#METABOLOMICS WORKBENCH AnthonyDon_20240320_214956 DATATRACK_ID:4732 STUDY_ID:ST003168 ANALYSIS_ID:AN005199 PROJECT_ID:PR001927
VERSION             	1
CREATED_ON             	April 12, 2024, 9:12 am
#PROJECT
PR:PROJECT_TITLE                 	The Human Cardiac “Age-OME”: Age-specific changes in myocardial molecular
PR:PROJECT_TITLE                 	expression
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	A substantial proportion of the World’s population is ageing. One of the most
PR:PROJECT_SUMMARY               	significant risk factors for heart disease is ageing. However, we do not
PR:PROJECT_SUMMARY               	understand how the human heart changes with age. Taking advantage of a unique
PR:PROJECT_SUMMARY               	set of pre-mortem, cryopreserved, non-diseased human hearts, we performed
PR:PROJECT_SUMMARY               	multi-omic analyses (transcriptomics, proteomics, metabolomics and lipidomics),
PR:PROJECT_SUMMARY               	coupled with biological computational modelling in younger (<25 years old) and
PR:PROJECT_SUMMARY               	older hearts (>50 years old) to describe the molecular landscape of human
PR:PROJECT_SUMMARY               	cardiac ageing. In older hearts, we observed a downregulation of proteins
PR:PROJECT_SUMMARY               	involved in calcium signalling and of the contractile apparatus itself. In
PR:PROJECT_SUMMARY               	addition, we found a potential counteractive upregulation of central carbon
PR:PROJECT_SUMMARY               	generation of fuel, upregulation of glycolysis and increases in long-chain fatty
PR:PROJECT_SUMMARY               	acids. This is the first molecular data set of normal human cardiac ageing,
PR:PROJECT_SUMMARY               	which may have important implications for the development of age-related heart
PR:PROJECT_SUMMARY               	disease.
PR:INSTITUTE                     	University of Sydney
PR:DEPARTMENT                    	School of Medical Sciences
PR:LABORATORY                    	Cardiometabolic Medicine
PR:LAST_NAME                     	Don
PR:FIRST_NAME                    	Anthony
PR:ADDRESS                       	The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006
PR:EMAIL                         	anthony.don@sydney.edu.au
PR:PHONE                         	+61 2 8627 5578
#STUDY
ST:STUDY_TITLE                   	Lipidomic analysis of cryopreserved human cardiac tissue from young and ageing
ST:STUDY_TITLE                   	adults
ST:STUDY_SUMMARY                 	Untargeted lipidomic analysis was performed to measure lipids in left
ST:STUDY_SUMMARY                 	ventricular heart tissue from pre-mortem healthy donor hearts, as classified by
ST:STUDY_SUMMARY                 	formal pathological examination. Hearts were stored at the Sydney Heart Bank.
ST:STUDY_SUMMARY                 	Samples were divided into young (age ≤ 25 years) and old (age ≥ 50 years)
ST:STUDY_SUMMARY                 	cohorts. Lipidomic analysis used liquid chromatography-tandem mass spectrometry
ST:STUDY_SUMMARY                 	(LC-MS/MS) on a high resolution Q-Exactive HF-X Quadrupole-Orbitrap mass
ST:STUDY_SUMMARY                 	spectrometer, operated in both positive and negative ionisation mode.
ST:INSTITUTE                     	University of Sydney
ST:DEPARTMENT                    	Medicine and Health
ST:LABORATORY                    	Lipid Metabolism and Neurochemistry
ST:LAST_NAME                     	Don
ST:FIRST_NAME                    	Anthony
ST:ADDRESS                       	The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006
ST:EMAIL                         	anthony.don@sydney.edu.au
ST:PHONE                         	+61 2 8627 5578
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	23
ST:NUM_MALES                     	15
ST:NUM_FEMALES                   	8
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	Young donors (aged 25 years or younger) and older donors (aged 50 years or
SU:AGE_OR_AGE_RANGE              	older).
SU:GENDER                        	Male and female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	young_1	young_1	Sample source:Heart | Sex:M | Age group:young	Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=78
SUBJECT_SAMPLE_FACTORS           	young_2	young_2	Sample source:Heart | Sex:M | Age group:young	Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=79
SUBJECT_SAMPLE_FACTORS           	young_3	young_3	Sample source:Heart | Sex:M | Age group:young	Age=16; Diabetes=No; RAW_FILE_NAME(rawdata name)=80
SUBJECT_SAMPLE_FACTORS           	young_4	young_4	Sample source:Heart | Sex:M | Age group:young	Age=17; Diabetes=No; RAW_FILE_NAME(rawdata name)=81
SUBJECT_SAMPLE_FACTORS           	young_5	young_5	Sample source:Heart | Sex:M | Age group:young	Age=18; Diabetes=No; RAW_FILE_NAME(rawdata name)=82
SUBJECT_SAMPLE_FACTORS           	young_6	young_6	Sample source:Heart | Sex:M | Age group:young	Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=83
SUBJECT_SAMPLE_FACTORS           	young_7	young_7	Sample source:Heart | Sex:F | Age group:young	Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=84
SUBJECT_SAMPLE_FACTORS           	young_8	young_8	Sample source:Heart | Sex:M | Age group:young	Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=85
SUBJECT_SAMPLE_FACTORS           	young_9	young_9	Sample source:Heart | Sex:M | Age group:young	Age=21; Diabetes=No; RAW_FILE_NAME(rawdata name)=86
SUBJECT_SAMPLE_FACTORS           	young_10	young_10	Sample source:Heart | Sex:F | Age group:young	Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=87
SUBJECT_SAMPLE_FACTORS           	young_11	young_11	Sample source:Heart | Sex:M | Age group:young	Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=88
SUBJECT_SAMPLE_FACTORS           	young_12	young_12	Sample source:Heart | Sex:F | Age group:young	Age=25; Diabetes=No; RAW_FILE_NAME(rawdata name)=89
SUBJECT_SAMPLE_FACTORS           	old_1	old_1	Sample source:Heart | Sex:F | Age group:old	Age=51; Diabetes=No; RAW_FILE_NAME(rawdata name)=94
SUBJECT_SAMPLE_FACTORS           	old_2	old_2	Sample source:Heart | Sex:M | Age group:old	Age=53; Diabetes=No; RAW_FILE_NAME(rawdata name)=95
SUBJECT_SAMPLE_FACTORS           	old_4	old_4	Sample source:Heart | Sex:M | Age group:old	Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=97
SUBJECT_SAMPLE_FACTORS           	old_5	old_5	Sample source:Heart | Sex:F | Age group:old	Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=98
SUBJECT_SAMPLE_FACTORS           	old_7	old_7	Sample source:Heart | Sex:F | Age group:old	Age=55; Diabetes=No; RAW_FILE_NAME(rawdata name)=99
SUBJECT_SAMPLE_FACTORS           	old_8	old_8	Sample source:Heart | Sex:M | Age group:old	Age=56; Diabetes=No; RAW_FILE_NAME(rawdata name)=100
SUBJECT_SAMPLE_FACTORS           	old_9	old_9	Sample source:Heart | Sex:M | Age group:old	Age=60; Diabetes=No; RAW_FILE_NAME(rawdata name)=101
SUBJECT_SAMPLE_FACTORS           	old_10	old_10	Sample source:Heart | Sex:M | Age group:old	Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=102
SUBJECT_SAMPLE_FACTORS           	old_11	old_11	Sample source:Heart | Sex:F | Age group:old	Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=103
SUBJECT_SAMPLE_FACTORS           	old_12	old_12	Sample source:Heart | Sex:M | Age group:old	Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=104
SUBJECT_SAMPLE_FACTORS           	old_13	old_13	Sample source:Heart | Sex:F | Age group:old	Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=105
#COLLECTION
CO:COLLECTION_SUMMARY            	Control donor hearts that were considered suitable for transplantation but
CO:COLLECTION_SUMMARY            	ultimately not used due to factors such as transport issues, immune mismatches,
CO:COLLECTION_SUMMARY            	and size discrepancies between donor and recipient, were collected in this
CO:COLLECTION_SUMMARY            	study. These hearts came from individuals who died of non-cardiac reasons and
CO:COLLECTION_SUMMARY            	had no risk factors for heart disease, including having a BMI under 30.
CO:COLLECTION_SUMMARY            	Following a thorough pathological review, these hearts were confirmed to be
CO:COLLECTION_SUMMARY            	structurally normal through histological evaluation. Left ventricular (LV)
CO:COLLECTION_SUMMARY            	samples were taken directly in the operating room, immediately snap-frozen in
CO:COLLECTION_SUMMARY            	liquid nitrogen at -196°C, and then stored at the Sydney Heart Bank at the
CO:COLLECTION_SUMMARY            	University of Sydney, at temperatures ranging from -170 to -180°C. This
CO:COLLECTION_SUMMARY            	collection process received ethical approval from the University of Sydney's
CO:COLLECTION_SUMMARY            	Ethics Committee (USYD # 2021/122).
CO:COLLECTION_PROTOCOL_ID        	CO003212
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	The samples detailed in this study did not undergo any treatment.
TR:TREATMENT_PROTOCOL_ID         	TR003228
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted from ~20 mg heart tissue using a two-phase method with
SP:SAMPLEPREP_SUMMARY            	methyl-tert-butyl ether (MTBE) and water. Tissue was homogenised with steel
SP:SAMPLEPREP_SUMMARY            	beads in 250 µL methanol containing 0.01% (w/v) butylhydroxytoluene (BHT) and
SP:SAMPLEPREP_SUMMARY            	mass spectrometry internal standards: 2 nmoles PC(19:0/19:0); 1 nmole each of
SP:SAMPLEPREP_SUMMARY            	SM(d18:1/12:0), GluCer(d18:1/12:0), Cer(d18:1/17:0), PS(17:0/17:0),
SP:SAMPLEPREP_SUMMARY            	PE(17:0/17:0), PA(17:0/17:0), PI(d7-18:1/15:0), PG(17:0/17:0),
SP:SAMPLEPREP_SUMMARY            	CL(14:0/14:0/14:0/14:0), and TG(17:0/17:0/17:0); 0.5 nmoles each of
SP:SAMPLEPREP_SUMMARY            	DG(d7-18:1/15:0), CholE(17:0), LPC (17:0), LPE(17:1), and AcCa(d3-16:0); and 0.2
SP:SAMPLEPREP_SUMMARY            	nmole each of Sph(d17:1), S1P(d17:1), LacCer(d18:1/12:0), and MG(d7-18:1). MTBE
SP:SAMPLEPREP_SUMMARY            	(850 µL) was added, and samples were sonicated in a 4°C water bath for 30 min.
SP:SAMPLEPREP_SUMMARY            	Mass spectrometry grade water (212 µL) was added to induce phase separation
SP:SAMPLEPREP_SUMMARY            	after vortexing and centrifugation at 2000g for 5 min. The upper organic phase
SP:SAMPLEPREP_SUMMARY            	was collected in 5 mL glass tubes and the aqueous phase was extracted twice more
SP:SAMPLEPREP_SUMMARY            	with 500 µL MTBE and 150 µL methanol followed by sonication for 15 min and
SP:SAMPLEPREP_SUMMARY            	phase separation with 125 µL water. Organic phases from the three extractions
SP:SAMPLEPREP_SUMMARY            	were combined and dried under vacuum in a Savant SC210 SpeedVac (ThermoFisher
SP:SAMPLEPREP_SUMMARY            	Scientific). Lipids were reconstituted in 400 µL 80% methanol/20% water/0.1%
SP:SAMPLEPREP_SUMMARY            	formic acid containing 0.01% (w/v) BHT and stored at -80 °C.
SP:SAMPLEPREP_PROTOCOL_ID        	SP003225
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	A ThermoFisher Q-Exactive HF-X mass spectrometer coupled to a Vanquish HPLC with
CH:CHROMATOGRAPHY_SUMMARY        	a Waters Acquity UPLC BEH C18 (100 x 2.1 mm, 1.7 um) column was used for
CH:CHROMATOGRAPHY_SUMMARY        	LC-MS/MS, with minor modifications to our previously-reported method. HPLC
CH:CHROMATOGRAPHY_SUMMARY        	solvent A was 10 mM ammonium formate, 0.1% formic acid in acetonitrile:water
CH:CHROMATOGRAPHY_SUMMARY        	(60:40), and solvent B was 10 mM ammonium formate, 0.1% formic acid in
CH:CHROMATOGRAPHY_SUMMARY        	isopropanol:acetonitrile (90:10). A 27 min binary gradient at 0.28 mL/min was
CH:CHROMATOGRAPHY_SUMMARY        	used: 0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B;
CH:CHROMATOGRAPHY_SUMMARY        	13 min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27
CH:CHROMATOGRAPHY_SUMMARY        	min, 70:30 A/B.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters HPLC C18 (100 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid
CH:FLOW_GRADIENT                 	0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B; 13
CH:FLOW_GRADIENT                 	min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27
CH:FLOW_GRADIENT                 	min, 70:30 A/B
CH:FLOW_RATE                     	0.28 mL/min
CH:COLUMN_TEMPERATURE            	32
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Data was acquired in full scan/data-dependent MS2 mode (full scan resolution
MS:MS_COMMENTS                   	60,000 FWHM, scan range 220–1600 m/z). Sample order was randomised, and data
MS:MS_COMMENTS                   	was collected in both positive and negative mode for each sample. The ten most
MS:MS_COMMENTS                   	abundant ions in each cycle were subjected to MS2, with an isolation window of
MS:MS_COMMENTS                   	1.4 m/z, collision energy 30 eV, resolution 17,500 FWHM, maximum integration
MS:MS_COMMENTS                   	time 110 ms and dynamic exclusion window 10 s. An exclusion list of background
MS:MS_COMMENTS                   	ions was used based on a solvent blank. An inclusion list was used for all
MS:MS_COMMENTS                   	internal standards. LipidSearch software (version 4.2, Thermo Fisher) was used
MS:MS_COMMENTS                   	for lipid annotation, chromatogram alignment, and peak integration. Lipid
MS:MS_COMMENTS                   	annotation required both accurate precursor ion mass (tolerance 5 ppm) and
MS:MS_COMMENTS                   	diagnostic product ions (tolerance 8 ppm). Individual lipids were expressed as
MS:MS_COMMENTS                   	ratios to the class-specific internal standard, then multiplied by the amount of
MS:MS_COMMENTS                   	internal standard to calculate molar amounts for each lipid. Lipid levels were
MS:MS_COMMENTS                   	expressed as nmoles/mg tissue.
MS:MS_RESULTS_FILE               	ST003168_AN005199_Results.txt	UNITS:nanomoles/mg of tissue	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmoles/mg tissue
MS_METABOLITE_DATA_START
Samples	young_1	young_2	young_3	young_4	young_5	young_6	young_7	young_8	young_9	young_10	young_11	young_12	old_1	old_2	old_4	old_5	old_7	old_8	old_9	old_10	old_11	old_12	old_13
Factors	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:F | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:F | Age group:young	Sample source:Heart | Sex:M | Age group:young	Sample source:Heart | Sex:F | Age group:young	Sample source:Heart | Sex:F | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:F | Age group:old	Sample source:Heart | Sex:F | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:F | Age group:old	Sample source:Heart | Sex:M | Age group:old	Sample source:Heart | Sex:F | Age group:old
CL(10:0_20:3_14:0_14:0)-H	8.288923188	9.130036375	9.088604918	7.939585707	8.958023221	9.617731548	10.92749872	9.014450992	8.129700305	10.00764969	10.59018499	8.44974482	10.33653914	7.835064143	9.306426922	9.634192094	7.185330425	5.361865872	10.02885348	9.151259775	10.67353588	8.995932818	4.543344643
CL(18:2_16:1_18:2_18:2)-H	36.87053578	11.23406796	7.64857833	13.34392823	19.086226	13.49760996	6.245132909	2.983467885	11.14579575	35.57224102	5.89864007	14.49820293	45.4020347	28.58006511	16.56309138	16.78099502	18.73021353	14.82861284	24.35395946	5.900747653	22.45413145	14.97973924	6.825697904
CL(18:2_18:1_18:2_18:1)-H	6.006793165	3.21559077	5.497547603	4.675082395	14.10995183	2.479186658	3.006043664	1.544772537	5.166824317	5.95231049	5.421676885	8.050304178	13.4370806	2.396337569	4.866025146	5.059892154	6.390454792	4.341636046	4.548003082	5.453453558	8.34348628	3.948288114	1.238746477
CL(18:2_18:1_18:2_18:2)-H	17.09615804	13.33423071	10.1392693	16.35676172	29.69468881	16.43606125	6.761783925	3.835516336	19.92519177	17.47207794	12.13427113	26.09073495	27.44989811	9.566441907	15.48437607	16.87077644	23.00681892	16.2040962	20.73261147	13.32909498	25.25224506	15.35066092	5.49336927
CL(18:2_18:2_18:2_18:2)-H	132.9647036	145.3658224	102.6456602	160.7073956	285.5223135	95.47360128	76.77166806	31.89687847	128.9572699	168.4887617	59.06087529	163.6134803	258.9620136	157.8022149	177.2678838	241.2445881	258.660033	234.4787876	226.471062	52.46975437	142.1420782	222.5423768	68.02596498
CL(18:3_18:2_16:1_22:6)-H	1.034207557	1.078827511	1.021963022	1.163244278	0.896723374	0.099628305	0.481635483	0.10091135	1.244532291	2.2688019	0.287570046	1.745878023	0.597705229	1.243621236	1.128015626	0.493338874	0.271988798	2.06201373	0	0.231612585	1.555265662	1.586458282	0.198362733
CL(20:5_16:1_18:2_18:2)-H	7.256297269	2.1499059	1.217777979	2.314996581	2.678777084	1.132109505	1.115987713	0.328686782	1.240968824	6.657400223	1.086875662	2.770047467	8.662861363	4.599246327	3.089220453	1.517244561	0.899404719	1.83518782	1.768780098	1.193509855	4.008657328	2.905265565	0.819247401
CL(20:5_18:2_18:1_18:2)-H	5.415466906	3.367046368	3.679635956	4.818908427	9.164978823	2.827325892	2.695708137	0.973207886	4.099253642	4.739598349	3.583329878	7.092189663	8.282746879	2.818584415	4.344260928	5.122513535	7.032704566	3.813700652	5.404323858	3.749684613	7.072628297	3.568263242	1.051143447
CL(20:5_18:2_18:2_18:2)-H	26.33884964	30.06563838	21.00025645	31.8418019	61.04560288	19.66878313	16.0594747	6.315154192	15.98434551	33.37955687	14.82694691	33.31858106	50.22297119	31.88917419	36.18505112	46.09019137	55.79274292	25.33798054	43.66374701	11.50721264	39.23354602	45.18524904	7.999781911
LPE(14:0)-H	0.222176594	0.310088514	0.150205314	0.347422861	0.33752669	0.970593621	0.37998009	0.238728711	0.462970893	0.47734518	0.150130469	0.227508376	0.270466079	0.457780087	0.276231482	0.135921549	0.122162958	0.337090901	0.170326377	0.187211428	0.464804294	0.178753897	0.364787287
LPE(16:0)-H	16.23552335	14.31482021	5.963654276	11.98883265	15.35872826	89.72605035	14.4142735	11.11526196	23.3168822	22.09062191	13.16269099	12.2111859	8.543426678	13.29292132	14.67332705	3.370046734	9.334919611	17.73434904	3.371839477	11.04864056	17.71659299	10.16519396	22.00805929
LPE(16:0e)-H	1.582724303	0.773338948	0.18202719	0.654322271	0.691166089	3.227959163	0.626562954	0.453451559	1.774202745	1.842586177	0.882593932	0.756807203	0.373208301	1.583712199	0.790281588	0.233524266	0.351324033	1.096701471	0.162286725	0.892814323	0.952535548	0.702234077	1.507679091
LPE(16:1e)-H	1.753790014	1.064912537	0.839358304	1.0602789	1.14688588	28.05726352	0.769727751	0.915146163	1.091500366	1.805507574	1.228846472	1.135847237	1.398605269	1.186913632	1.436534967	0.356730306	1.204330904	1.666056465	0.96231546	1.241713375	0.688030377	1.007777572	1.118819666
LPE(18:0)-H	75.85110029	87.14917989	34.59599168	78.70648986	79.66516438	679.5488646	86.69061847	56.79931309	173.1738307	102.6540334	79.80103781	102.3879674	42.38989902	89.23657853	85.72084241	15.22288339	41.65785848	90.78518404	9.619362758	80.68059539	70.08684961	62.64344988	109.9479866
LPE(18:0e)-H	1.068674044	0.653207315	0.157166752	0.561779078	0.459066962	4.935894191	0.500154702	0.322114496	1.516591314	1.076402351	0.755317151	0.614254273	0.222411451	1.14006031	0.654816156	0.096307487	0.214272097	0.900477351	0.071899129	0.775028329	0.529510569	0.480015335	1.200265624
LPE(18:1)-H	25.95368282	16.5353032	9.607108806	14.78206789	14.60680779	60.11986874	17.05055338	15.41971857	25.19360586	31.63626829	16.41794461	15.0644021	11.76289185	16.40235655	17.89735686	5.324791798	10.7681026	17.24693381	3.560058288	15.19950338	20.85482605	11.92775938	18.74582058
LPE(18:1e)-H	0.420160841	0.230143795	0.07512007	0.233458586	0.212906374	1.154635663	0.279464028	0.185510428	0.708570232	0.631242572	0.313717404	0.275457689	0.15288165	0.495379899	0.269916916	0.075282274	0.099409619	0.393620041	0.053155964	0.272363777	0.396593668	0.212503471	0.98684142
LPE(18:2)-H	29.54981846	66.19474216	19.80693731	31.14534772	41.50005703	29.79701624	68.43462841	29.83229535	57.54760701	73.65448997	29.15213877	47.63827358	24.91997027	35.12461339	55.06577206	23.03647893	60.94425242	29.62814653	9.589996168	28.15205422	33.33834748	44.38816155	36.98251166
LPE(18:2e)-H	1.365406277	0.595379749	0.510104424	0.505989256	0.595431007	10.48734408	0.564574176	0.515218248	0.568555696	0.925248806	0.733160157	0.609270694	0.997001913	0.614677206	0.889302104	0.188501053	0.732982344	0.95066133	0.482760262	0.540340039	0.415980991	0.80310773	1.113381831
LPE(18:3)-H	0.29983619	0.61609097	0.300949106	0.404883601	0.478142434	0.309520772	0.725607017	0.201296978	0.879550383	1.289754685	0.331432351	0.671283824	0.46714447	0.404987338	0.517197906	0.313923208	0.727306274	0.458367389	0.14462154	0.440275131	0.423522224	0.656053496	0.216290079
LPE(20:1)-H	0.907777034	0.513521277	0.313144516	0.3312663	0.455783292	1.813049371	0.519351504	0.490536269	0.777161474	0.952167028	0.515549795	0.467687155	0.41162547	0.493911425	0.477098174	0.138146809	0.264382172	0.569729049	0.094654919	0.382462314	0.447476264	0.321124403	0.633309426
LPE(20:2)-H	0.798865888	0.862155544	0.409847781	0.453453695	0.73395464	0.788390109	0.834015645	0.655325387	0.922160915	1.357417408	0.415113583	0.621398513	0.560745525	0.702998718	0.805426124	0.221907664	0.685479714	0.775891604	0.121987255	0.452831306	0.495080843	0.864464168	1.285560382
LPE(20:3)-H	14.84587482	21.78988339	5.334360101	11.39379257	15.84463256	6.253171897	13.89305337	12.52344358	18.03019395	23.06220664	6.141904048	13.09188856	9.995083978	21.04096402	11.00461023	5.640438961	10.60772642	10.25057499	4.940928109	7.652521001	7.018262776	8.70110546	6.543345397
LPE(20:4)-H	653.4399886	609.2115324	364.0575121	526.2582289	623.8926826	509.2410722	565.6835399	523.4085691	707.1046541	745.5873895	592.0430042	546.1538023	478.2706225	591.5797132	699.9343275	266.5449872	441.1900038	586.6650886	295.7063692	547.5340606	845.3095102	545.8412066	479.8696873
LPE(20:5)-H	70.99688746	25.81310445	12.54821362	30.84317561	23.02438234	18.62789299	52.11374266	22.84195173	39.54894049	40.2844383	24.90347354	26.87566046	29.85351138	38.62041386	23.8085156	11.05977984	18.21213295	58.57442829	17.17591167	123.0707537	35.32221712	27.59449624	21.09991667
LPE(22:3)-H	0.474826124	0.383605248	0.25246572	0.270520634	0.432972695	0.321850953	0.2570686	0.536073998	0.472701317	0.546555535	0.321852729	0.328730991	0.278901024	0.48949892	0.300276677	0.102640997	0.215944822	0.31416557	0.094999996	0.148368499	0.211783849	0.14833333	0.262678146
LPE(22:4)-H	17.45081521	19.18544672	11.22838649	14.31821969	23.22113927	12.8634013	15.13885971	18.22538456	26.95447938	27.09813039	19.97973755	17.93701308	11.90209589	17.43029017	18.1366658	5.672166048	10.29198088	10.92046098	4.398800505	7.584528865	13.75465692	9.582460958	22.31148688
LPE(22:5)-H	80.50169286	67.16322817	41.16581574	63.94099604	73.75566228	38.80660697	74.83758976	58.86618035	92.70326872	68.47594377	52.09551505	69.07791348	63.76279683	65.93577675	63.98992334	27.78415491	42.62772142	61.36020341	27.4649254	87.40191111	47.16837785	41.35186319	47.67690175
LPE(22:6)-H	186.1349389	88.81349524	40.67032956	70.47993627	67.12854594	87.26210907	91.86794201	83.09266519	78.69837403	200.7607408	99.24310904	59.90562109	84.14394783	68.72022243	122.2355671	40.54820664	71.63207149	163.4237718	46.80080594	189.4222382	145.8940691	118.47212	66.05970951
PE(16:0_16:0)-H	36.23097033	333.8608082	106.3579186	74.06273271	553.3812425	407.3188549	117.7863231	71.22551413	25.93228945	450.9316209	62.73564268	182.3085529	397.2957634	286.1049562	252.3176489	190.969206	205.3954445	43.82619377	1160.88424	192.6533178	40.97267712	152.8472426	12.39813742
PE(16:0_18:1)-H	65.38956635	229.4129719	95.29042408	38.57404447	228.4789955	154.2304814	62.60278447	42.56431045	27.21920118	220.6771076	38.94099069	77.67563715	163.1332419	122.1511129	118.0800456	128.8381707	220.9565699	34.90455283	188.6146071	76.38704592	46.86716892	114.8798248	13.423203
PE(16:0_18:2)-H	43.19594882	582.5787926	106.9337734	55.3671426	470.6206287	150.9849952	149.3304249	49.20880699	67.96914912	483.4012655	86.01583142	183.2627047	193.8913189	128.7205268	270.8407345	194.3254996	700.9797805	51.40877123	268.4884259	132.1862248	66.31914621	231.6443601	37.19161023
PE(16:0_20:4)-H	400.1723729	4613.338827	865.5362109	520.5887498	3852.289303	1677.035332	942.2066618	828.886496	546.473588	3159.663489	979.560495	1945.876726	1596.569804	1414.91032	1670.447832	1329.94264	2684.014283	396.7823694	3013.979667	924.444864	835.8235633	1019.265459	259.0856373
PE(16:0_20:5)-H	18.35218111	180.8078293	23.4111193	21.19721289	120.2981162	48.10357942	63.88018199	12.80820191	15.77764152	129.3230583	16.12294933	58.29349176	90.8602385	75.05592776	49.31595448	32.94413426	106.7112911	24.92323986	147.4466174	146.0133508	12.28549094	41.82662951	3.893307118
PE(16:0_22:6)-H	63.25999492	495.9972393	101.3646284	53.7280319	341.7832695	260.9595376	135.4851591	73.3725825	36.74839501	604.9737957	75.37865708	111.814444	272.8472167	125.2034343	213.0913941	194.3545715	380.8305616	76.76712447	543.3096771	318.6529336	92.03461325	231.8765131	12.57152925
PE(16:0e_20:4)-H	25.06890458	145.7435432	35.02526858	20.27336293	131.7065082	86.73385876	32.00129048	12.45791453	20.51362715	222.212653	32.22721745	66.31766961	35.07098975	121.6574683	84.81638338	69.78047993	129.3239844	10.22477932	133.970189	45.35058864	22.20380481	74.73628705	5.67072579
PE(16:1e_20:4)-H	135.0956443	523.8012322	761.0607763	104.1633984	1003.321025	1207.363953	77.85331699	96.06010785	6.240006818	460.1923096	150.5472838	400.8326984	1498.72566	282.2483874	409.6860652	616.2172939	1879.406233	82.7424245	5462.295075	120.4783016	7.411547695	374.6365964	1.094620461
PE(16:1e_22:6)-H	28.83510908	50.9374767	63.82353351	9.609057085	73.20916884	132.2703278	9.027978109	9.643970948	0.531074852	88.04515654	21.05265349	28.09385157	175.0663663	20.53672684	47.4676358	91.08157232	203.3086905	16.87154744	817.2074302	29.41790053	1.343913714	49.5192789	0.137682199
PE(17:0_18:1)-H	13.21426142	153.3338039	40.18929714	25.03256896	160.4468579	153.7950838	35.63200999	28.98458828	12.40358469	159.4505774	13.41674891	69.61165781	114.6210397	56.19302358	81.59270659	62.63211918	81.46693728	13.6235896	284.983563	65.88995141	14.06814735	37.59724859	3.500700945
PE(17:0_18:2)-H	3.261602284	100.9575114	21.06170646	18.2822163	130.8068358	64.39283044	30.9248177	12.53125555	8.35459663	78.95906778	12.92071913	63.74597081	68.16334957	23.93041798	71.64481051	44.78413438	113.2975434	7.221373351	153.4715148	35.99934094	5.440059402	41.37517785	2.810562146
PE(17:0_20:4)-H	21.99700677	293.2308155	99.06550455	62.92537354	311.5925275	137.6619828	81.08828788	30.57482692	87.25404291	163.0489749	42.65015128	191.5970906	155.6924833	91.07402907	125.9810643	126.7461593	435.1510835	33.86344596	221.3978449	69.95680953	50.65185583	80.6104077	18.02069722
PE(18:0_18:1)-H	69.68764803	112.1805809	70.55959908	42.82078077	93.42095519	194.2365127	50.11653486	25.32661843	45.68534781	119.449524	35.5585938	71.12469329	69.50600829	57.11301975	47.42382158	91.50775814	121.7421555	54.14949951	197.9554935	60.32422395	47.78529602	56.14577173	18.40795151
PE(18:0_20:1)-H	96.22864386	454.0869603	225.2955316	88.81700875	463.2681247	500.3562844	115.7746146	92.95620667	82.06949139	485.9790782	73.09601347	261.9716937	383.5764818	269.8258231	236.2744207	140.5314677	290.1509003	91.45343348	327.4527404	224.1334759	69.89523551	193.9078792	25.50069702
PE(18:0_20:3)-H	107.5611647	1364.910025	297.9758158	162.4811019	1647.62699	882.8901182	432.6024405	228.4115978	102.1690813	1419.849208	145.1146481	668.4720718	936.7518681	628.5443417	873.6923843	801.7073612	1603.566379	102.7012801	1484.784062	452.0130301	129.1715171	555.3928023	48.24367666
PE(18:0_20:4)-H	1717.353154	13228.75166	6093.662298	2958.360205	15630.40168	6505.614265	4365.91059	1769.118921	2938.144354	8363.628049	2704.97143	8353.765182	7749.463272	6607.005329	7118.098005	10096.98112	10908.50994	1763.874018	10964.18187	3631.266228	3058.316426	6085.527101	902.3930474
PE(18:0_20:5)-H	37.79509038	201.9505245	57.47370307	33.76464574	283.4615037	136.5423211	163.3164681	36.64173488	15.76336044	152.698501	30.20986195	119.4222034	197.4176973	181.2055893	104.0003468	91.18027115	144.4276546	48.07142428	749.751442	400.5401086	13.42129877	92.72614269	5.172131513
PE(18:0_22:4)-H	21.76645215	51.77877906	28.81872243	14.68582168	62.55373219	46.02070762	16.77307992	10.14790458	17.06090815	33.232565	11.84306033	24.93329109	38.44535141	26.69361353	31.33786854	38.44081064	49.3225356	14.86566145	35.95272177	10.99140044	16.82351044	25.9430616	8.687950446
PE(18:0_22:5)-H	64.68528699	198.7234913	70.39648233	54.43819012	187.2648812	113.2454904	44.91967928	21.52908755	77.78636827	183.9829638	42.57072541	109.9562845	117.7184377	82.77866586	104.0028075	98.07324487	138.5989331	39.76130602	116.6259828	42.04404968	43.75896831	86.94139594	20.03683846
PE(18:0_22:6)-H	444.8408859	1272.317257	365.3332195	311.4453363	992.902171	1117.125295	391.3919508	142.3837332	256.2794465	1792.344069	295.1708098	625.1158032	927.6690616	412.4122821	844.1280026	1251.063354	1300.777638	309.8751523	1600.693174	1113.758874	329.7103224	996.2573629	76.45749668
PE(18:0e_18:2)-H	4.418620014	96.49092664	11.3739577	9.079680351	94.56801774	38.03728981	28.81134755	7.108311657	7.886813441	70.62506671	14.34566796	48.20893389	31.86211469	38.15285564	41.85441193	23.63254169	92.96220013	4.936904295	34.78885989	21.03186752	4.073835713	43.72756406	3.677499416
PE(18:0e_20:4)-H	34.78339989	90.61035609	23.52548093	23.28191224	71.62714783	67.1950521	23.06753051	7.928078973	31.03215826	83.87961817	28.00426122	46.76745075	34.34284762	82.72662643	52.54540634	44.63482208	46.72552218	23.80118631	50.23565895	30.88905197	25.01284605	52.79200875	9.946144313
PE(18:0e_22:6)-H	135.7838144	437.1613124	163.202016	105.7023335	670.7411274	874.338329	180.8045613	111.9803643	33.1560706	1206.432587	86.72397896	334.8600304	537.5929508	351.0519106	363.6434434	382.6054322	425.7407913	54.14677263	1779.187247	249.0398481	74.50423906	196.1196957	15.20914871
PE(18:1_18:1)-H	177.7354394	778.8849121	443.0432404	170.7491228	873.6012024	438.6045911	312.149184	117.1567755	265.5371128	616.1494145	210.4708717	522.0493921	394.0210617	307.9855462	532.9080343	495.9409929	1220.190058	173.4752601	487.5220044	334.2703095	160.9410952	542.1438072	118.4757633
PE(18:1_18:2)-H	34.38528149	708.8479641	151.8518799	74.2068406	557.1733844	184.8833518	181.1431952	74.2279183	87.55517389	583.167339	55.03745605	216.7672565	352.9340455	228.7073836	370.1943905	278.7005808	840.1859365	73.16502493	283.3829436	157.6754338	76.83533042	319.6387375	49.40432977
PE(18:1_20:4)-H	341.7520279	3433.989716	878.2676131	528.8772946	3016.281474	1256.506315	991.6772722	664.9488171	648.8234013	2528.988275	390.6532619	1629.293563	1670.335395	1665.179005	1641.770175	1462.895141	2006.892109	299.1119968	1801.668892	941.4922894	596.135754	918.9312193	282.4765264
PE(18:1_22:5)-H	24.50597271	95.40921836	35.24062324	9.841541706	114.8334617	27.14876565	34.39144557	31.61589249	15.27330323	57.49388801	13.89822456	36.14206922	75.4694383	34.25040581	41.3672131	34.21967992	116.0895912	19.40349787	49.39670298	39.82316694	22.63565079	38.56645778	6.525192494
PE(18:1_22:6)-H	99.45393846	500.6749537	119.146948	73.53123848	362.2316396	227.9087147	171.1196266	72.22935907	62.50498863	780.9575784	68.0554461	169.4423441	427.2599412	174.9645422	313.6508709	263.5887048	409.7944978	101.6880873	441.2864122	328.3464255	108.6899169	278.8389593	30.76797297
PE(18:1e_18:1)-H	32.30673246	192.7775758	142.1468643	33.02371209	217.6575134	457.2011495	31.6474503	26.39455004	0.89209671	253.6963298	51.25865113	156.5527039	444.2378684	104.9675469	134.2019055	73.71641592	435.3241221	13.14780422	771.8009324	60.26583653	0.632611996	115.623453	0.101663505
PE(18:1e_18:2)-H	33.66002493	733.9687442	281.3439536	89.07643862	959.2162105	761.3696482	164.7876786	62.76990211	2.646334046	617.1748821	127.0264678	533.4971487	809.2688755	284.8903796	573.4672468	253.4093258	1740.814515	37.98501339	1492.630972	166.1931658	0.773651807	470.9649665	0.198406526
PE(18:1e_20:5)-H	96.47558466	722.5983627	208.5680467	157.5895469	1227.892122	598.2235499	278.906283	123.1100606	60.92986822	1325.43567	134.4130744	490.720234	451.7662413	456.7345629	696.8647196	336.1126133	821.6112963	133.9507824	239.2354288	475.5483553	74.94970573	517.3973538	31.17141412
PE(18:1e_22:5)-H	60.1247893	183.7781365	194.3781419	50.38561732	442.0635374	596.0377759	69.00548847	45.65889159	2.435396785	218.34741	122.9503864	248.2251655	550.1821157	155.4345513	281.1424008	128.4039029	441.328509	31.90351454	1364.233827	146.763873	2.485227258	237.7994609	1.211741502
PE(18:2_20:4)-H	14.19880203	154.6563635	46.60077232	27.9653388	153.2013902	212.9251601	51.22904935	19.49748537	22.47018598	130.3559896	15.97919802	79.42127566	81.27904838	74.718247	79.56198005	59.60157052	129.7170845	13.7854111	78.08504563	54.83545836	15.95704303	44.86197079	6.86680033
PE(18:2_21:0)-H	4.590418495	75.43239176	13.36696861	8.042351838	76.83454996	50.81325162	40.40651241	7.335140006	2.737604403	89.3287966	15.39090065	64.37313264	49.05865368	29.07463979	65.22429627	49.17806442	126.7848368	7.645934098	43.40851013	23.56854249	1.762343441	71.11662084	1.265445025
PE(18:2_22:6)-H	12.76292015	59.91450642	21.72938429	9.468266423	57.48131652	341.2048805	21.32403151	11.18907742	8.592456327	98.93039856	9.311719417	29.7331034	47.10205511	24.73364936	51.13951266	28.83151019	87.91536867	13.26358027	49.48623516	53.17013969	9.080962225	40.80665611	5.160231477
PE(18:2_23:1)-H	14.67884326	44.9678385	34.73155899	17.78766884	88.10344083	97.3212892	15.69638344	10.58152726	2.010422372	41.71135316	39.53211623	55.19252607	63.5896414	40.45453766	69.99517094	23.86047048	50.59472647	10.1193689	70.09418938	38.48582762	2.840138037	56.27074585	0.913029712
PE(18:2e_20:4)-H	125.7660723	304.6453159	471.8399933	39.97862076	645.6716183	849.3695028	64.19410305	58.98841748	4.207783482	292.6787358	81.42703269	250.7135576	1081.106229	208.9824539	246.6989989	394.9481871	1292.984862	50.90029637	2939.100655	78.21233902	8.492572412	324.4399282	0.475477654
PE(18:2e_22:6)-H	27.66865978	28.9406613	37.40728142	3.861349279	39.98966809	97.47319268	6.843556312	6.239353816	0.278661361	55.12377842	12.33215791	16.67440349	118.0921761	13.42782894	29.91250612	37.98389469	135.1468162	12.56612257	335.8403783	15.81313061	0.753119642	43.93004798	0.003639965
PE(19:0_18:2)-H	20.97145403	158.1490989	67.25817184	34.53476479	221.0092317	158.0363007	41.24271327	26.09596623	19.60209326	161.858659	33.93308158	102.6356301	110.4093507	59.27163125	107.6361355	80.301308	178.995896	26.01607007	181.549147	65.12596822	11.46673903	68.30893525	6.09912304
PE(19:0_20:4)-H	285.7649382	1326.114711	671.3462607	199.9224768	1544.690763	1113.365519	324.0925177	232.2880472	46.12580047	1220.392559	270.5322344	692.818438	1328.652867	607.9072082	853.2525119	644.5117255	1559.739831	212.6745818	1058.710332	423.3371638	53.88627299	831.806889	21.18220325
PE(19:0_22:5)-H	317.0828704	3340.505653	995.6261567	379.9039056	2950.104334	2540.104237	773.8169445	620.3937532	224.0782322	3252.608244	399.0752097	1465.684479	2094.574836	1578.100216	1702.744924	1578.562138	2519.895705	166.8254377	4518.77565	1488.335838	271.4046304	1361.542882	70.22928455
PE(20:0_20:3)-H	7.624943218	78.93134229	21.18228647	9.413799141	87.44580381	43.92067795	16.21015193	15.25155215	7.275454963	52.11259789	6.595545339	30.33662504	38.95215375	44.00513694	25.93075767	21.62111125	73.00952101	9.741321667	63.86160473	19.53458471	7.756930211	21.26797592	1.999314432
PE(20:0_20:4)-H	26.75007977	248.7780475	164.4421923	46.48246592	506.2868233	251.0798775	85.55164588	57.63773995	34.18568511	174.8875066	58.91235199	156.2055396	198.9838541	184.4819781	184.9272132	126.0379444	224.5418927	34.1790581	442.8062388	97.89346134	44.43328719	108.3848478	9.375956255
PE(20:1_20:4)-H	51.67509327	459.9232073	168.2758993	72.67675814	689.3870172	467.0218147	176.6092502	99.82253318	39.3891147	426.3281581	66.03409545	270.1034381	381.9407768	272.7594292	277.9205718	279.6754018	370.6767299	37.25022368	869.9764813	216.144717	49.1400943	136.62998	11.95972183
PE(20:1e_16:0)-H	12.69337513	58.17777116	20.51803201	8.517421125	81.52425347	54.34321046	14.2018491	12.49165328	6.922962795	69.10935272	17.90759586	29.40417364	39.32898578	43.89447523	30.10886256	14.1973638	42.23664892	9.633670617	34.01936244	18.23159089	7.850005504	20.66765548	3.765993226
PE(20:1e_20:4)-H	16.58424584	25.25016674	65.95952911	12.40609831	86.40480472	147.7279044	6.863048226	6.570519697	0.378742392	21.67318341	33.12942374	47.02685301	122.2937233	34.04098879	53.73639714	17.65763795	78.42944445	6.713156237	288.2017032	17.16494734	0.010727698	48.32533908	0.012249805
PE(20:4_21:0)-H	29.52514396	110.2269407	57.4948241	40.65091136	233.0377815	215.6263741	56.62818953	30.95952058	7.651131453	157.9852485	70.96539456	152.7965078	170.7482513	93.4573353	166.5305873	107.411984	160.779326	24.66761391	279.4807955	136.5429452	8.3258279	121.6609159	2.403015793
PE(20:4_21:1)-H	10.65526699	34.89965703	15.96944267	14.00244263	55.38744568	99.09519801	15.1936309	11.08764486	1.085769439	104.8284361	30.68131806	33.02836262	59.90235757	26.12285698	67.35158957	43.54047483	58.46432458	11.67693744	106.313486	99.44402244	2.219923204	46.8442574	0.550537405
PE(36:0)-H	17.99808729	46.35896567	23.19052983	21.78358504	88.58803756	41.78008336	20.69890514	17.00595803	14.2370171	52.55046577	24.7912183	34.55363773	62.94536371	45.1971135	44.52009236	15.42858219	47.62250233	26.14918875	55.74344267	30.85573782	19.8541959	35.31446153	10.69930802
PG(16:0_14:0)-H	0.239767305	0.850659842	0.172765261	1.121134244	1.031646762	0.726455816	0.910118935	0.467866985	0.409120366	1.216035528	0.508869868	0.740757892	0.411089251	1.03052012	0.627773458	0.373302404	0.23764408	0.456341333	0.123031975	0.730546383	0.340754338	0.433386049	0.276379873
PG(16:0_16:0)-H	0.884301816	3.191763412	0.880465503	4.102479493	4.383136968	2.021413849	2.043122945	2.357147559	2.093798791	3.950356997	2.873887698	2.508514582	1.385413455	2.583640785	2.748608214	0.589501374	1.855687177	1.980739873	0.639734758	2.624586742	1.390240421	1.682466528	1.432569658
PG(16:0_18:1)-H	66.30336126	94.35660828	56.770976	113.4794726	216.9207698	100.5149572	130.5386508	87.20560268	90.08709329	176.6222007	67.49183142	107.8551012	108.8892146	152.6352524	172.9344417	98.48884253	120.1999554	135.408191	23.03167704	167.826893	90.06000879	181.6643218	70.2303785
PG(16:0_18:2)-H	6.014598118	16.47520405	8.891616048	19.8770847	31.6695925	14.64186763	27.22257455	14.24313733	13.45251643	21.7089695	15.49512018	20.78817602	10.71174444	14.85742156	27.41157437	14.61132412	23.41893391	15.78351369	2.877082652	23.87068273	8.845932373	22.86363287	15.87367701
PG(16:0_20:4)-H	2.652673812	4.317614286	1.513652732	5.077622562	7.234369759	6.602072656	6.314388526	2.432949419	3.983366212	6.573834334	2.388558362	5.578535437	3.741378083	6.613735822	6.520713152	3.237772991	4.89173962	3.829643736	0.714836885	4.070274422	2.908329399	4.97254953	2.638259768
PG(16:0_22:6)-H	1.099574348	1.068945673	0.345368332	1.18298072	1.421867459	1.13532819	2.382137452	0.72556807	0.73487069	2.90514442	1.121322642	0.964313306	0.965152403	1.212112057	2.068922855	0.705036904	1.081566755	2.118424969	0.138821532	2.921463932	0.873906379	1.752156105	0.848152465
PG(16:1_18:1)-H	3.985986899	3.47814241	0.941958482	5.229648407	1.243532137	6.497896443	3.39203838	3.309416908	4.479764214	8.920125796	1.866091982	6.078969059	8.99102321	12.17429955	8.804733139	6.267801593	3.767774846	5.165844209	3.239160483	6.951883634	3.22388142	14.09529427	14.00931771
PG(16:1_18:2)-H	1.255568213	1.467712448	0.393485543	1.531952912	1.880186722	3.460370775	1.155338275	1.090140644	1.435956323	4.128131572	0.659732236	1.716296568	3.900519609	4.797085205	5.672795104	4.662768043	2.418460427	2.052663583	1.872225141	2.858659062	1.408959789	7.740518725	8.880683529
PG(17:0_18:1)-H	1.716923774	2.785082024	1.156516356	2.268588401	2.980875631	1.841828616	3.214645842	3.012363021	4.806517221	2.801289707	0.814675389	3.445343149	3.130243579	1.799215382	2.869773383	1.640007629	1.314001597	5.130077053	0.101697961	3.686494668	3.187699116	2.272044541	2.772151672
PG(17:1_18:2)-H	1.653754362	2.171360306	1.625632936	1.958426439	3.731371605	3.799647373	3.177041919	1.920620161	1.431348894	2.230531225	2.072752191	2.418413981	2.392845869	1.854474441	3.007574277	12.27729684	2.968628132	1.2190706	6.397578023	2.502369402	2.970494229	2.23213943	0.677912426
PG(18:0_18:1)-H	11.40093838	8.956505127	5.550303966	9.392789827	15.01075381	10.058758	9.429272162	5.19317148	9.808900446	15.87292991	4.845166485	8.371485692	8.369919863	14.13872598	12.90040157	7.429794774	8.01662425	18.5525985	3.759975337	11.49157585	8.881887826	14.34636121	6.029252561
PG(18:0_20:4)-H	2.90955032	7.251391753	2.809484774	9.551603905	10.14161479	5.928728677	8.924291407	2.399394492	8.970602929	9.901657826	3.696245419	9.448867529	5.095307515	11.3562584	6.94117515	4.425342496	4.837677292	4.019986547	0.770542113	3.664146223	5.607770549	7.24235329	4.135046443
PG(18:0_22:6)-H	1.174965252	1.518840588	0.49280739	1.713524582	1.845731833	1.434343364	2.357395438	0.5380009	1.197816127	3.566417003	0.647133192	1.18474109	1.264970777	1.647877751	1.637353893	0.582280376	0.910572126	1.773363752	0.215927986	1.591693293	1.503543872	1.965836358	0.897475432
PG(18:1_14:0)-H	2.127874449	3.320024808	1.079077401	4.501990932	6.344403421	4.220103741	4.548804024	2.643410161	2.601755677	7.93656922	1.622789662	3.884246721	3.656020553	6.693926692	4.584495073	2.606565712	1.987638655	3.339354906	1.022486987	4.337012262	1.909112182	3.703139824	2.091541028
PG(18:1_18:1)-H	32.94812227	37.16607703	14.92134447	40.38028068	52.48764952	52.4976442	28.77218866	35.10511624	40.73411052	58.63690878	30.33087162	56.94589007	77.08677102	83.22555249	71.27314088	37.49562934	30.09483474	45.30324193	16.10793136	58.49847128	39.372194	63.39024959	40.28893433
PG(18:1_18:2)-H	18.84685319	28.98131901	11.36034643	38.21451581	51.39727229	47.90097808	33.65106859	28.711492	32.38894684	53.41210553	28.0142561	47.96134782	55.29444353	56.88218052	98.58643976	69.53248966	63.25054543	52.33665198	17.24535716	62.17428133	37.2323048	116.6723001	92.29278827
PG(18:1_20:4)-H	7.122906248	4.694447856	5.361721934	8.514958848	12.41338454	11.92106904	8.029074832	12.35472217	10.55098556	11.12533105	9.768057074	11.68794187	12.77777012	26.51641147	20.76693791	17.76112099	7.096996253	12.33473975	7.071418902	20.16323795	14.77159615	17.86001286	29.09233312
PG(18:1_22:6)-H	14.8155131	4.233089797	4.826130694	5.549887873	8.459733833	10.41683465	18.51949552	14.33765001	6.002409688	22.10521239	12.10344109	7.059963203	14.56798956	17.39369887	20.22168631	15.76115912	5.889287346	32.40528882	5.714906078	44.56879987	18.20813004	25.5643811	21.88186751
PG(18:2_18:2)-H	3.363366395	7.097203442	2.758369802	8.932402825	13.7024936	10.80155636	10.4618312	7.115978821	7.536155144	13.46546891	6.797151327	11.15948827	14.18535912	13.33878414	37.40663137	36.19767446	35.83314817	14.85932202	5.916977335	18.76915501	10.04255532	67.1828892	45.00298666
PG(18:2_20:4)-H	4.704490818	3.223529296	3.053151583	5.628536465	8.414194044	17.1100423	8.397621791	7.513734508	6.474622183	8.062308396	6.093562063	7.088250988	7.543938172	14.03452086	20.47991805	20.17788576	9.820071697	10.95402233	5.444948556	22.45666916	8.630886801	23.06036119	32.45561555
PG(18:2_22:6)-H	5.691530436	1.859645333	2.454372814	3.0372566	4.123220701	5.822468959	11.9979416	6.623092966	3.075559032	10.26744104	6.197822612	3.476605242	5.941248701	8.241344521	15.00870191	15.98224267	5.242831709	19.80781393	4.649815483	27.13735834	11.42395569	25.62593261	20.78783396
PG(18:3_22:6)-H	0.368301929	0.085977486	0.146009783	0.143811024	0.177806534	0.261427809	0.736779036	0.319083901	0.177033151	0.618619329	0.321295728	0.202989786	0.441901215	0.562343821	0.678735155	1.140882487	0.290480958	1.185708155	0.502007566	2.636721509	0.574954291	1.489000879	0.592938582
PG(20:0_20:4)-H	13.55207512	7.036268891	4.58300335	12.48697034	15.04848718	12.4366372	26.41784832	8.105595808	6.814375481	8.206163098	6.175740458	9.62424178	11.1844402	13.08140434	9.006701082	8.685577313	7.270862662	19.87584378	24.86463937	38.59336692	7.162752614	7.222935938	2.704459697
PG(20:0_22:6)-H	0.624827438	0.21327673	0.102622608	0.661395579	0.440269294	2.291449785	1.198017117	0.52138196	0.353476807	1.130524368	0.717657842	0.356114355	1.258076434	0.971221841	1.693568712	1.131840845	0.257594524	4.046420358	0.914464142	4.503037532	2.121002455	2.343638373	1.357685837
PG(20:4_22:6)-H	1.937689724	0.310760557	0.70558023	0.689091414	0.845033548	1.050081396	2.417744573	1.998327323	0.7432806	2.132704188	1.819484026	0.902621426	1.224118222	2.371724898	2.745709308	3.252047184	0.623116505	3.606419715	1.447148074	7.070427987	3.172827607	3.293544394	3.60670721
PG(22:5_22:6)-H	1.335263591	0.302836253	0.456048412	0.476773708	0.861604466	1.177636583	1.563799441	1.654841462	0.657424323	2.109617088	1.024509149	0.693095528	0.613380038	1.256128203	1.635827925	0.863980212	0.304105645	3.015454172	0.351733027	1.627314232	1.585564987	1.215905526	1.747338309
PG(22:6_22:6)-H	3.098516989	0.257297676	0.38720134	0.465179916	0.558982678	0.961873775	3.811903378	1.373646716	0.372159912	3.463808119	1.491540343	0.484556478	1.08363178	0.989759502	1.685324962	1.709654312	0.400768145	7.872561381	0.796706779	12.36197234	2.453367202	3.201383061	2.000183311
PI(16:0_16:0)-H	0.498733396	0.274386596	0.221385544	0.463200928	0.276837314	0.256334357	0.36654731	0.20486495	1.073794835	0.539531001	0.629568909	0.271926964	0.28513954	0.420688263	0.402648599	0.099418367	0.172786827	0.564841347	0.255372184	0.253143898	1.248471519	0.326364999	1.053496255
PI(16:0_18:2)-H	5.840477424	5.027176349	2.174260382	2.824958559	2.647134452	2.868884371	4.505283599	1.889386255	3.53128344	8.327180042	2.438608586	2.776795054	3.529029601	5.331288165	4.757446655	1.617587327	2.68583097	4.905771586	0.540674101	3.497778557	3.829366815	4.456847226	8.907153765
PI(16:0_20:4)-H	6.785154717	6.041570399	4.826509359	6.063391638	7.321644732	5.981998475	5.467049428	5.341128229	6.932827317	11.44804458	6.674669696	5.893163933	5.322266629	7.668421623	6.986134955	3.324999567	4.460770461	8.225653484	1.40421459	7.952766437	6.641457927	6.179691354	7.770195784
PI(16:0_22:6)-H	0.479982174	0.20623316	0.232699925	0.223014894	0.164525293	0.25258043	0.531183738	0.312109011	0.229215701	0.739296889	0.626651119	0.170702445	0.156219475	0.236883845	0.298438258	0.087451938	0.184930223	0.788230737	0.017712035	0.728489566	0.411979408	0.331472091	0.580521241
PI(17:0_18:2)-H	0.424206838	0.527234427	0.265063692	0.396527384	0.350177363	0.360026146	0.484515379	0.220429003	0.518106314	0.719154511	0.308589839	0.369775565	0.381347473	0.301220712	0.572698368	0.239906575	0.404179253	0.623261594	0.149995002	0.438188916	0.46412591	0.457097023	0.770844379
PI(17:0_20:4)-H	1.623488489	1.684144246	1.034813612	1.862218058	1.431136889	1.421490453	1.377111203	1.181985579	2.542019156	2.199240364	1.216918188	1.720732548	1.280330415	1.140461351	1.763411968	0.735416482	1.087416604	2.282229578	0.49991376	1.662860904	1.783132034	1.311109044	1.59597952
PI(17:1_18:0)-H	0.508904	0.093451052	0.120848315	0.142380919	0.018659572	0.164742914	0.033475544	0.027866332	0.311922003	0.224135489	0.139975094	0.041962185	0.085200885	0.060448619	0.047494396	0.026728892	0.013644491	0.308266187	0	0.129814769	0.338105857	0.017181665	0.316991162
PI(18:0_14:1)-H	2.484015948	2.593712726	1.248408805	1.559957532	1.311733122	1.761731227	1.52837187	0.736985935	1.784999448	4.927244049	1.192894448	1.351057373	2.517699058	3.187418338	1.853599414	0.63226652	0.498589287	1.593561872	0.437216894	1.541210344	1.866826929	1.353880266	2.897386084
PI(18:0_16:0)-H	2.299353655	0.45317249	0.484519072	1.696642851	0.317333649	0.292455003	1.252291702	0.400375214	3.148488861	0.38636889	2.586373942	0.807366252	0.67002455	0.922949574	0.654191406	0.57100181	0.225389701	1.481627476	0.247134549	0.591496783	5.332992386	0.604232505	4.937635912
PI(18:0_16:1)-H	22.54974655	12.22685986	6.417591526	7.875905905	5.069254334	5.846096842	8.365791217	3.761632142	15.04109268	17.82923234	9.085175583	6.61223313	9.819855287	10.18682225	10.00313932	6.564035018	5.147559628	14.45105608	1.730823927	7.064041283	18.12441117	9.41673518	19.23914252
PI(18:0_18:1)-H	13.97845591	4.393750649	2.014563762	3.856690206	1.543656466	3.212005466	2.911365506	1.308576831	9.772949283	4.725853681	4.257226783	2.914083155	2.776189901	4.154050961	2.742429231	2.275064992	0.781897981	6.410190517	0.639435035	3.704853562	7.502132086	2.624559386	8.092576119
PI(18:0_18:3)-H	0.390466151	0.510162219	0.210168284	0.18653177	0.124097347	0.32361099	0.296801685	0.162696106	0.837893406	0.684243515	0.413787152	0.447601919	0.343684832	0.426412866	0.408289399	0.011700072	0.342544519	0.466926984	0.003507577	0.283807328	0.266213568	0.283762254	24.31088705
PI(18:0_20:2)-H	0.733803561	0.440078989	0.1902445	0.288997315	0.167295778	0.160279043	0.334182289	0.199835012	0.894749002	0.582721295	0.198044386	0.28988561	0.194910939	0.329456425	0.374280258	0.184299523	0.229025962	0.901518062	0.019845031	0.238949895	0.362477965	0.541622708	0.651889278
PI(18:0_20:3)-H	14.2364637	6.378978534	2.785033879	6.296801991	3.151330094	3.076115713	4.283314704	5.942709453	15.13137385	6.351492744	2.729172757	4.611087796	3.254318269	6.901380202	4.59873275	6.234680236	4.054764563	8.330112081	2.696676213	4.058171848	7.504358836	3.810850934	4.962184601
PI(18:0_20:4)-H	288.8921303	207.0107353	142.1629514	217.4131248	158.6661457	142.4764574	207.0514843	154.8255436	299.1367793	252.4367972	224.6909216	209.2543476	141.6841167	193.2790464	269.9724993	153.2943544	169.1291441	273.8693305	71.37011521	225.6931253	311.442772	222.0339333	238.93774
PI(18:0_22:4)-H	1.363867377	0.942974753	0.678212963	0.812798622	0.570133703	0.450188268	0.822600162	0.946466262	2.290532361	1.022865949	0.704102711	0.80663923	0.409934767	0.731895396	0.91202177	0.778133784	0.563558975	1.32359843	0.13439076	0.474849147	1.588037997	0.66914139	1.773682175
PI(18:0_22:5)-H	7.607528618	4.140571591	4.000439662	4.667915437	3.275554355	2.85990341	5.734573401	3.953148952	6.368086678	2.886475529	4.392003875	4.283164395	3.137514034	3.638426028	5.026890833	3.249528345	3.24735175	6.538866896	1.66881285	7.740928451	4.6493396	4.127936733	5.65906088
PI(18:0_22:6)-H	10.50323592	3.459403735	2.533570241	4.317161699	1.81685223	2.747992065	6.08284787	3.631554045	6.101035675	4.980053218	6.653336354	3.182277483	2.406217912	3.314304827	6.133954849	1.748670853	2.832383572	14.60946627	1.038306766	12.56707183	7.725743671	7.098745575	8.90360497
PI(18:1_14:1)-H	0.397033965	0.395328341	0.261255693	0.234665858	0.31795523	0.398833323	0.362177967	0.277846835	0.283278	0.475122333	0.343643075	0.364392272	0.449480116	0.299478403	0.378534295	1.283435595	0.477075831	0.139933621	0.703316195	0.347163736	0.414104862	0.341166927	0.228062588
PI(18:1_18:1)-H	21.85204656	22.47542446	18.35164711	14.12950124	15.28630589	10.54758595	25.07752444	11.23668142	23.97999509	29.86386398	21.39658873	13.78996476	10.50565464	11.82262697	33.02193989	22.15622755	30.03698688	24.17895413	5.435639343	23.76480502	28.49646866	35.26523244	42.00635141
PI(18:1_18:2)-H	5.793125006	12.4338633	2.266582733	4.46078949	5.083759244	4.896155793	9.864413384	3.280785244	7.317455431	13.4758878	4.057759197	5.25899309	5.748809759	6.649206381	11.50374235	3.418579246	8.261495861	9.046722814	0.49315065	6.961049931	6.388135562	11.12696003	25.10512779
PI(18:1_18:3)-H	0.230408051	0.620860908	0.08073038	0.241877177	0.225311704	0.516503665	0.590792096	0.100607973	0.486633001	0.805630823	0.19907147	0.421850409	0.316242849	0.359569173	0.584157034	0.064544804	0.406545495	0.76071275	0.002873941	0.559049978	0.269596822	0.657455823	1.601400931
PI(18:1_20:4)-H	29.41808847	30.21631155	9.595089354	19.67078285	16.57527118	19.98901593	24.2098288	16.19033484	25.19747479	43.68995974	13.9240858	18.71984901	21.56161943	23.21009041	27.03332538	9.834536548	12.94149673	27.36650195	3.331525232	20.97851723	19.76743749	17.00275082	35.73983521
PI(18:1_22:5)-H	1.398339962	0.983087403	0.385962322	0.677351405	0.558715415	0.611019197	1.221548877	0.597849954	0.879483875	1.34563307	0.565492232	0.67730576	0.736131024	0.702145336	0.886028743	0.32571181	0.495767679	1.184177669	0.043007557	1.023761096	0.763763354	0.551113332	1.49754102
PI(18:1_22:6)-H	0.781439258	0.30912871	0.131430571	0.22270857	0.146636143	0.309229853	0.64499379	0.256474371	0.314088305	1.386836863	0.441675725	0.230526646	0.25176305	0.252863034	0.402113423	0.057930626	0.141656535	0.81394729	0	0.72479252	0.453563277	0.289735959	0.882595002
PI(18:1e_20:4)-H	0.172239079	0.064065645	0.078467197	0.125585391	0.117284617	0.065607357	0.130877177	0.117138918	0.201818509	0.218845348	0.290235975	0.108372084	0.056979567	0.141902112	0.100400427	0.059479694	0.083545074	0.194577039	0.136977307	0.141022651	0.24326026	0.08875577	0.338503178
PI(19:0_20:4)-H	1.05886712	0.39187731	0.243006098	0.356135546	0.171991129	0.308086544	0.372178311	0.361526737	1.421096071	0.381285858	0.440594408	0.472339917	0.066509566	0.277627194	0.397428497	0.268794995	0.104435788	1.052432185	0.111450661	0.292339909	1.088641657	0.234668246	0.87185853
PI(20:0_20:4)-H	0.263008832	0.109920446	0.080282397	0.107435417	0.078185137	0.06512319	0.115905152	0.097172255	0.38600203	0.08970492	0.133001221	0.13114826	0.045065577	0.149690124	0.129354585	0.102257036	0.066721334	0.314827654	0.050000538	0.112676425	0.237563878	0.078173963	0.221783412
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
CL(10:0_20:3_14:0_14:0)-H
CL(18:2_16:1_18:2_18:2)-H
CL(18:2_18:1_18:2_18:1)-H
CL(18:2_18:1_18:2_18:2)-H
CL(18:2_18:2_18:2_18:2)-H
CL(18:3_18:2_16:1_22:6)-H
CL(20:5_16:1_18:2_18:2)-H
CL(20:5_18:2_18:1_18:2)-H
CL(20:5_18:2_18:2_18:2)-H
LPE(14:0)-H
LPE(16:0)-H
LPE(16:0e)-H
LPE(16:1e)-H
LPE(18:0)-H
LPE(18:0e)-H
LPE(18:1)-H
LPE(18:1e)-H
LPE(18:2)-H
LPE(18:2e)-H
LPE(18:3)-H
LPE(20:1)-H
LPE(20:2)-H
LPE(20:3)-H
LPE(20:4)-H
LPE(20:5)-H
LPE(22:3)-H
LPE(22:4)-H
LPE(22:5)-H
LPE(22:6)-H
PE(16:0_16:0)-H
PE(16:0_18:1)-H
PE(16:0_18:2)-H
PE(16:0_20:4)-H
PE(16:0_20:5)-H
PE(16:0_22:6)-H
PE(16:0e_20:4)-H
PE(16:1e_20:4)-H
PE(16:1e_22:6)-H
PE(17:0_18:1)-H
PE(17:0_18:2)-H
PE(17:0_20:4)-H
PE(18:0_18:1)-H
PE(18:0_20:1)-H
PE(18:0_20:3)-H
PE(18:0_20:4)-H
PE(18:0_20:5)-H
PE(18:0_22:4)-H
PE(18:0_22:5)-H
PE(18:0_22:6)-H
PE(18:0e_18:2)-H
PE(18:0e_20:4)-H
PE(18:0e_22:6)-H
PE(18:1_18:1)-H
PE(18:1_18:2)-H
PE(18:1_20:4)-H
PE(18:1_22:5)-H
PE(18:1_22:6)-H
PE(18:1e_18:1)-H
PE(18:1e_18:2)-H
PE(18:1e_20:5)-H
PE(18:1e_22:5)-H
PE(18:2_20:4)-H
PE(18:2_21:0)-H
PE(18:2_22:6)-H
PE(18:2_23:1)-H
PE(18:2e_20:4)-H
PE(18:2e_22:6)-H
PE(19:0_18:2)-H
PE(19:0_20:4)-H
PE(19:0_22:5)-H
PE(20:0_20:3)-H
PE(20:0_20:4)-H
PE(20:1_20:4)-H
PE(20:1e_16:0)-H
PE(20:1e_20:4)-H
PE(20:4_21:0)-H
PE(20:4_21:1)-H
PE(36:0)-H
PG(16:0_14:0)-H
PG(16:0_16:0)-H
PG(16:0_18:1)-H
PG(16:0_18:2)-H
PG(16:0_20:4)-H
PG(16:0_22:6)-H
PG(16:1_18:1)-H
PG(16:1_18:2)-H
PG(17:0_18:1)-H
PG(17:1_18:2)-H
PG(18:0_18:1)-H
PG(18:0_20:4)-H
PG(18:0_22:6)-H
PG(18:1_14:0)-H
PG(18:1_18:1)-H
PG(18:1_18:2)-H
PG(18:1_20:4)-H
PG(18:1_22:6)-H
PG(18:2_18:2)-H
PG(18:2_20:4)-H
PG(18:2_22:6)-H
PG(18:3_22:6)-H
PG(20:0_20:4)-H
PG(20:0_22:6)-H
PG(20:4_22:6)-H
PG(22:5_22:6)-H
PG(22:6_22:6)-H
PI(16:0_16:0)-H
PI(16:0_18:2)-H
PI(16:0_20:4)-H
PI(16:0_22:6)-H
PI(17:0_18:2)-H
PI(17:0_20:4)-H
PI(17:1_18:0)-H
PI(18:0_14:1)-H
PI(18:0_16:0)-H
PI(18:0_16:1)-H
PI(18:0_18:1)-H
PI(18:0_18:3)-H
PI(18:0_20:2)-H
PI(18:0_20:3)-H
PI(18:0_20:4)-H
PI(18:0_22:4)-H
PI(18:0_22:5)-H
PI(18:0_22:6)-H
PI(18:1_14:1)-H
PI(18:1_18:1)-H
PI(18:1_18:2)-H
PI(18:1_18:3)-H
PI(18:1_20:4)-H
PI(18:1_22:5)-H
PI(18:1_22:6)-H
PI(18:1e_20:4)-H
PI(19:0_20:4)-H
PI(20:0_20:4)-H
METABOLITES_END
#END