#METABOLOMICS WORKBENCH shancock_20250219_181739 DATATRACK_ID:5650 STUDY_ID:ST003760 ANALYSIS_ID:AN006175 PROJECT_ID:PR002343
VERSION             	1
CREATED_ON             	February 20, 2025, 2:06 pm
#PROJECT
PR:PROJECT_TITLE                 	Untargeted lipidomics of combination gemcitabine/paclitaxel attenuated (CombAT)
PR:PROJECT_TITLE                 	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. This project
PR:PROJECT_SUMMARY               	examined the impact of combination gemcitabine/paclitaxel resistance on the
PR:PROJECT_SUMMARY               	lipidomics of Panc1 and MiaPaCa2 PDAC cell lines, finding upregulated de novo
PR:PROJECT_SUMMARY               	lipogenesis in both cell lines.
PR:INSTITUTE                     	Victor Chang Cardiac Research Institute
PR:LAST_NAME                     	Hancock
PR:FIRST_NAME                    	Sarah
PR:ADDRESS                       	Level 7 Lowy Packer Building, 405 Liverpool Street, Darlinghurst, NSW 2010,
PR:ADDRESS                       	Australia
PR:EMAIL                         	s.hancock@victorchang.edu.au
PR:PHONE                         	+61414537526
#STUDY
ST:STUDY_TITLE                   	Untargeted lipidomics of combination gemcitabine/paclitaxel attenuated (CombAT)
ST:STUDY_TITLE                   	PDAC cells
ST:STUDY_SUMMARY                 	In this work produced combination gemcitabine/paclitaxel attenuated (CombAT)
ST:STUDY_SUMMARY                 	Panc1 and MiaPaCa3 cells, and used untargeted lipidomics to profiled changes in
ST:STUDY_SUMMARY                 	their lipidome. This dataset includes CombAT cells and control (CON) cells,
ST:STUDY_SUMMARY                 	alongside internal quality controls (iQC) and blank samples for background
ST:STUDY_SUMMARY                 	subtraction (as described under sample prep). These data revealed extensive
ST:STUDY_SUMMARY                 	increases across 166 lipid species in Panc1 CombAT cell lines compared with CON,
ST:STUDY_SUMMARY                 	including increases in many triacylglycerol (TG) species and total TG. Increases
ST:STUDY_SUMMARY                 	were also seen in several TG species in CombAT MiaPaCa2 cells, with 30 lipid
ST:STUDY_SUMMARY                 	species increased in total when compared with CON. Data were analysed using
ST:STUDY_SUMMARY                 	MS-DIAL v4.9.
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
#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_Neg	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_Neg.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_Neg_20220922100435	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_Neg_20220922100435.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_Pos	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_Pos.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_Pos_20220922093322	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_Pos_20220922093322.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	IQC_Neg_Start	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=IQC_Neg_Start.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	IQC_Neg_Start_20220922110658	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=IQC_Neg_Start_20220922110658.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	IQC_Pos_Start	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=IQC_Pos_Start.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	IQC_Pos_Start_20220922103547	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=IQC_Pos_Start_20220922103547.raw; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	M8C_41_Neg	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_41_Neg.raw; protein amount=81.83384
SUBJECT_SAMPLE_FACTORS           	-	M8C_41_Pos	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_41_Pos.raw; protein amount=81.83384
SUBJECT_SAMPLE_FACTORS           	-	M8C_43_Neg	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_43_Neg.raw; protein amount=62.98929
SUBJECT_SAMPLE_FACTORS           	-	M8C_43_Pos	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_43_Pos.raw; protein amount=62.98929
SUBJECT_SAMPLE_FACTORS           	-	M8C_57_Neg	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_57_Neg.raw; protein amount=101.68031
SUBJECT_SAMPLE_FACTORS           	-	M8C_57_Pos	Sample source:MiaPaCa2 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=M8C_57_Pos.raw; protein amount=101.68031
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_34_Neg	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_34_Neg.raw; protein amount=79.05266
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_34_Pos	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_34_Pos.raw; protein amount=79.05266
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_36_Neg	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_36_Neg.raw; protein amount=61.26514
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_36_Pos	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_36_Pos.raw; protein amount=61.26514
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_57_Neg	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_57_Neg.raw; protein amount=75.58103
SUBJECT_SAMPLE_FACTORS           	-	MiaPaCa-2_57_Pos	Sample source:MiaPaCa2 cells | group:CON	RAW_FILE_NAME(Raw file name)=MiaPaCa-2_57_Pos.raw; protein amount=75.58103
SUBJECT_SAMPLE_FACTORS           	-	P28C_55_Neg	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_55_Neg.raw; protein amount=66.71797
SUBJECT_SAMPLE_FACTORS           	-	P28C_55_Pos	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_55_Pos.raw; protein amount=66.71797
SUBJECT_SAMPLE_FACTORS           	-	P28C_56_Neg	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_56_Neg.raw; protein amount=57.54543
SUBJECT_SAMPLE_FACTORS           	-	P28C_56_Pos	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_56_Pos.raw; protein amount=57.54543
SUBJECT_SAMPLE_FACTORS           	-	P28C_57_Neg	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_57_Neg.raw; protein amount=92.50384
SUBJECT_SAMPLE_FACTORS           	-	P28C_57_Pos	Sample source:Panc1 cells | group:CombAT	RAW_FILE_NAME(Raw file name)=P28C_57_Pos.raw; protein amount=92.50384
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_33_Neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_33_Neg.raw; protein amount=102.66325
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_33_Pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_33_Pos.raw; protein amount=102.66325
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_34_Neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_34_Neg.raw; protein amount=77.17731
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_34_Pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_34_Pos.raw; protein amount=77.17731
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_35_Neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_35_Neg.raw; protein amount=57.68309
SUBJECT_SAMPLE_FACTORS           	-	Panc-1_35_Pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc-1_35_Pos.raw; protein amount=57.68309
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were obtained from established immortalised adherent human pancreatic
CO:COLLECTION_SUMMARY            	ductal adenocarcinoma cells (Panc1 & MiaPaCa2). Cells were cultured in high
CO:COLLECTION_SUMMARY            	glucose DMEM containing 4.5 g/L glucose and 4 mM glutamine and were supplemented
CO:COLLECTION_SUMMARY            	with 10% FCS. Cells were cultured under 5% CO2 at 37ºC and routinely passaged
CO:COLLECTION_SUMMARY            	every 2-3 days (when ~80-90% confluent). Cell lines were regularly screened for
CO:COLLECTION_SUMMARY            	mycoplasma infection.
CO:SAMPLE_TYPE                   	Pancreas
#TREATMENT
TR:TREATMENT_SUMMARY             	Combination gemcitabine/paclitaxel attenuated (CombAT) cells were produced by
TR:TREATMENT_SUMMARY             	serial treatment with escalating doses of gemcitabine/paclitaxel (10:1) for
TR:TREATMENT_SUMMARY             	approximately 12 weeks. The final concentration of gemcitabine for Panc1 cells
TR:TREATMENT_SUMMARY             	was 28 nM (2.8 nM paclitaxel), and 8 nM (0.8 nM paclitaxel) for MiaPaCa2 cells.
#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	M8C_41_Neg	M8C_43_Neg	M8C_57_Neg	MiaPaCa-2_34_Neg	MiaPaCa-2_36_Neg	MiaPaCa-2_57_Neg	P28C_55_Neg	P28C_56_Neg	P28C_57_Neg	Panc-1_33_Neg	Panc-1_34_Neg	Panc-1_35_Neg
Factors	Sample source:MiaPaCa2 cells | group:CombAT	Sample source:MiaPaCa2 cells | group:CombAT	Sample source:MiaPaCa2 cells | group:CombAT	Sample source:MiaPaCa2 cells | group:CON	Sample source:MiaPaCa2 cells | group:CON	Sample source:MiaPaCa2 cells | group:CON	Sample source:Panc1 cells | group:CombAT	Sample source:Panc1 cells | group:CombAT	Sample source:Panc1 cells | group:CombAT	Sample source:Panc1 cells | group:CON	Sample source:Panc1 cells | group:CON	Sample source:Panc1 cells | group:CON
CL 18:1_18:1_18:1_18:2	1.8511928182149442	0	0	0	3.135602875134703	0	2.6601236512403927	0	1.9760572940844665	0	0	2.418846119509189
CL 28:2_40:2	0.4429993020916248	1.155133707	0.5839895905573436	0.4603331863862908	0.9177645196607738	0.9465437718750289	0.6402160696520328	1.0746508013324991	0.3471656607664906	0.9034784615404783	0.7253386737572134	0.5748682294968765
PA 16:0_18:1	0	0	1.5910270550214105	3.6149391961379767	0	0	0	0	0	0	0.9018121803915333	0
PA 16:1_18:1	0.5258110292648576	0	2.8548049475466275	0	1.9632167133036496	2.9853567331629938	0	0	0.9610355583968613	0	0	0
PA 18:0_18:1	0	0	1.4170321073937004	0	0	0	0	0	0	0	1.0219777543620616	0
PA 18:1_18:1	0	0	3.3477760298279304	0	0	0	0	0	0	0	0	0
PA 18:1_18:2	0	0	0.8620675194011787	0	0	0	0	0	0	0	0	0
PC 14:0_14:0	1.3501448928707758	1.7745068838407558	1.2501612585396469	0.9045727192468104	1.318457287345424	1.6100879437873719	1.357270597557618	1.5822697126777394	0.8037392995539303	2.279182895126383	1.6649700434527448	1.2557558876920942
PC 14:0_16:0	12.184949420939695	22.323985504651066	12.399548668620533	9.700323191098136	12.15837765234172	15.261415884175259	13.218454514881794	24.48489062645308	8.428343472132687	24.032821197583374	19.308788082220534	14.403330353225076
PC 14:0_16:1	1.9760543910259725	5.157558502	2.6770791574344446	1.9174798324236424	2.682730771636012	2.868525127975862	1.5620251176737465	2.869318170683596	1.0748298825568592	2.848348001266763	1.788933928	1.2148408487164246
PC 14:0_18:2	3.352004783943456	7.096678327918294	4.053078744029027	3.4350595350149815	5.0551259613319095	5.967102818154678	3.7085889060914847	5.903003653913307	2.5596482088155335	5.2645329421133376	3.284075363520146	2.936138514170538
PC 16:0_16:0	13.258609616021639	22.529207357710188	11.442894778059461	9.544010324	14.160800094650718	13.081507831567714	22.669530643441583	28.325628892081845	10.584696581976637	32.04508804053916	29.723274631047655	30.869989985014165
PC 16:0_16:1	24.884756731400994	44.09796337580405	31.88011087451681	20.770983877529588	34.7217822	37.90464916654968	33.345777337596914	46.13060580853291	18.806654795920988	44.49916697400407	29.87015925994259	26.2693499
PC 16:0_18:0	2.334380837	3.0768966988633855	2.242722837043129	2.143773320736017	3.664939159038955	2.384532642	4.966123439504136	8.173138531581857	1.897075554187392	6.053696283782917	8.328179986154286	9.742707384704453
PC 16:0_18:1	55.92974185801181	101.93905975836014	63.126888448338285	46.457442326953164	69.43018708018623	91.95309930529581	107.86642499637696	128.02293056525085	49.63319218273803	110.84322473758243	105.47223634138017	74.49216398535287
PC 16:0_18:2	37.290365739568514	118.29139705988369	73.09287622764968	66.1729263	51.29429890651584	108.33185466505012	62.91602441303165	123.80335698928593	29.216840346587947	54.82557943245968	44.93008428232858	31.91478276818741
PC 16:0_20:4	0.9073711110886157	1.592980897072347	0.8822847858927013	1.178850068375057	1.1632697276953479	1.3640140762945356	1.5982898895895807	2.470557850601701	0.8572158234826301	6.7502836	3.163827051503159	3.993912539787366
PC 16:0_22:1	0.6574778403942918	1.0604840581514647	0.4818944399787227	0.5084036881680988	0.5646071873468449	0.6155004808912546	1.2200376834161237	1.5597480757081805	0.6500639770944233	1.2013351610940055	1.477058516428904	1.222023152248112
PC 16:0_22:6	0.068273354	0.12090054792936851	0.080135281	0.070673441	0.049761949	0.10648259274148458	0.091159801	0.25918062373894857	0.057196281	0.49717752795192305	0.5028385129762979	0.4033354128238053
PC 16:1_16:1	1.3123407508548084	0	0	0	0	0	0	0	0	0	0	0
PC 16:1_18:2	2.6900757703910827	5.753436998810506	3.2600485597062883	3.4138838148450783	5.490402262159453	5.328704805523642	3.094637918319087	5.145249215131588	2.0795978282416447	3.515656387546906	2.588436139360372	2.1759322239987786
PC 17:0_18:1	2.198956147543211	2.609234948624508	1.5605701738806501	1.5878184878371338	3.0657755586853597	2.570792475509219	3.715620518431004	3.668063711356575	2.612642248644153	2.1293425266054955	3.984735531882875	3.2276060006496254
PC 17:1_18:1	1.5319500219061277	3.218464512405852	1.8373717615589231	1.8946738845726192	2.7652672917161407	3.0176607654104686	3.989869917735225	3.949957308576899	2.1337400781340454	1.8385969652438936	3.0301361579900488	2.477821694251374
PC 18:0_18:1	15.031075035569133	25.786101729813225	12.60860064704315	12.941466658577694	20.54886618244338	17.297257396700026	26.305342234757017	34.58491269211798	15.19848080123281	24.433950187076544	26.862119964345002	23.108740852783672
PC 18:0_20:4	0.550219935	0.9534346726618099	0.378072901	0.4262658570705612	0.5785984706301673	0.8196410004948915	1.0495716972218407	1.7959411494004558	0.48515809350057176	3.2614391956807887	2.3374800301242615	2.930441604
PC 18:0_22:4	0.3968485493118079	0.6303658333455303	0.30405465899953765	0.3505215785270443	0.48312258914387135	0.5165756904769915	0.8670898790752527	1.1949502755018662	0.5258024062304862	2.892691703802348	1.8909865138629276	2.088255434
PC 18:0_22:5	0.12054485998123728	0.214584416	0.094877748	0.1470917910093203	0.16798511879380018	0.15527836467612421	0.3367465493588627	0.4522287591561814	0.15210201239510723	1.4280159744531569	0.8546469998710993	1.1249907365620617
PC 18:1_18:1	49.155435027817596	91.64687687289832	47.45459817798603	44.09447493	71.40388658084517	79.01388982721107	73.88484983858439	112.39738605999993	44.42778291473329	63.080578866046515	66.52054406792602	61.48210002371801
PC 18:1_18:2	29.21161585	53.95805589893077	29.904318567273016	29.35730472	38.35739033733897	46.20992037860849	42.660252473808406	69.00945186008909	21.487999893609153	30.39627389684043	26.03345751241367	24.678991412764688
PC 18:1_19:1	0.7132363865545153	1.4030763364512966	0.6458010938396459	0.6356118733731476	0.87556016	1.0469051483684921	1.133173849256862	1.594201943121661	0.6581391168577193	0.7423982094299955	0.9262715759947261	0.6807798679633507
PC 18:1_20:1	6.289246553071316	11.274059735641117	5.433151686631927	5.170849899763577	10.583767313485467	8.302877809399908	10.243496315800028	14.800487303923386	6.273082596451817	6.885915945	8.926074657714262	5.895378603269583
PC 18:1_20:2	6.1955705886341494	11.068037817018373	5.228483255765365	5.610942415	8.105899372884522	9.711756930016428	10.345555920801194	15.26224647114705	6.274056365894227	10.043886393577578	12.538469146903061	8.691179656415043
PC 18:1_20:4	0.8571883261206942	1.4974140070089246	0.7670608856742654	0.8084160075719276	1.0783560238429553	1.2623823714629614	1.5820128209339928	2.3593583880478635	0.8572170556565449	9.431076478	4.485931477080162	5.147523977908565
PC 18:1_22:1	0.7182992515218646	1.2009680390338526	0.6746695353226263	0.45803148453796894	0.6372951031083653	1.133738047	1.193931944	1.6207688154679547	0.6501389636783832	0.8906380648896342	0.9973110274712237	0.7521504263473544
PC 18:1_22:3	0.4539456238259494	0.9595505542499554	0.38630873940366894	0.5743038912719239	0.6266572722566977	0.9424860150935969	1.0937524331556019	1.788706201418859	0.5687089902680383	3.352751726248948	2.2169999916273766	2.3874266306175307
PC 18:1_22:4	0.19173233356421732	0.4239616173845012	0.16033205628225103	0.22906433663013354	0.29462480366207766	0.29212591859827436	0.44474333914351094	0.6496071115221312	0.2721909143088769	1.538905575331805	0.9334138263243434	1.2487479549844613
PC 18:1_22:5	0.022008526490671705	0.023328896	0.010162373278535603	0.016664310189167662	0.026515882576017426	0.022985604225375513	0.089626163	0.19513954176090634	0.055703062192807365	1.0438366700737252	0.6046110709839226	0.9749833725779888
PC 18:1_22:6	0.1351563298505629	0.17088472065127192	0.1083948211815616	0.10610422522256382	0.12577670595207122	0.1475079395945017	0.19569288019298567	0.25756669159092854	0.12011794601319074	0.8381065016671786	0.7742776533550273	1.0272205719100524
PC 18:2_18:2	2.381760676827457	4.360826325689804	2.6734210766851447	2.6434362732829744	4.758676356437325	5.079638445292668	3.6874601858668568	4.322877372612665	1.6713434052876923	4.326233289806409	2.028814856160913	2.667013014646681
PC 18:2_20:2	2.312824714905927	4.1130595521226825	2.147009479218818	2.411206299556256	3.233565651847435	3.8727828183387514	4.221278238365647	5.8563608992243426	2.2878427889171555	6.752746027016139	5.682260394391431	6.218400043
PC 18:2_20:4	0.1736391951951788	0.2829810440833137	0.15044815483860463	0.18569769435962674	0.28430023035532365	0.25577301428323607	0.35023460661487643	0.4233525533817573	0.14502634170158765	1.0751932324384594	0.6236474930198448	1.0318866123173258
PC 34:2	0	0	0	0.9195382740083148	0	0	0	2.6742745862065616	0.2951866240317593	0	0	0
PC 34:3	0	0	0	0	0	0	0	0	0	0	0.9379804888002162	0
PC 38:3	0	0.8159648413549059	0.6449000983151617	0.48851512595448615	0	0	0	0	0	0	0	0
PC 40:3	0.7112002165685692	1.2785608234274028	0.5841669673814935	0.549488227	0.8589335599740231	0.869615235	1.3866261602158576	1.7197655174040622	0.694710567	1.7363097185516398	1.6983404908045547	1.3446641926558711
PC 40:6	0.12981459507784318	0.2772006032295603	0.1202864053090319	0.13545134042755036	0.14051311640533387	0.19482816876676087	0.22464057375816712	0.48880177959782845	0.11442354227820158	1.066321005537421	0.39017297616693913	0.5981519837759279
PC 42:2	0.512541682	0.8124510339753214	0.63764329	0.3675220625671767	0.460206507	0.5557906219451637	0.7882694944967533	0.8747263678219926	0.494286918	0.3464394129963182	0.37326030591973625	0.22619410595066097
PC O-16:0_14:0	8.837442054895915	14.09641603524603	5.590700970559939	4.381317596285358	6.116023199382856	6.2248870399447664	10.712522901653214	18.203192707849787	6.569711216013623	11.251023172407919	6.910133766621226	6.843600319786374
PC O-16:0_16:0	20.828474195010724	25.14199158460134	11.705422884154608	8.514815157	12.064087891656554	9.712023776502631	33.04600541332104	37.07936621862758	17.042366047889434	19.153892461957646	14.472798906570599	16.670775525044785
PC O-16:0_16:1	9.597381893511649	19.05036857990543	8.562329381510345	5.638140603438982	8.060494517	9.337327930887728	13.558314930878419	20.935797183476215	8.143232862277072	12.568133082455578	10.91326128858801	7.671584651638335
PC O-16:0_18:2	13.224382668259487	22.435849296712398	9.286692809	10.184079948589062	11.209174596897896	15.558820893850342	22.692331923425808	25.60375949307464	10.817866660700815	8.751154770209903	6.940010585724657	8.467580297521346
PC O-16:0_20:4	2.497434657586751	4.500687595443856	2.242848742897199	1.8997654099423265	2.2374344112073894	3.530254790829776	5.582029064726652	8.318176231986984	2.6108818241695433	10.987521519841001	8.444657698694943	8.500060361
PC O-16:0_22:1	1.2186031267621835	2.4368543199462342	1.0680640304579416	0.7755793646947157	1.1284555615145058	1.0049425525269875	1.736165737566239	2.423773472210636	1.0878884617062843	2.836939099973774	2.2055811954833944	2.4312950540984617
PC O-16:0_22:2	0.5352861537818426	1.0767073909021467	0.425164609	0.32843150858172937	0.5143673680805455	1.0531845851398873	1.0294687910609592	1.0677837521340563	0.5096493103063745	1.157546376	1.098263677	1.483253509392045
PC O-16:0_22:3	1.7190270514832064	2.8817350024507205	0.9329117827933147	0.8727159369467373	1.2701262862017113	1.3553468235517694	3.2231861432049587	4.674855626527203	1.8030881443612696	6.7883885942042275	4.345641575921839	4.626316276665566
PC O-16:0_22:4	2.2833359846827603	5.8548224280878545	1.1545685523838412	1.1575709100971654	1.6856977750535687	3.2859834516335225	4.324043461133205	6.129665741482174	3.484879328297696	14.183625370623602	5.260123837970953	11.219871905868665
PC O-16:0_22:6	0.1548456124825005	0.23774340154427645	0.11254193038723875	0.083652984	0.108006563	0.08929597	0.35236458965640416	0.490046912	0.161212354	0.7301367556975643	0.8191417952513138	1.0967013736920757
PC O-16:0_24:4	0.4805069217706295	0.769343396	0.24198813252941895	0.23015474668518576	0.35064506099926585	0.3743724749961524	1.059762918527317	1.462550861872641	0.5741849471704117	5.540092998248199	2.8177230713562347	4.487893141125703
PC O-16:0_24:5	0.19738727135955159	0.2657277418714173	0.071144397	0.09756153	0.097574023	0.18443495820929026	0.31939030058996914	0.6201436009259348	0.1915699510860438	2.6130273872679886	0.9228302237728156	1.8779294145797978
PC O-16:1_14:0	1.2619113272650517	2.1027798715741572	0.8887894676208682	1.1057007933657177	1.225667285173224	1.225661403029022	1.9896815795366145	2.5487774883557583	0.9669923098534527	2.163000108958245	1.7800265206305468	1.583897550913299
PC O-16:1_16:0	2.8204123705066166	3.1287275472731886	1.731848060888861	1.2292306763514609	2.0476022398243248	1.8202068762937313	3.377738881668822	5.502333437048797	2.0913011921095954	4.109696914315295	4.5232486115764035	4.2291445824227605
PC O-16:1_18:1	3.9588665868665083	7.169256579871214	3.6515449316567614	2.578566572329991	3.267431681721221	3.415475967122524	6.698445550881895	9.450510911426646	3.2775910626546323	6.436312521554329	5.7547284182169545	3.6826892825477766
PC O-16:1_18:2	3.253327848	6.271260276206572	2.8132608362706746	2.9655757279541475	3.7640030559486672	3.128632425887836	4.90625732	6.968761320023433	2.274858316227465	3.0918848836065793	3.2413982549183027	2.9376880599866433
PC O-16:1_20:4	0.45853436341230863	0.881922299	0.1900656869880947	0.18566127552577222	0.25260761478283855	0.5489952381499517	0.8959388878027574	1.4760126282992494	0.47369289124787367	2.2125159414388325	1.4669255271113726	1.9046678666957206
PC O-18:0_16:0	3.908998406277007	5.628230898269463	1.9542096697428175	2.1425816275335583	2.476430909630344	2.080083148	6.6956442568201195	8.604993709592994	3.306846743939414	5.019104045442748	4.788710553887904	8.463623342382926
PC O-18:0_18:1	4.516345078308894	9.898733456497512	2.6871568799455607	3.368765405116564	4.393326438839442	3.863394225648674	9.808236886	8.436887531311424	3.407582242222554	5.844911001295763	4.318555257225407	4.520627083219379
PC O-18:0_20:4	0.6229596441838159	0.8200698301854427	0.29467068358232756	0.2685093816315019	0.36853229491399025	0.5411032204576207	1.0677047184898716	1.9059191797806667	0.5543897211788914	2.747537306963002	1.2753962544897628	3.105413683595352
PC O-18:1_16:0	28.192480540352996	45.01889095108284	22.323960855962287	14.435404935099937	27.523240906240474	25.919031545403396	57.64754630186901	68.60803537	36.430837524159635	33.171471542983156	27.769855256194457	24.25990871072669
PC O-18:1_18:1	12.338982714173387	22.489530324107587	5.713292795734752	7.910695662	11.019256127623212	12.982402295380776	18.31766611	25.76926846607647	13.308531612894292	10.37781191209643	8.314137606	8.857195695232145
PC O-18:1_18:2	3.703115882	9.743474318463182	2.5698910475374026	2.3715306737724955	3.5573443163672733	3.883288748532635	6.032777778605861	7.557789905	3.2027484670178423	3.730851147006849	2.0511125685498013	2.525452569211799
PC O-18:1_20:4	1.1783648297113998	2.699833724939004	0.5566587761611796	0.5714789534435286	0.7044036891014964	0.8431271061962371	2.184694254	3.6075453021973125	1.2869723853498392	4.3728321727062305	2.1402697902520726	3.8320152012566324
PC O-18:1_22:4	0.29036909755420437	0.5409135111336958	0.14808649572734295	0.12330490510086686	0.21807971429534595	0.23043015655350532	0.6995018476964759	0.8742824208701017	0.3861805553442114	2.0777635882405923	0.8622545374070544	1.4811955241868182
PC O-18:1_22:5	0.10941015386630396	0.28992326596623436	0.056707646	0.097950932	0.076697536	0.12700183874154494	0.22537710995009727	0.5107846684434779	0.12621456651895113	0.9915975765635509	0.5509006637198269	0.9667531379295299
PC O-18:2_18:1	1.6252023097713155	3.413017072967943	1.5464681344264806	1.2296056394929213	1.7143741462554893	2.3108862983479304	2.7249166563537135	5.486039774636104	1.6683367249106493	2.813225487838591	2.711891937165072	1.954339323902416
PC O-18:2_20:4	0.18555212090097842	0.3339041005317661	0.14546310033521054	0.15578210055281652	0.1512205178039909	0.18646654069415344	0.5992829478650225	0.6322561848190622	0.2237721122508862	1.0481995046890478	0.8041544724584587	1.0509118000361444
PE 16:0_16:1	0.9734152351553519	2.0436208889989875	1.7576708196475666	0.9313152480914483	1.4663539691578973	1.4800660340133946	0.9543165788162853	1.4280213993449373	0.8857699699401553	0.7303978029187411	0.38556561734546846	0.3439528008335821
PE 16:0_18:1	7.507220770672463	15.43030502431901	11.522755841779384	8.101226640967132	13.523015219644346	13.664936535760463	8.284567079543525	11.919994507696604	6.755199519500717	5.250549246350906	3.939440058230783	3.4862791268520135
PE 16:0_20:4	0.20448971154345177	0.3647211860335319	0.3067579441846584	0.265046574	0.2992627533492214	0.2759504114146482	0.2933794596486153	0.38171152326614216	0.21212410606785198	0.6270739246697121	0.22518048293006726	0.3651534034550821
PE 16:1_18:1	5.145668816681537	11.08937000909693	7.929066560294859	5.5586761316054325	8.387208320664607	8.783328911527121	5.461549933192933	6.582751689053325	4.387824387567883	2.642887760488504	2.0268857893987233	1.666217101879181
PE 16:1_18:2	0.42814057126954164	0.8054879169042374	0.7382397612696661	0.3967085047358331	0.6534273291218273	0.7261090093788107	0.3033575455807235	0.3787588868521068	0.3143595573805836	0.29969713431062345	0.19022429620334902	0.1404011730842253
PE 17:0_18:1	0.44832874074074275	0.8116002556477998	0.6704329180219974	0.68788228424751785	0.8874339666203785	1.0430891269012652	0.4022097432855612	0.629664138	0.38330666511623335	0.3534682225086307	0.2875546992260481	0.3378167165283319
PE 18:0_18:1	10.780665441146397	16.252075499158007	12.68671728732227	11.232316382585193	19.569037966161865	20.405153125538018	11.15539209145779	14.896222035270629	9.026015360266552	12.791506224818022	11.052847386427068	12.625983644397826
PE 18:0_18:2	9.827290408956065	20.881882019454455	15.020067629985673	15.192892586180024	24.228146425578824	21.71491525	12.494493319123976	14.92735377890509	9.108663041097827	6.804173268606521	6.229834641705259	5.9906120986908835
PE 18:0_20:1	0.30729034185722726	0.5423715823221446	0.35218369554547035	0.3310960804959395	0.4942276054391548	0.4978904406287366	0.3723478943813436	0.37630436949074325	0.29195099769257343	0.3696534913473025	0.3331385411517572	0.3903287686386108
PE 18:0_20:3	0.7613025909759217	1.4466196771156439	0.93051704	0.9678683881188457	1.3154828779559944	1.495783809391515	1.2970233659644943	1.5894694879065387	0.9590585764065978	2.0757407735586226	1.3075743229678476	1.787450928030536
PE 18:0_20:4	2.183668266236345	2.969213583661627	1.6130900860643547	2.113346756	2.927815874012588	3.0976521007623643	2.8144295923465146	3.495569449667016	1.810612622356451	6.986094504806396	2.897504001104498	7.198159415473583
PE 18:0_22:3	0.031924245212685706	0.063280087	0.033406060037723624	0.039676072604094906	0.048035133	0.05983981	0.076918771	0.10277199963457555	0.056979007	0.5449711296848144	0.33603583145024946	0.23607760217974555
PE 18:0_22:4	0.2550382762819324	0.26393037798190305	0.23629952291042464	0.20775733880400948	0.30451564746211957	0.28179774187024365	0.444487819	0.37393856542462456	0.2685837420929936	1.4395155518404243	0.7328899933413301	0.7823518320651395
PE 18:0_22:5	2.969617482122056e-4	0	3.629249827194887e-4	0.008439751	0.001293794	0.006308001	0.034516405	0.038852938	0.022309086825412227	0.8428066489170026	0.21266307048434466	0.7440537102965803
PE 18:0_24:5	0.036936161	0.066597436	0.040693457279758226	0.028326708	0.049464663	0.062869551	0.03872287	0.06832196	0.035179295287634194	0.17779543114352814	0.059153413	0.18476682240443212
PE 18:1_18:1	18.450790476886198	30.43883552317406	23.963341605843354	20.13907990822605	27.173499881845476	35.93156499017733	21.35253052876575	29.766613338448785	13.875350784495673	9.993273405835978	8.590162314702722	9.062963514766887
PE 18:1_18:2	12.043705480443808	23.237698776408944	17.958118301905497	13.96313041167418	22.422595423483685	25.47906562129058	11.901155876229105	16.15397926626345	9.461476276001642	5.696878590016902	4.972588140590069	5.271363955
PE 18:1_19:1	0.2831363956907904	0.5369843962106323	0.3986329779220875	0.303349029	0.5244397152863496	0.5801745495668535	0.38174516257890184	0.5478195870241344	0.3483892720413873	0.19526037510693728	0.1943946902196375	0.1832829127469936
PE 18:1_20:1	1.6802658089443674	4.237254581242829	2.4449021207532473	2.0556132454004348	2.8460335738061824	3.3682199402497095	2.5616983757298017	3.7055302904451985	2.371434495315903	1.7139425517654532	1.6371662107086773	1.5328717949728887
PE 18:1_20:2	1.3411431222769035	2.7187657044300395	1.565151859971541	1.5204727608942292	2.454196217039396	2.685275537770633	1.7905370666021825	2.202743801	1.553392566578927	1.658337954124288	1.2359517834570866	1.3854264791704543
PE 18:1_20:3	0	0.8960049125315208	0.3116085209381218	0.6555732583645806	0	0.9239945073392125	1.0508993553026844	1.8800210415885807	0.753974634	0	1.4143739167739129	0.7743698125690215
PE 18:1_20:4	0.8044909793596796	1.2854630810806102	0.9214324283815987	0.7592412197269807	1.0694900651166495	1.178265491061957	1.2160061110846194	1.6480338573399453	0.8939243263702032	2.9273034009886523	1.3840355444377865	2.710899057884179
PE 18:1_22:1	0.5621276717367897	1.1997526086788626	0.8271363691103358	0.5077606571723912	0.7992577263718665	0.8563259757407814	0.7315868266957551	0.7800390990184705	0.5938866041209366	0.4285526826567876	0.31945588873382763	0.3632396760840721
PE 18:1_22:4	0.12568597372327112	0.2510222893449267	0.18081911618637247	0.15467339684601547	0.2295452410327182	0.28883551387010054	0.25059606819820035	0.30031350194661466	0.12466392169528111	0.6353075471758283	0.40725020208690715	0.4646881250888527
PE 18:1_22:5	0.016268771617126643	0.024394094	0.032196849	0.035793960487928995	0.043750659	0.084262963	0.021020653	0.037375486	0.022031143202853404	0.6455371807981586	0.2178346113956151	0.4784285296008566
PE 18:1_24:1	0.34868941568882444	0.8411402125179371	0.5651481472005152	0.3502165665064647	0.5463855096620913	0.5057004137866117	0.358564335	0.395406137	0.38440183392600247	0.13958086317246987	0.1081884271454827	0.09289147
PE 18:1_26:1	0.11959825788492091	0.2218728772738265	0.22386395760862163	0.13244574318109203	0.15281097672467614	0.22459099945463062	0.12148665497826279	0.13222045642134495	0.12264213979348362	0.017866905649024597	0.007858555	0.00447696
PE 18:2_18:2	0.7683478027050865	1.1322905997277528	0.8309795687789756	0.7468714705064807	1.1173876705791048	1.3315251486060091	0.5909823964040195	0.765361144	0.4911064703668971	0.6035449088389474	0.46312611446088925	0.6735327674746222
PE 18:2_20:4	0.04431374	0.067072985	0.046549168	0.033774474	0.056137597369628145	0.060766085	0.074335672	0.084627778	0.056749107	0.36253499824666585	0.113185283	0.3512125532675823
PE 22:0_18:1	0.10331834162943757	0.22809911787569762	0.20125653119990095	0.13042231540399601	0.19010645329750678	0.2210199567499803	0.12083905234322602	0.11282379114078314	0.092271721	0.079264432	0.056663357	0.070824224
PE 22:1_18:2	0.26052718212857867	0.43982239320864586	0.30886190395094815	0.26993931595160786	0.4335303011493409	0.472445863	0.32958418690159846	0.44280552878439083	0.2862664540965103	0.37555363070926084	0.2559312296581756	0.20651460476565234
PE 24:0_18:1	0.22236193943614457	0.34644754249849063	0.2902542805973276	0.22501569189871184	0.2771602710908593	0.3622223938029905	0.18531291407365805	0.1929855778764754	0.1592092185515275	0.073373389	0.064099569	0.060516627
PE 24:0_18:2	0.14887445129606883	0.21736378323319128	0.15565802252164707	0.1227988916339485	0.22901518830979672	0.16373018649901264	0.10987845507511332	0.092497815	0.099015723	0.021954794	0.018754351	0.011854966359023097
PE 24:1_18:2	0.26750201118012173	0.4508972365059622	0.30493246023967896	0.2858515417434914	0.32356459626397593	0.4294585886084968	0.29000014368398025	0.34169921276996373	0.2079925966458661	0.11528073091201574	0.078857043	0.098792448
PE O-16:0_16:0	0.3113090127206636	0.386160422	0.3088958272060095	0.21878391664462182	0.33861128886404346	0.23499386565751956	0.5103921430878894	0.5049008268000501	0.3785804143812431	0.00225121	0.010852884045376477	0.001538959
PE O-16:0_16:1	0.34946619698228604	0.8229370394204547	0.7182931565257945	0.3304644982963298	0.5852541325764304	0.6800392740260647	0.5605021896211888	0.6133072535636579	0.3784888413083815	0.033608514259561004	0.043526097603716604	0.015984427617842672
PE O-16:0_18:1	5.386612468833761	10.35585420914757	8.231415019785912	4.436264505780303	6.9977897135201035	9.392774085712055	7.182356955496682	9.133922969888442	5.9615714878932815	0.40893208756879124	0.47763359354274354	0.35706115795177784
PE O-16:0_18:2	2.1956597256521726	4.678519843985954	3.1546706684119408	2.118158604007029	2.9091990256230322	3.5759727819231664	2.3277881282688195	3.095269266693506	1.7673873912223945	0.7620101016574677	1.0752520140003998	0.4668495742609843
PE O-16:0_20:4	2.608592409148158	5.288412921096188	4.345013816593332	3.1004462797760284	4.640211901	4.483054561489858	4.067206344840875	5.032964581843556	2.6453223013360274	1.1509098210308777	1.2198809420438539	0.7749976548087982
PE O-16:0_22:4	1.1655135662219454	2.5645209570668444	1.4328701909733377	1.360003981549517	1.7050992063706203	2.429963957306653	2.183913768649457	2.375948928154655	1.4707501254041087	0.8062266024913419	0.4350447812662232	0.5306754021493382
PE O-16:1_16:1	0.5441370534935539	1.4457672721107353	1.0792797572715547	0.5309018880845504	0.7783498325306022	0.78363137	0.5646465090459271	0.8545802274862785	0.49259332364940794	0.40074394509066874	0.5952965073089209	0.23091010501972425
PE O-16:1_18:1	7.696954981031653	16.904126797313932	11.521831477950993	5.9204014855133344	9.040257629	9.013101468149774	7.6098764888692765	11.846874534846528	6.218323682654178	6.027371426608568	7.474789037101073	3.968418386313292
PE O-16:1_18:2	2.8871656326637996	5.9938462516783515	4.677331542433748	2.8047642744059904	4.116504320810125	3.6299577201096658	3.0424382339012124	3.4417170808104154	2.100410564600435	1.0456012250209004	1.448300257840126	0.849821426
PE O-16:1_20:3	1.1171228606532828	2.019504620913055	0.947617592	0.8097305510668276	1.2560365697210216	1.2903333338213645	1.2268635081065062	1.5890783825341819	0.846424342	0.9805765893568459	1.0767046310276422	0.7161694613433798
PE O-16:1_20:4	3.193271513783679	5.906855059346054	3.221131889208843	2.9931478538696625	4.107436569203052	3.869494646194565	5.698603991969465	6.898332592251146	3.743022913105595	10.859813884013183	6.611624249155495	8.650571704643612
PE O-16:1_22:3	1.090392874	1.5613431835474605	0.9514556757836574	0.6782523799918458	1.124114147076098	1.4032138344259666	1.7669603095328357	2.162719115734797	1.267788405058676	4.818592817958614	3.176850697630987	2.8784834934874644
PE O-16:1_22:4	2.094349519	4.217538490657947	2.520359331097701	2.111288891319027	2.7366608654045854	2.8195887084681774	3.415619463240841	4.785822326	2.7517231586175215	8.864377196	4.2791066923895125	6.701719892584031
PE O-16:1_22:5	0.20032384572571968	0.36673559278581325	0.23684193601516168	0.23083304675786284	0.277818181	0.3194001886215518	0.47559214834177815	0.8787053636902082	0.3465932790278692	4.601468098247789	1.9586931612377794	4.245685089943718
PE O-16:1_22:6	0.4734151502256853	0.8130338305202497	0.4034279133577253	0.3771466994316961	0.4911636858144296	0.4956964758928121	0.7496308414091898	0.9633381959326152	0.46380786022201753	1.3924743835600613	2.1445926274627434	1.525413380868133
PE O-17:1_20:4	0.06463513	0.09106048	0.061687823935907174	0.073900438	0.093449549	0.087254925	0.094536487	0.11948861709395668	0.061128572979494006	0.22865804600076606	0.12820497888834312	0.4014900120113655
PE O-17:1_22:4	0.014622194	0.013030440188037723	0.007204204	0.004224014	0.013691476719300743	0.004403154	0.020396109	0.015709747701758637	0.011799948173151938	0.035723693	0.006868	0.02888138
PE O-18:0_18:1	3.9049832073679096	6.759051863824962	5.266304628846659	3.060886177881597	5.584732187508229	7.050340356054144	5.730845773527454	6.562619174003561	3.924255697510637	0.21592046989094055	0.26685225866917706	0.028341718740251154
PE O-18:0_18:2	5.651112800264489	10.706261615657759	8.195971859307349	4.8456357902298715	7.784582068238157	11.82715811229779	7.269211070079317	8.073602144710545	6.1805730058073785	1.7197568411869293	1.7490300268401482	1.3001807435064179
PE O-18:0_20:1	0.6283580285629486	0.9631476920904277	0.7990611062965336	0.49890717533995244	0.7229652323568811	0.9619588088500375	1.086427516363788	0.972611088	0.6859039998501607	0.086543996	0.095087694	0.073625238
PE O-18:0_20:4	1.6210366853898581	2.815579411096753	1.9700022166962556	1.8309812322981787	2.5567187998206284	3.0488627456685364	2.373489527771243	2.8175344312677018	1.8327981338995596	1.782990228063051	1.1595470249586655	1.3791488213461471
PE O-18:0_22:4	0.27297934374847455	0.48179489000762865	0.21955211445339395	0.24183784929954952	0.3367247667572943	0.4171097134632127	0.3804779366671375	0.5446527489600872	0.29216251859326786	0.34791822826106816	0.19341947735157342	0.25742742405490476
PE O-18:0_22:5	0.18726507286727026	0	0.40546797535257684	0.4450895733104616	0.4813064958867487	0.6729641465485016	0	0	0	0	0	0
PE O-18:1_16:0	0.23329208636846552	0.2705985375147486	0.1970457398573692	0.13768304743039872	0.21617519831262152	0.14715986	0.32187875598311044	0.30253586585165954	0.23071497145064584	0.26016987986866635	0.2972154747127712	0.36472906518464243
PE O-18:1_18:1	3.015866702566487	6.765348575	5.990328482132231	3.211621300075756	5.082220001267305	7.102047667331064	4.014717912	6.086727594748596	3.844765756101198	0.726665886	0.8998791147854193	0.5534446546534546
PE O-18:1_18:2	1.230273174	2.620621340148606	1.5890130109125542	0.9068320281685739	1.7591271580886474	1.839046677171817	1.3483079831476195	1.3285608979611543	0.9897947236281589	0.3124926591302746	0.4572612861393403	0.24528752665302783
PE O-18:1_20:1	0.5490221771252295	0.9462209295801921	0.47680741407373384	0.31931938794618064	0.47752360272062827	0.42742574580094295	0.7301328842622086	0.8670778218847686	0.5836190539364282	1.099985986989891	1.0841592229872516	1.0033884902769932
PE O-18:1_20:4	1.8147849373011664	3.130550496140006	1.8208096255618635	1.9800402476596446	2.7387677354422655	2.7958681915708112	2.840941791841893	3.5671534101968674	2.0804866096996406	7.968153334266594	3.988450618	9.616677682
PE O-18:1_22:3	0.3731498394100703	0.6745061876527909	0.3717206186508369	0.3693359686785818	0.5040103014706413	0.6641994237660815	0.6245594541723735	0.6775281848775626	0.39723560662331825	1.3871480079669931	0.7498260032381374	0.9348763367929362
PE O-18:1_22:4	0.4817323081032985	0.6446101607300481	0.3479216603441026	0.41464612892010017	0.5454063446996134	0.5528107458805938	0.7055440899008523	0.9384388662955263	0.6225998408993094	3.5124121373113293	1.4705333122048951	4.055896039336712
PE O-18:1_22:5	0.040866531574121956	0.064671244	0.038310393	0.041290696	0.053256689	0.080214756	0.15112466901600655	0.1772986620837091	0.099721625	1.6761370996417175	0.6160753481072526	2.2639027803788214
PE O-18:1_22:6	0.19907873243731494	0.2807187345248469	0.12173943415150235	0.15326834814610366	0.25635999944097176	0.2198419200435988	0.2569244647685445	0.31008939336171676	0.18555969270785228	0.828238936	0.9145624468185664	1.2365339532366733
PE O-18:1_24:4	0.0951921	0.15528473554721714	0.10557859287722504	0.099298615	0.13103709134015215	0.18278796447627185	0.15138252903178104	0.17838901645512784	0.081697771	0.7971490955107464	0.45451991152219806	0.8047454241424522
PE O-18:1_24:5	0.062322703706352685	0.093604682	0.066055398	0.054458249059422474	0.072563501	0.092993995	0.081810097	0.10282707507916768	0.053594269433646334	0.7788243235124827	0.28610106975931626	0.6458234784149092
PE O-18:2_16:0	0	0	1.4540400970128198	0	0	0	0	0	0	0	0	0
PE O-18:2_18:1	3.7629024418860935	10.03214715576099	7.161365708421292	3.650446977102943	5.439820428930011	5.752289098610536	4.044977799162619	6.1660759729402645	3.6954906843632673	2.852894089301003	3.3360395179698563	2.016840551295639
PE O-18:2_20:1	1.2253511870307303	2.682709682496608	1.5789361887662448	0.8442924828770779	1.2103363551244346	1.3829113437387217	1.6135926520590038	2.6584019514303123	1.5694383292949428	1.798813802926286	1.8926291481630775	1.234358996600077
PE O-18:2_20:4	1.9250048105529551	4.232718110197675	3.286156846053362	2.2561787251823366	3.1742114194782336	3.67539643	3.5639040867886704	5.558115917604727	2.779740609323355	4.934448539067241	3.3460293362905973	3.952020579311273
PE O-18:2_22:1	0.3155802382348601	0.6884684599576139	0.4517976288958692	0.22563072092990744	0.3460510086027244	0.3535741073397605	0.4245174466458674	0.6309904799335071	0.3585643624419412	0.6543239222065251	0.6670447450762749	0.670385656
PE O-18:2_22:4	0.3897814975976884	0.9127375011022958	0.4396098469465114	0.42766440763168145	0.6038392852457306	0.6040197491813186	0.7246666456072021	1.0575670529482915	0.5224972522052796	2.2472683414284598	0.9435901772958323	1.7009617410623101
PE O-18:2_22:5	0.061903494	0.11809189195081618	0.057537879066739364	0.061485857	0.10082283263056707	0.1026539804492997	0.15173698110362815	0.23308433590593766	0.1063838888555809	1.0178669418376878	0.5617159143282988	0.9794257386014236
PE O-18:2_22:6	0.18614700845613183	0.4446730238303517	0.26437074724148163	0.19602961604414237	0.30292477300589177	0.3076986204710868	0.32695117462493023	0.5621878293555589	0.2888617768551831	0.4288382359112015	0.7957642768650572	0.584262317
PE O-18:2_24:5	0.023346645709475408	0.051208856	0.027480618665558204	0.024002980977336563	0.040598098994736306	0.053731273	0.031932181	0.048731834	0.028491236564762892	0.4032539316243658	0.18695520697240678	0.35809040125818675
PG 16:0_18:1	1.3185947055756981	1.1108318322440556	0.8768870149608641	1.2569218847989607	1.4002039528464314	1.1823465364692862	0.8221341184805528	0.8980021945008723	0.7964227505840084	0.8102809217353877	0.8898499882458708	0.9336407722518778
PG 18:0_18:1	0.4397405936194408	0.5357552389362873	0.33077413363100716	0.5718023966139538	0.6319001887695187	0.5010111947114243	0.28767812445328794	0.33868957004633127	0.24072725397758693	0.2893417097465864	0.4498141682475976	0.5017487961333755
PG 18:1_18:1	0.010493225951982902	0.020396646158751832	0.012139940629545414	0.007217316	0.00567295	0.008209036	0.069059485	0.087206355	0.075148834	0.19662068295098092	0.2362185322510824	0.14688181793669236
PG 18:1_20:2	2.5572329492699213e-4	5.132396026882769e-4	6.354890727687939e-4	0.001274771	0.001102793	0.004374824	0.006584297	0.012583753635699732	0.030191876	0.12184730348746235	0.13828503812310955	0.067173253
PS 16:0_18:1	6.656155897418342	10.584086505610742	9.832125714050315	6.003787570458319	8.190350647103742	10.65528962288777	6.564622111175832	8.115334728	6.359006092599776	5.486423316032863	3.428213872975018	3.6779677038133243
PS 18:0_18:1	13.824100447507675	30.838609749783018	15.17499320392477	12.010133157034497	17.99545712961886	20.451696518390136	21.30563382436317	21.900453997786723	12.89899721118406	28.41767790929652	21.579378374863865	23.213605122314586
PS 18:0_18:2	17.198948456024393	21.832987570329042	13.531750803275559	12.538587478654101	12.835512781121192	16.163984192500813	13.161717759621157	13.719492590974612	9.791109410616656	7.998613734095324	6.051912495594478	6.292390663039311
PS 18:0_20:4	0.5918576498729998	1.1640318531136906	0.6839933078534688	0.5841906534400911	0.8796955615701603	0.8552840654027615	0.7293649656068352	1.0060116010235476	0.4998706628775471	1.6997789955564075	1.082249437539258	1.0365438384656653
PS 18:0_22:4	0.38033388196954615	0.7700283409896521	0.3663113979529001	0.5517340910454612	0.4856025013645744	0.8110828977564347	0.7194233871629687	1.3741181021734907	0.4468087049257247	2.9896366451011382	0.8884955734124446	1.7663416224477515
PS 18:0_22:5	0.38813070285949924	0.5845062119112726	0.4126939131691283	0.3635081075775361	0.43630960020560267	0.5123993804585614	0.6343943537656836	0.6329960384850132	0.342258828	0.7182541703035952	0.40339385840674896	0.503282079
PS 18:0_22:6	0.30002334933102953	0.49983289626259136	0.3008149543602494	0.2024763205484164	0.2329960589786473	0.32945764019241813	0.43394030428983915	0.5887207355826329	0.24809949268349332	0.967056914	0.938486249	1.2323934895729873
PS 18:1_18:2	1.9539112447836335	3.6711028871812936	2.3088941770386673	1.5894586403040414	2.4194387603719223	2.686857641493845	1.6572082936122714	2.5635088437166025	1.6196130705179008	0.886058652	0.5978599097555987	0.6777594378874762
PS 18:1_20:1	1.9229565904864154	3.2605227678814637	1.882803450616291	1.4134612780466633	1.867736749445491	2.3436934525865425	2.1229440872595746	3.135217787048331	1.820190627366564	1.7031227156080953	1.4519512043297138	1.1861451356059625
PS 18:1_22:1	2.284378034029304	3.6827871986887786	2.1940370410287007	1.3093990053372397	2.504248818523807	2.0713996062793374	2.1430299925589797	2.9058959257078785	1.9351841896258937	1.1123429550397188	0.8340652559648413	0.6957964669737706
PS 18:1_24:1	2.0554027964677983	2.9299497765606075	2.0122914171899384	1.5361705743113299	1.5214692831509127	1.614876208103454	2.1230812260879075	2.1792315137706377	1.5129539545421857	0.5635926003609998	0.3015277730522802	0.27069701870585233
PS 34:2	1.0919382463186262	2.0543976585903256	1.8351661019268737	0.9986144236637793	1.524497641	1.9212396879714149	0.9765823689339556	1.3456849436113087	0.9553005669480812	0.6090387823707012	0.2458885306043934	0.2511868357144485
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Average Rt(min)	Average Mz
CL 18:1_18:1_18:1_18:2	20.891	1454.01965
CL 28:2_40:2	19.965	1399.9657
PA 16:0_18:1	16.602	673.47992
PA 16:1_18:1	15.93	671.4671
PA 18:0_18:1	21.898	701.5127
PA 18:1_18:1	18.541	699.49988
PA 18:1_18:2	16.217	697.48175
PC 14:0_14:0	8.914	722.49744
PC 14:0_16:0	10.203	750.52905
PC 14:0_16:1	9.104	748.5116
PC 14:0_18:2	9.342	774.52985
PC 16:0_16:0	11.536	778.55902
PC 16:0_16:1	10.396	776.54449
PC 16:0_18:0	12.831	806.59497
PC 16:0_18:1	11.651	804.57849
PC 16:0_18:2	10.63	802.56287
PC 16:0_20:4	10.452	826.56226
PC 16:0_22:1	14.091	860.63849
PC 16:0_22:6	10.122	850.56226
PC 16:1_16:1	7.153	774.5307
PC 16:1_18:2	9.559	800.54602
PC 17:0_18:1	12.297	818.59045
PC 17:1_18:1	11.174	816.57874
PC 18:0_18:1	12.923	832.60663
PC 18:0_20:4	11.748	854.59393
PC 18:0_22:4	12.356	882.62115
PC 18:0_22:5	11.793	880.61005
PC 18:1_18:1	11.796	830.59271
PC 18:1_18:2	10.803	828.57684
PC 18:1_19:1	12.371	844.61157
PC 18:1_20:1	12.97	858.62439
PC 18:1_20:2	11.995	856.60468
PC 18:1_20:4	10.568	852.57831
PC 18:1_22:1	14.156	886.65692
PC 18:1_22:3	12.327	882.62671
PC 18:1_22:4	11.479	880.60999
PC 18:1_22:5	11.037	878.59338
PC 18:1_22:6	10.212	876.57721
PC 18:2_18:2	9.811	826.56134
PC 18:2_20:2	11.075	854.59387
PC 18:2_20:4	9.591	850.5614
PC 34:2	11.95	802.5639
PC 34:3	9.994	800.55084
PC 38:3	7.643	856.60596
PC 40:3	13.203	884.63898
PC 40:6	10.602	878.59375
PC 42:2	15.36	914.68732
PC O-16:0_14:0	11.078	736.55078
PC O-16:0_16:0	12.4	764.58002
PC O-16:0_16:1	11.292	762.56842
PC O-16:0_18:2	11.514	788.58069
PC O-16:0_20:4	11.285	812.58148
PC O-16:0_22:1	15.092	846.65869
PC O-16:0_22:2	14.15	844.64618
PC O-16:0_22:3	12.938	842.6308
PC O-16:0_22:4	12.27	840.61542
PC O-16:0_22:6	10.91	836.57874
PC O-16:0_24:4	13.387	868.64447
PC O-16:0_24:5	12.567	866.63196
PC O-16:1_14:0	10.854	734.53601
PC O-16:1_16:0	12.181	762.56879
PC O-16:1_18:1	12.291	788.5802
PC O-16:1_18:2	11.288	786.56708
PC O-16:1_20:4	11.033	810.56848
PC O-18:0_16:0	13.72	792.6131
PC O-18:0_18:1	13.773	818.62762
PC O-18:0_20:4	12.57	840.61578
PC O-18:1_16:0	12.476	790.59613
PC O-18:1_18:1	12.74	816.61108
PC O-18:1_18:2	11.579	814.59595
PC O-18:1_20:4	11.348	838.59711
PC O-18:1_22:4	12.315	866.62677
PC O-18:1_22:5	11.74	864.61505
PC O-18:2_18:1	12.383	814.60046
PC O-18:2_20:4	11.132	836.58533
PE 16:0_16:1	10.64	688.49286
PE 16:0_18:1	11.908	716.52551
PE 16:0_20:4	10.726	738.50732
PE 16:1_18:1	10.875	714.51056
PE 16:1_18:2	9.781	712.49536
PE 17:0_18:1	12.537	730.5401
PE 18:0_18:1	13.143	744.5545
PE 18:0_18:2	12.193	742.54053
PE 18:0_20:1	14.255	772.58826
PE 18:0_20:3	12.479	768.55566
PE 18:0_20:4	12.007	766.53882
PE 18:0_22:3	13.664	796.58569
PE 18:0_22:4	12.859	794.56976
PE 18:0_22:5	12.484	792.55536
PE 18:0_24:5	13.193	820.58698
PE 18:1_18:1	12.031	742.53986
PE 18:1_18:2	11.079	740.52441
PE 18:1_19:1	12.608	756.55737
PE 18:1_20:1	13.187	770.57037
PE 18:1_20:2	12.227	768.55481
PE 18:1_20:3	11.324	766.53894
PE 18:1_20:4	10.859	764.52454
PE 18:1_22:1	14.29	798.60443
PE 18:1_22:4	11.763	792.55457
PE 18:1_22:5	11.428	790.54327
PE 18:1_24:1	15.451	826.63464
PE 18:1_26:1	16.68	854.66461
PE 18:2_18:2	10.06	738.51215
PE 18:2_20:4	9.87	762.50787
PE 22:0_18:1	15.551	800.62018
PE 22:1_18:2	13.379	796.58563
PE 24:0_18:1	16.805	828.65015
PE 24:0_18:2	15.799	826.63483
PE 24:1_18:2	14.501	824.62067
PE O-16:0_16:0	12.616	676.52777
PE O-16:0_16:1	11.444	674.51349
PE O-16:0_18:1	12.698	702.54425
PE O-16:0_18:2	11.834	700.53082
PE O-16:0_20:4	11.635	724.52783
PE O-16:0_22:4	12.47	752.56207
PE O-16:1_16:1	11.317	672.49951
PE O-16:1_18:1	12.556	700.53125
PE O-16:1_18:2	11.568	698.51318
PE O-16:1_20:3	12.007	724.52802
PE O-16:1_20:4	11.341	722.51605
PE O-16:1_22:3	13.161	752.56219
PE O-16:1_22:4	12.222	750.54407
PE O-16:1_22:5	11.753	748.53021
PE O-16:1_22:6	10.971	746.51398
PE O-17:1_20:4	11.971	736.53198
PE O-17:1_22:4	12.814	764.55591
PE O-18:0_18:1	13.955	730.57703
PE O-18:0_18:2	12.853	728.56323
PE O-18:0_20:1	15.05	758.60889
PE O-18:0_20:4	12.825	752.56183
PE O-18:0_22:4	13.647	780.59235
PE O-18:0_22:5	12.832	778.5733
PE O-18:1_16:0	13.648	702.54407
PE O-18:1_18:1	12.756	728.55865
PE O-18:1_18:2	11.866	726.54425
PE O-18:1_20:1	14.874	756.59186
PE O-18:1_20:4	12.585	750.54443
PE O-18:1_22:3	13.828	780.59332
PE O-18:1_22:4	13.434	778.57501
PE O-18:1_22:5	13.038	776.55939
PE O-18:1_22:6	12.232	774.54657
PE O-18:1_24:4	14.429	806.61127
PE O-18:1_24:5	13.75	804.59491
PE O-18:2_16:0	8.253	700.53119
PE O-18:2_18:1	12.644	726.54407
PE O-18:2_20:1	13.789	754.57758
PE O-18:2_20:4	11.417	748.52948
PE O-18:2_22:1	14.962	782.60785
PE O-18:2_22:4	12.368	776.55988
PE O-18:2_22:5	11.969	774.54669
PE O-18:2_22:6	11.075	772.53143
PE O-18:2_24:5	12.68	802.57446
PG 16:0_18:1	10.494	747.52148
PG 18:0_18:1	11.726	775.54907
PG 18:1_18:1	9.751	773.53467
PG 18:1_20:2	10.023	799.55292
PS 16:0_18:1	10.429	760.51611
PS 18:0_18:1	11.684	788.54517
PS 18:0_18:2	10.77	786.53253
PS 18:0_20:4	10.547	810.53241
PS 18:0_22:4	11.445	838.56219
PS 18:0_22:5	10.594	836.54626
PS 18:0_22:6	10.236	834.53101
PS 18:1_18:2	9.641	784.51672
PS 18:1_20:1	11.832	814.55646
PS 18:1_22:1	12.959	842.59021
PS 18:1_24:1	14.063	870.62628
PS 34:2	9.439	758.50031
METABOLITES_END
#END