#METABOLOMICS WORKBENCH AnthonyDon_20240320_214956 DATATRACK_ID:4732 STUDY_ID:ST003168 ANALYSIS_ID:AN005198 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                      	POSITIVE
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
MS:MS_COMMENTS                   	background ions was used based on a solvent blank. An inclusion list was used
MS:MS_COMMENTS                   	for all internal standards. LipidSearch software (version 4.2, Thermo Fisher)
MS:MS_COMMENTS                   	was used for lipid annotation, chromatogram alignment, and peak integration.
MS:MS_COMMENTS                   	Lipid 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_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
AcCa(10:0)+H	0.362467522	1.253621406	0.589146832	0.736702008	4.523508561	0.006904909	8.397546787	0.12513828	0.231662081	7.290310622	0.645645012	0.329894129	1.59372977	0.394478499	0.56762472	0.262200676	0.151346685	0.200438748	0.418258306	0.478204126	0.269815697	2.681197252	0.394372914
AcCa(10:1)+H	0.025666484	0.069134792	0.017770574	0.059811189	0.13906544	0.009878045	0.213499444	0.024202354	0.064850189	0.242790426	0.104077443	0.075236949	0.048488819	0.063582986	0.074143698	0.036022637	0.025426569	0.008766467	0.071816625	0.036879944	0.054844859	0.138613172	0.054895404
AcCa(12:0)+H	0.363294456	0.800872672	0.379949206	0.74953815	2.211232689	0.019148435	3.407287208	0.142934531	0.447444143	3.951070321	0.903638517	0.397924153	1.037475771	0.616454646	0.700232716	0.42126317	0.236116665	0.254516646	0.805174132	0.669276322	0.721096898	1.415753412	0.468513987
AcCa(12:1)+H	0.074629317	0.113261643	0.02057845	0.188288263	0.090293236	0.027113006	0.02967299	0.042557363	0.137642128	0.262791774	0.102204926	0.159574229	0.200524904	0.173895886	0.404882061	0.104226334	0.036832182	0.020482271	0.30394986	0.090221541	0.200306909	0.112960534	0.090435869
AcCa(13:0)+H	0.121564946	0.06778118	0.018459005	0.10709829	0.074346462	0.048280135	0.113106861	0.024589547	0.130260613	0.398869652	0.201671736	0.131321734	0.119984856	0.063569738	0.120594267	0.063951451	0.032850499	0.068157622	0.182016387	0.202853153	0.32945876	0.076236917	0.167981898
AcCa(14:0)+H	3.175058529	3.265216552	1.07132465	2.625372979	4.455882732	0.545569835	2.395628647	0.618807209	2.818348745	4.936890554	3.924430055	2.639679652	6.100767285	2.469091318	3.898479553	2.697806245	0.718576101	0.812779457	4.84001115	7.132078702	3.541627028	4.155798903	1.730665425
AcCa(14:2)+H	0.020422121	0.04413321	0.029814438	0.041278942	0.087922116	0.001478326	0.007271079	0.022676425	0.118085921	0.038829067	0.075176268	0.080715086	0.169873216	0.081487126	0.356357042	0.110388366	0.052205521	0.009335553	0.325660292	0.137343888	0.189368438	0.093506565	0.073285674
AcCa(16:0)+H	10.00469234	9.719817074	6.665248925	3.749387377	16.84894729	2.411108434	0.84425828	2.209369168	8.810640927	9.972786971	7.400008178	6.087849768	40.46742413	7.90423801	9.546487471	7.606411395	2.016675583	3.716220529	16.54708867	21.23718282	7.41888765	19.62357134	9.113379698
AcCa(16:1)+H	2.888840527	5.155194594	2.128383146	1.781072714	7.057507889	0.912859196	0.153543982	0.863121157	3.933471926	4.51791641	3.553207647	3.511144768	17.15739331	5.32067261	7.595584046	3.985211905	0.627350695	0.663481355	8.370640484	8.525251891	4.885501791	5.782946812	2.045234257
AcCa(17:0)+H	0.363880933	0.6332007	0.196153622	0.299532578	0.725177863	0.081418778	0.051161053	0.119451018	1.199790463	0.681822364	0.391731708	0.376600409	0.883286488	0.573281245	0.533988813	0.233012057	0.072760481	0.297635592	0.335054619	1.541586014	0.842737532	0.409220677	0.983734098
AcCa(18:0)+H	8.708022517	2.303096989	3.796383041	3.497523047	3.939223095	2.539309041	0.134754276	1.738191668	5.792026448	3.484668077	8.141347076	1.693057502	13.65844592	2.61684015	2.711694741	3.102023039	1.178767366	2.416012242	6.889302611	5.093414939	4.896443665	2.517037884	8.038590187
AcCa(18:1)+H	8.983339334	13.69491936	10.24584934	3.787425237	22.58227312	3.499749996	0.471347791	2.255501124	12.38237251	11.41373815	6.317473128	7.91358209	88.69423173	9.000717723	15.52504361	9.541259875	1.990156759	3.539576036	26.40413213	22.12337002	11.04656414	9.474595606	10.61750962
AcCa(18:2)+H	0.719649235	2.63262317	1.484324276	0.917776986	5.332099327	0.863337161	0.17320554	0.373264362	2.565053315	2.130101607	1.034731575	2.018357346	8.965383411	1.776839643	5.906803393	1.567159145	1.076328752	0.607467068	3.737629283	4.852047052	2.810595913	3.281257652	3.470817774
AcCa(18:3)+H	0.022176482	0.220222521	0.105451274	0.037468439	0.270482436	0.033989457	0.013695521	0.023828878	0.214718862	0.245939253	0.034212119	0.205064224	0.705793213	0.189357873	0.392949865	0.100530511	0.066171273	0.061152256	0.249230254	0.494323734	0.226690812	0.302345171	0.121941426
AcCa(19:0)+H	0.888266885	0.372243579	0.214424914	0.525214837	0.410144916	0.161819908	0.020330361	0.201518724	1.099963188	0.539574441	0.97080364	0.2165965	0.50141207	0.450501907	0.358388476	0.201277375	0.082329758	0.292798148	0.122382783	0.926527263	0.866877267	0.254477204	1.008881714
AcCa(19:1)+H	0.301765168	0.765023734	0.183625406	0.311620958	0.815916591	0.072526658	0.032022551	0.122185293	1.758137033	0.810342239	0.313885385	0.370969637	1.232294197	0.671428462	0.725933764	0.224420791	0.047133759	0.234293961	0.184668029	1.672062438	1.404253248	0.389111365	1.279277691
AcCa(20:0)+H	1.738555804	0.021539417	0.122440792	0.467613791	0.040065704	0.045177427	0.003077646	0.191020938	0.17655899	0.074486091	1.330540789	0.024550132	0.130631541	0.019931006	0.032780044	0.178998632	0.154787222	0.079104363	0.175803018	0.074678196	0.084574266	0.077133027	0.720219921
AcCa(20:1)+H	9.597175852	1.29536408	2.463936979	1.992017437	2.223260679	1.525614175	0.037780614	1.075479887	2.401338548	2.118600018	6.158030204	0.638586766	9.195085912	0.443754045	0.829989439	2.618251485	0.470906982	1.095001376	3.486918931	2.654397622	1.168850431	1.426750347	6.471782475
AcCa(20:2)+H	0.832929663	0.579062995	0.797886179	0.433363128	1.218413799	0.171281019	0.026276102	0.3194156	0.68854613	0.773233136	1.100426843	0.332490923	2.275862987	0.170666571	0.572209864	0.702255729	0.280653816	0.290281734	1.095199706	1.268549654	0.293201693	0.931468711	2.417001732
AcCa(20:4)+H	0.028379934	0.041101869	0.102606593	0.103792195	0.081905502	1.43239938	0.007256052	0.012103072	0.082797639	0.047113972	0.057537845	0.115953966	0.251961122	0.155887777	0.396199612	0.166206005	0.076041143	0.01982926	0.241586272	0.117024311	0.420164816	0.077011056	0.084776372
AcCa(21:0)+H	0.310231339	0.007204921	0.017442339	0.12827483	0.009439277	0.006805273	0	0.039657702	0.081587645	0.028663597	0.315409518	0.007245778	0.012135094	0.007643288	0.009014883	0.019132129	0.021948772	0.025143666	0.002102572	0.031036864	0.021471595	0.015364765	0.185250331
AcCa(21:1)+H	0.785610038	0.193237882	0.100665447	0.30473258	0.212883113	0.062262729	0.003574533	0.130818668	0.681410588	0.340652476	0.723448402	0.090376801	0.277776885	0.087212112	0.111359023	0.134569316	0.020176095	0.155030287	0.040525569	0.486602045	0.26720664	0.137464698	1.197956223
AcCa(22:1)+H	2.683980781	0.019646446	0.103641767	0.396012169	0.036233227	0.062457098	0	0.13806172	0.103528731	0.062710503	1.343471733	0.012855098	0.127696638	0.008683997	0.015194281	0.191888312	0.159617532	0.057675896	0.100607047	0.0514309	0.043091155	0.055197661	0.822073654
AcCa(22:2)+H	0.649241533	0.02096649	0.124124201	0.212772661	0.060503317	0.082197206	0.000765949	0.118298558	0.113592143	0.062220895	0.749498815	0.015430788	0.115927461	0.001460817	0.02519751	0.135164974	0.13491945	0.054045696	0.090042953	0.078180957	0.02122731	0.088225534	1.449825927
AcCa(22:4)+H	0.00854012	0.027067193	0.187541541	0.014822248	0.088959482	0.030784676	0.00165219	0.014219752	0.040489385	0.077425751	0.028750269	0.026983279	0.250121679	0.022645035	0.043075733	0.01700822	0.011777329	0.012418458	0.103125001	0.081114607	0.050640665	0.016224445	0.044655148
AcCa(6:0)+H	3.445470955	3.940144707	0.570633233	3.519878946	1.781048727	0.02930042	3.936817155	0.459156161	2.531265671	12.40622813	8.178949863	2.059259062	0.669872421	0.351444085	1.470574106	2.697686096	0.532269394	0.174300725	1.214988585	2.323755075	0.260136392	2.024411877	2.15271375
AcCa(8:0)+H	0.665784674	4.029473458	1.203924831	1.671269282	9.684660823	0.015989239	25.27904181	0.164328002	0.396053622	20.75374295	1.652233499	0.359091872	2.812782204	0.230857638	0.415351334	0.466788712	0.195031904	0.380316684	0.370885575	0.707635233	0.1658408	9.284484369	0.922379989
AcCa(9:0)+H	0.05550984	0.071922889	0.027618546	0.102916615	0.047245269	0.016234754	0.122138236	0.017688557	0.048777714	0.283025945	0.197119918	0.055189494	0.046659527	0.027884902	0.025504085	0.045178519	0.022950604	0.006061528	0.077791461	0.175525292	0.031275927	0.049181076	0.121193149
Cer(d18:1_12:0)+HCOO	0.193258666	0.519103847	0.271477056	0.152954905	0.546794921	1.166395591	0.257046001	0.11988389	0.17965889	0.937000127	0.587027661	0.471344671	0.234467785	0.19708943	0.759959528	1.542892802	0.398027047	0.086011075	1.182898329	0.286291799	0.089948151	0.215237331	0.056148765
Cer(d18:1_16:0)+HCOO	0.901736555	0.933006699	0.483785361	0.861592114	1.508536886	19.62844853	0.953277081	0.602467191	0.823093523	1.416526447	0.965542603	1.107079347	1.118460984	0.979956795	1.5570814	0.623187631	0.863410849	1.068293634	2.062056521	0.875667114	0.789881632	1.104270382	0.981258543
Cer(d18:1_18:0)+HCOO	1.1881738	0.436360494	0.224041779	0.953856559	0.450889654	6.976715869	0.65924961	0.430585483	2.314235382	0.455749666	0.738274424	1.182204146	1.059479554	0.654770115	0.981201113	0.379849503	0.528399488	1.561640904	0.816613069	1.004089715	1.138997313	1.249680621	3.554449938
Cer(d18:1_22:0)+HCOO	0.386348624	0.088535466	0.084279239	0.227670157	0.126788706	0.542337561	0.333445702	0.126306611	0.874602106	0.111835118	0.260571434	0.174427494	0.108080395	0.125702781	0.306690849	0.530962428	0.146495427	0.851238339	0.540530463	0.195519798	0.547813986	0.228227457	1.370657099
Cer(d18:1_23:0)+HCOO	0.13297267	0.069700408	0.086424615	0.160131779	0.167541426	0.266418222	0.173700083	0.062889621	0.363285518	0.089163975	0.131192497	0.080309082	0.080191868	0.078349755	0.134309121	0.463330668	0.090721523	0.562770317	0.528126267	0.105525926	0.28509143	0.119810348	0.46498493
Cer(d18:1_24:0)+HCOO	0.496173453	0.118714508	0.079799403	0.329510101	0.16529555	0.273381832	0.377319605	0.121861029	0.82067235	0.169242418	0.347993287	0.158857611	0.123279888	0.169648515	0.327715648	0.880681915	0.156531089	1.109447979	0.774956438	0.229063157	0.725558526	0.264618799	1.142059479
Cer(d18:1_24:1)+HCOO	1.833892782	0.513306959	0.500337985	0.619602111	0.772348643	3.002173014	1.133200521	0.330836132	3.512128667	0.495673893	0.904995396	0.758355524	0.788255805	0.684319941	0.976990888	1.001182033	0.735137053	4.754664286	1.168942768	0.861139246	2.352100165	1.955374368	3.209515438
Cer(d18:2_18:0)+HCOO	0.511700689	0.772798533	0.327616396	0.477980995	0.674904195	19.47983704	0.49772045	0.313404988	0.757467302	0.531266121	0.307117626	1.250871125	1.497237066	0.596229655	1.508327021	0.298492183	0.726309876	0.831465004	1.63089249	1.517664024	0.51312864	1.333962683	0.670569533
Cer(d18:2_22:0)+HCOO	0.603058076	0.233772869	0.207486234	0.175363338	0.233252185	0.92203125	0.248530818	0.100580205	0.92165786	0.120015291	0.198910398	0.316708886	0.219867934	0.168148382	0.447089162	0.224012698	0.312952522	1.345999945	0.30831932	0.2662874	0.657846692	0.446424433	0.851786787
Cer(d18:2_23:0)+HCOO	0.062773892	0.021550938	0.024536155	0.030422287	0.033578885	0.217648572	0.051477861	0.013766509	0.157714257	0.016520013	0.029466832	0.043230474	0.062043161	0.020088669	0.052011631	0.018981496	0.038806062	0.240359777	0.058668006	0.050294578	0.102276234	0.060106928	0.080190381
Cer(d18:2_24:1)+HCOO	1.313125918	0.514900456	0.57393999	0.307464391	0.783647991	1.472355197	0.54587319	0.265329424	2.014251847	0.352812782	0.455837016	0.768940965	0.911798584	0.454397781	0.793627994	0.309926618	0.628320429	3.315209421	0.839731749	0.835733484	1.153259838	1.467544501	2.036515909
DG(16:0_16:0)+NH4	13.60932567	15.71077892	22.75509931	15.05716495	32.46855091	71.95037979	46.92989812	25.3414231	6.957297762	22.64678143	22.82091276	31.88620035	43.31461554	24.5678646	32.44922949	76.46174162	26.70195624	3.654180373	231.9840138	23.89697686	14.14065286	23.4197451	5.670636254
DG(16:0_18:1)+NH4	20.24270396	18.39340813	61.73823239	18.62172436	31.06443683	134.8278158	35.87330373	16.85065369	19.2407258	20.86105093	15.93226904	26.78959273	51.03541943	46.44178448	30.89840475	31.99394085	17.83442071	21.18304621	113.99196	20.67471314	22.72295474	36.09805193	18.58546179
DG(16:0_20:4)+NH4	1.252739238	3.596670136	3.903832978	1.667854715	5.064147463	11.13695961	2.306461203	1.167788295	3.13634054	6.816288142	4.403524648	3.881372363	4.007419884	5.019842259	7.541073531	2.321448817	2.967777282	2.109975738	2.379596458	2.2541813	2.785554342	4.02069071	2.219411028
DG(16:1_18:1)+NH4	2.549669927	7.988880377	32.13255791	4.745759965	13.9988596	60.91267162	17.67972316	13.23206844	10.69835712	8.447517077	10.35076264	11.05478417	26.82989935	15.35032949	21.72723757	21.69613637	21.70839371	5.734442284	44.6487443	16.86474968	5.198797703	45.25455895	16.56297654
DG(18:0_16:0)+NH4	23.38706468	29.33783851	44.59869321	26.58448667	73.64417893	110.4162505	84.5263235	47.16935305	11.31647611	50.01847398	37.94808684	61.07259678	79.41537622	46.67504016	72.52620301	153.034881	63.57102117	4.022440632	547.5159463	53.77231055	28.95472648	51.83251456	8.751166663
DG(18:0_18:0)+NH4	15.31177588	19.46725446	27.57428437	18.23952233	46.8610668	82.16566458	61.12278152	27.69672615	6.819843494	32.56965539	24.80591894	40.02271115	51.65525987	30.66443571	51.05778802	118.2885276	39.79780887	3.060656045	432.9112973	36.64076266	20.5284229	29.63613426	4.707953094
DG(18:0_18:1)+NH4	3.978572889	3.70956281	4.368603705	5.126523332	5.735950488	18.83848436	6.735613861	3.314179064	6.159546488	3.507236917	4.943808933	5.086937783	7.099375275	7.537211762	6.268837096	7.483389997	3.913671572	5.298246254	30.47194173	4.152502324	5.683979995	5.15260298	3.069856706
DG(18:0_18:2)+NH4	25.15871488	26.06132826	42.64692561	21.93550695	29.50562613	146.0235202	35.5490292	13.90066259	33.30000567	26.92878851	25.70569265	30.51893925	65.06992427	51.53660029	59.58904323	35.07174842	23.04984222	25.94727399	97.09855983	21.15867415	28.2665585	35.72011302	26.80162999
DG(18:0_20:3)+NH4	1.355515467	1.671175622	0.512708529	2.091252411	0.794508234	2.781638962	1.938071039	1.48912315	4.063828472	2.731935294	1.375110591	2.647362994	1.041319396	1.619872174	2.83259298	2.727517561	0.429992796	2.058819921	5.211382077	1.218762571	1.115780941	1.432161628	0.9541169
DG(18:0_22:5)+NH4	0.771368345	0.808222967	0.117692233	1.301521804	0.238004954	1.161774168	0.948564474	0.352301813	3.402123144	0.540785795	1.677675737	1.098341728	0.118884059	0.547415148	1.509939745	0.103372682	0.059331445	2.080446557	0.315937301	0.943591646	1.125901433	0.348287744	1.259092323
DG(18:1_14:0)+NH4	7.373974412	10.39275506	75.18938781	4.959246512	19.58730897	91.44539499	28.66384356	13.43471042	5.076050177	16.07822772	8.149406825	16.30339913	39.24056174	35.15974357	24.62955344	22.54522432	15.80174836	3.607004942	60.97113244	14.71015468	6.870420373	22.24200199	5.788499222
DG(18:1_18:2)+NH4	9.694443446	19.6944387	31.19180276	13.45860131	22.13374985	101.0598247	24.13606131	8.015032088	16.74128051	18.82878376	11.15137128	19.43515284	37.98311879	25.23899186	53.95115035	12.70577975	22.96546393	15.22077036	34.02334983	15.98197836	12.01979508	35.63978536	19.80603143
DG(18:1_20:4)+NH4	3.412422738	9.333550539	3.801858369	4.351346083	4.642065758	21.00569298	3.601601435	1.651634373	9.563096755	14.65203005	5.504890869	7.426678129	7.130684501	7.097342126	14.75756344	1.432784547	2.704015931	4.678101913	2.065298528	2.991698254	4.285688553	3.850139963	5.069055313
DG(18:2_18:2)+NH4	10.78517425	34.04539009	17.80520596	27.76570727	25.09925895	61.01924252	36.92736143	12.52633736	62.09500795	43.53648774	23.17741388	39.31355265	20.62156133	59.71633565	66.78558758	8.738640134	28.73639074	15.01058575	45.022548	30.39492532	21.75258316	45.67201375	26.56628831
Hex1Cer(d18:0_20:4)+HCOO	5.389430795	4.805699233	6.494585116	6.369928535	6.778598874	4.878627026	6.414083717	5.886801741	7.328999699	3.869104322	7.215559863	6.241843777	6.95747418	7.437737241	8.563985172	0.963247985	4.21756314	6.962993605	3.038303297	4.178110521	11.04574728	4.998383381	2.94106418
Hex1Cer(d18:1_20:4)+HCOO	8.091978981	6.436455326	6.018038422	7.700737451	8.281668031	6.411405529	8.866562183	7.722787479	8.115867621	7.17235977	5.434466885	6.572653215	9.818522912	9.017365578	8.568609727	2.037092679	4.824971744	7.597538744	5.523024676	6.318930063	9.64459338	4.452951751	3.910157244
Hex1Cer(d18:1_22:4)+HCOO	14.15256677	17.62472607	12.6756989	16.63991083	12.91913137	14.95118078	12.18555722	15.54450119	4.323035992	29.32066505	17.34570287	16.68856876	29.62915995	20.51910312	22.29768247	3.080911642	14.8494244	13.86570968	4.923761841	18.06012346	3.630446196	20.35053353	1.895987977
Hex1Cer(d18:1_24:0)+H	0.374160837	0.136610955	0.155747656	0.058713273	0.009352034	0.007029139	0.094785888	0.214918629	0.622110275	0.087526074	0.322250668	0.024691944	0.1061305	0.100077224	0.175598594	0.264726797	0.148096296	0.942456315	0.060360328	0.010213871	0.650246449	0.134871238	0.367193988
Hex1Cer(d18:1_24:1)+H	0.338251323	0.043994238	0.079062877	0.077063424	0.032406757	0.012412852	0.044656907	0.1463199	0.433468231	0.010523777	0.082601715	0.047389696	0.102951087	0.11689919	0.125673357	0.015371428	0.053221873	0.358211616	0.000669762	0.012426853	0.264186869	0.169251269	0.401056975
Hex1Cer(d19:0_20:4)+HCOO	4.505242282	1.474529384	2.032071855	4.213461086	2.688345808	2.990261993	2.667322381	2.228993321	1.576521159	2.49071076	5.796459977	3.597586969	4.313961245	3.05719497	4.950217885	0.767409641	1.970220708	4.969354916	1.725204281	3.906050223	1.534672537	3.815356931	0.72914714
Hex1Cer(d20:0_22:6)+HCOO	0.997502666	1.562860887	0.661490807	1.206669979	1.388152281	0.850456594	2.497482834	0.782987326	0.900496518	2.001607689	1.582869039	2.060323697	2.136539422	1.511268118	3.197450505	0.387416658	2.149527332	1.961438624	0.244679956	1.144294137	0.331891684	3.482935174	0.569826176
Hex1Cer(d41:1)+HCOO	0.078523038	0.002269535	0.004967309	0.040058888	0.00318368	0.001014573	0.012354784	0.016199492	0.231959338	0.007558069	0.077872566	0.006743341	0.012870823	0.017052725	0.011135329	0.001668842	0.003658393	0.195337672	0.000485251	0.012831961	0.231836765	0.022905324	0.262109881
Hex1Cer(d42:1)+HCOO	0.194843123	2.74E-09	0.013509555	0.045173158	0.007970703	0.002572491	0.025807742	0.035991026	0.420108205	0.011867496	0.099229617	0.012619037	0.014647012	0.032454498	0.021676052	1.88E-09	0.007497805	0.337600368	0.003259185	0.019278883	0.328265789	0.031562112	0.740977667
Hex1Cer(t18:0_22:0)+H-H2O	0.3781375	0.213631757	0.107424041	0.175629712	0.228868426	0.032961873	0.088091157	0.238779297	0.754647504	0.111919819	0.376999145	0.059385582	0.091816859	0.196078525	0.275356041	0.248248814	0.038201539	0.678233224	0.302570854	0.093174651	0.81121702	0.260429868	0.508614748
Hex1Cer(t18:0_23:0)+H-H2O	0.180980463	0.088110259	0.091859954	0.072737106	0.046963031	0.010094284	0.036758804	0.072497694	0.216458437	0.066908284	0.090584485	0.086720939	0.012652663	0.093021065	0.040665101	0.099189659	0.082712266	0.376124406	0.110471035	0.087038228	0.207811302	0.119766311	0.16624132
Hex1Cer(t20:0_20:4)+HCOO	12.32731221	2.482238979	10.18528866	8.310570887	4.179204756	10.96349024	3.099312757	3.05343113	0.438450948	2.446032071	16.96811524	7.56891403	17.16639102	6.765483298	12.52706129	1.061358671	7.266079242	6.531077376	13.62652201	2.362962432	0.771929549	9.357367964	0.258401307
Hex1Cer(t20:1_20:4)+HCOO	44.39171677	11.74041445	32.83972628	26.78395919	26.32623938	39.92603941	16.69106295	15.3595173	1.936072146	15.75793239	46.99856425	28.53859831	65.15110641	23.33824052	43.3287848	4.6748766	27.02466427	31.58766994	39.19898987	18.09338818	1.334467695	35.06582447	0.260422156
LPC(14:0)+H	5.736384124	4.227645383	2.071391731	9.786457715	6.584799238	8.386076685	7.583700311	5.037636373	13.16215338	11.61476881	5.332723108	6.516312647	7.455716246	13.64938716	7.90591448	3.674321482	3.07908045	9.160539859	3.480201476	11.1042007	24.64771878	5.252443544	15.4362458
LPC(15:0)+H	1.936169648	2.253774772	0.999664864	5.369264841	3.457002818	6.221896449	3.151689422	3.320804083	6.944611391	4.47791836	2.744290369	3.75561082	3.448238775	3.928544006	3.921410589	1.570990756	1.627666127	4.248310712	1.737875517	4.706881355	12.88202235	1.86968817	4.64532179
LPC(16:0)+H	322.942388	230.8886037	93.80779158	303.5213775	327.2629813	486.0554003	348.3287818	332.4865685	616.106867	435.0452839	290.2236853	326.5984696	207.184197	426.8176671	398.1181879	113.4072944	235.7079841	376.6726707	83.3097378	421.2849947	870.2724712	328.2309286	673.1096056
LPC(16:0e)+H	2.001623407	1.343271583	0.500508238	1.685777081	2.243632687	2.550856206	1.49655674	1.294148919	4.208340479	2.116810218	2.461523627	1.847294963	1.368484457	2.417601472	1.679500764	0.632193953	1.009688432	2.226739265	0.474854046	2.066396645	4.60839851	1.515926323	5.52976491
LPC(16:1)+H	19.43866277	6.928227092	4.025756624	10.16536042	10.75183381	13.1540912	11.22947153	12.86344848	22.41333071	33.59889168	7.452741003	11.65412196	17.27028861	23.2541002	16.60260915	4.574558906	6.844430597	12.34272946	3.949106734	14.141279	43.34700798	11.04340111	37.97354439
LPC(16:1e)+H	8.80131202	5.992383017	6.568946643	13.51345376	7.063817727	25.88527555	7.255933872	6.68206676	6.733957613	10.71149632	15.34135914	12.55357881	7.814781088	5.053120941	15.19635268	3.737914398	8.770364331	8.655940045	6.158789109	7.771254523	7.435094034	11.67137164	6.467325157
LPC(16:2e)+H	2.574340324	1.634016576	0.692482432	2.481187587	2.437641091	3.947546725	2.65244938	2.585258152	4.560336441	3.228370931	2.176868001	2.351266668	1.540795686	3.385322472	2.713960108	0.867546182	1.756067687	2.789658605	0.665054604	3.433516659	6.948583224	2.294209986	5.56334266
LPC(17:1)+H	1.27764352	0.907393157	0.350933312	1.836788365	1.337439356	2.027449991	1.181119264	1.091018745	3.191421886	2.644340361	0.814870314	1.639771367	1.679222835	1.482235766	1.452279881	0.525872651	0.64146465	1.265864593	0.533708735	1.479824257	4.291167807	0.747203616	2.327163792
LPC(18:0)+H	33.26174263	22.0907301	12.37299169	28.70063057	36.66537144	74.33590452	37.68240893	34.25490483	68.60346355	35.74929377	27.35056395	34.78413031	20.46696481	40.69095263	35.70661194	10.38274631	21.96836129	55.80111866	8.921322328	41.05514444	46.5583689	27.4251917	61.18687932
LPC(18:1)+H	509.2464729	320.4125326	125.7745124	430.7825439	318.4722603	444.9212982	419.139223	419.8601072	623.949933	801.2011536	414.3476602	462.220362	328.8992568	535.3032096	465.9580823	169.7999681	300.9239937	293.3614893	111.7221562	561.4040701	930.6227159	374.3288647	540.9247326
LPC(18:1e)+H	1.401757005	0.694098543	0.347961687	0.848815556	1.224427687	1.681225386	1.186042232	1.075988849	2.44950498	1.206290154	1.722046128	1.098591305	0.702431292	1.312606316	1.03233044	0.351909892	0.643761479	1.476792545	0.233949688	0.965393318	3.798901293	0.864385152	3.971598538
LPC(18:2)+H	361.4656039	657.0857142	204.5727644	639.6972973	844.5916256	355.3929267	1036.292521	449.4436817	1072.853361	967.37519	699.8125294	932.9395489	520.0699135	744.1044821	1205.277285	390.6644675	940.7615961	510.3291635	151.6930708	689.0825679	1346.031578	1029.844551	1128.882252
LPC(18:2e)+H	3.010827271	1.080870805	0.77845521	1.936280812	1.613433328	5.276657568	1.996010224	1.175112623	1.202746702	2.130465855	3.65943156	2.59190987	2.663941182	1.890228888	3.367866971	0.717337367	1.895772814	3.024781392	0.960921602	2.179666265	1.333196065	3.124916223	1.599809877
LPC(18:3e)+H	2.781793901	1.68213889	0.64855237	2.484955988	1.575467253	2.384421836	2.282280102	2.549367624	3.158031634	4.202581392	2.190966602	2.408904633	1.741480516	3.09812008	2.449468659	0.876752637	1.544727811	1.508787628	0.555700823	2.841260202	4.993014382	1.945154266	3.198491449
LPC(19:0)+H	12.54068275	8.796332823	5.804071314	4.937278737	7.330775218	3.37456938	8.549771488	7.24793654	10.46687071	9.146539649	6.449717081	6.200209704	5.422280941	9.905372744	7.63990661	1.225368455	5.071124993	12.95979493	1.446716427	8.775789178	8.850449109	6.773858468	11.44012638
LPC(20:1)+H	1.490714203	1.366218532	0.540096753	1.154248707	1.793367559	4.218260112	2.179299794	1.53785712	3.142492463	2.633398548	1.78891945	1.820484789	1.443719224	1.863025707	1.825118866	0.48567386	1.01335323	3.747435975	0.289401652	1.491918417	3.506325666	1.364807065	2.709927552
LPC(20:2)+H	2.184175452	2.01914915	0.960438265	2.051242962	3.041188181	1.882434106	2.87791052	2.243673149	3.940812508	3.775121681	1.943152598	2.709871322	2.337182835	3.172452569	3.371310588	0.942716082	2.349156103	3.844652498	0.596416745	2.193894687	4.928306063	4.163868173	6.082508475
LPC(20:3)+H	39.43222677	30.05988321	13.34329289	53.63096376	53.79899231	21.40937419	32.32776477	37.40339404	71.93621454	45.16512146	29.84704921	48.71848088	35.99249847	74.66101106	39.02185513	18.05055617	34.36353917	37.27168117	22.55993342	34.46963605	78.05004261	31.58918124	58.53040719
LPC(20:4)+H	1076.095572	450.5620024	475.1426683	1046.82994	1077.514698	535.1412189	785.3217608	828.1697522	1232.618922	916.439824	1390.580088	1068.48469	938.2366043	1177.078762	1460.808681	494.2012349	666.37986	780.4075582	571.2905064	1222.78957	2866.353417	1090.662436	1421.2587
LPC(20:5)+H	51.03405444	7.816858727	7.877968623	32.63469858	15.09588885	10.86560769	37.08952399	13.02413917	41.74546371	17.950119	25.64461893	23.0803514	23.97368812	32.66486972	19.44083048	9.427091133	11.94250316	29.20000118	16.99005915	167.4024811	71.05600946	21.63680498	35.76936367
LPC(22:4)+H	12.62202998	10.01478426	7.271302786	15.09016377	19.36662955	6.424263095	13.74957785	14.9463088	24.77040951	18.6048981	23.5729223	20.19433058	13.906823	16.05483752	19.92435353	5.694706834	12.03651323	9.3536556	3.972741871	10.89129879	26.05059625	11.0486146	20.40360232
LPC(22:5)+H	122.7408859	57.14414789	43.93195117	157.7852449	125.8531092	54.34635736	120.3772434	94.99670141	227.7634233	94.16062518	137.6643319	158.0453206	112.2234691	136.3771647	139.0816376	44.26664403	68.18597043	104.0705532	43.76016402	218.8366507	197.6815052	83.89277877	116.8962989
LPC(22:6)+H	191.5068285	31.19289474	25.1622803	101.7633684	56.060598	71.05976054	79.11515438	63.81992585	118.5529714	144.12935	191.5346369	68.45358453	87.31296528	73.04366619	146.7059949	41.64640943	48.16501027	218.0102325	46.98827425	332.3950237	484.0105378	132.2456804	198.4444046
PC(14:0_20:4)+HCOO	41.54415732	1245.368766	209.3778983	97.19317227	1247.483492	1114.402753	233.8036922	110.0792685	45.75225228	584.1968027	74.57509921	412.4894497	451.3247781	635.9984535	458.9870368	384.9564822	388.5284829	33.66630749	1540.313041	359.1727747	41.3519699	205.7885416	15.33659011
PC(15:0_16:0)+HCOO	8.448141704	355.9163585	19.01301068	24.61225533	335.9266097	173.3053621	45.01593996	33.33186026	29.12499624	145.3914538	4.579157605	100.0796761	107.9765346	75.63589335	94.18470097	63.58620712	194.1973396	11.61589954	208.0241965	65.65948882	39.03076539	40.12629658	9.378212562
PC(15:0_18:1)+HCOO	50.24626947	1914.097158	308.3748067	120.2053586	1383.390468	1730.211781	199.3345589	171.4628445	68.17208259	1119.258193	75.21893451	518.2301247	854.5055091	458.1634624	493.2814628	369.6389338	666.0773499	38.57282859	1454.626832	447.4561872	64.81840573	230.5685624	14.40247466
PC(15:0_18:2)+HCOO	11.39161794	1220.233738	162.56517	77.86683396	1133.789796	631.3233101	166.331534	64.52162932	41.15799545	436.8376686	67.11928578	384.6526993	408.9270409	177.112377	445.3628379	253.9155309	894.0036256	24.71309322	770.3905287	218.2587143	27.91788262	220.5612391	11.13004932
PC(15:0_20:4)+HCOO	8.683213923	408.9754752	92.56547701	39.99112532	549.0967281	397.8744012	67.23256308	43.74174653	17.27956142	153.7631092	30.20353251	145.3663439	182.0029107	131.7864239	171.7612114	97.50505789	185.2043271	17.29307073	629.708014	115.1142739	17.42638329	63.8956814	4.491265228
PC(16:0_14:0)+HCOO	110.6883933	3985.491335	788.5306997	278.7324387	4506.496147	2880.249208	528.3011119	363.2538329	123.8058695	2296.197546	268.4753045	1082.247684	2472.012033	1988.419026	1453.118486	902.2697437	1561.652424	130.4886641	3931.812262	1142.779452	168.5273569	943.3669488	52.76715525
PC(16:0_16:0)+HCOO	504.8480941	6947.455983	2458.88028	609.6802506	11000.21646	3861.883135	1160.063445	1059.591139	361.8681133	4745.688085	1261.892525	2374.329659	4663.211004	3321.726686	4215.045787	1282.03247	6471.399809	492.1770129	5341.154281	2544.753162	889.6903742	2759.874135	245.4522561
PC(16:0_16:1)+HCOO	337.4307534	7435.360365	1607.193672	366.5693488	6707.322884	5657.073641	880.6055686	781.7108056	221.8547741	6620.570449	379.9007581	2161.846524	4544.165992	3274.228245	2507.849898	2047.619206	3472.957084	123.6456277	6225.464286	1727.951135	273.2614887	1700.382576	72.16882039
PC(16:0_17:0)+HCOO	4.420146895	89.54876449	30.6379493	13.32076145	137.9755133	75.64644707	14.30476591	15.5422953	8.049908223	55.61865746	14.82748576	44.87148878	83.3247615	35.09552465	49.46417888	9.506242458	62.33354648	11.27876965	63.57416873	33.27819045	12.80549358	28.12085777	3.5606995
PC(16:0_18:1)+HCOO	2991.351666	79127.52312	14942.68362	3782.558434	50909.72781	51670.98643	8016.551986	6439.076588	2222.180185	40078.93047	4755.784571	20308.72771	26994.99253	21339.52546	21796.31474	17431.3221	40141.98816	1249.425184	42139.11261	17325.2026	2990.829271	16168.95063	551.2020685
PC(16:0_18:2)+HCOO	1702.628056	85543.64201	12529.92914	3724.48791	76620.37208	32716.59843	11086.41183	5184.218296	2644.081028	32692.86221	6162.252698	25273.75354	24018.46369	17944.28123	30354.56573	22913.56264	58557.38304	1490.194269	39510.07159	16116.05568	2681.190883	24586.00462	781.4931124
PC(16:0_20:4)+HCOO	1154.440649	37393.4744	8694.866091	2032.823237	42197.3059	24324.25411	5035.41627	3617.105624	1376.692035	13130.48019	3112.777234	11136.15659	13978.1857	13877.40335	14687.74581	9933.012431	21235.49666	896.6193432	35664.16308	9056.862159	1624.59942	8585.779807	428.2361883
PC(16:0_20:5)+HCOO	175.0482382	2848.985533	533.8015693	192.56018	2945.68958	1690.448452	906.3584818	248.0400799	101.1279007	1260.418675	186.1607644	929.2570167	1458.014641	1421.776401	864.2703874	572.7491409	1334.622363	175.5908442	3526.400671	2760.589611	83.09156597	655.1834485	27.01699657
PC(16:0_22:4)+HCOO	23.44826434	960.4749627	217.1665041	42.67482505	1048.266559	451.428489	105.1451071	86.21916669	43.94513842	407.7458679	55.41425225	258.4031439	259.5065654	311.6877197	281.0668569	123.6052476	397.5783231	29.17804934	283.786253	94.9804441	34.59557283	111.8800925	17.38909562
PC(16:0_22:6)+HCOO	368.8062683	6566.13544	1185.285936	357.0607756	5664.643074	5634.860087	1160.961083	622.3813693	207.3138138	4426.038889	667.0247799	1549.628283	2929.585451	2190.639854	2928.653176	1286.968254	3519.425233	414.0852838	4894.390136	3409.840519	371.8230012	2132.768197	106.1089293
PC(16:0e_16:0)+HCOO	14.46054101	285.0261721	55.47884995	19.95174914	306.9933186	97.46314788	25.22267803	31.09083787	16.48949166	158.4524899	38.56243985	75.91900253	116.2591606	134.8840258	98.755156	21.91798424	154.1853016	14.95579873	61.26384369	47.40855146	18.09992147	59.20035644	10.39204945
PC(16:0e_20:4)+HCOO	94.17790615	2129.396534	405.9652121	123.0842646	2091.677415	1648.846363	306.9762604	141.2623016	88.04471446	1211.509915	330.4820065	1001.17521	1236.325911	751.0516149	974.048238	381.6586957	2713.921599	54.08083434	946.356731	439.5321664	90.89891621	622.6370875	32.03821364
PC(16:1_20:4)+HCOO	43.89534481	609.6617017	137.0311673	35.3911119	697.8170736	481.4095951	93.87033841	87.82804664	22.28310547	576.7099393	26.76068519	202.9096168	387.9091998	364.5174141	269.8806742	154.8199851	289.7232275	17.40054729	457.7029089	166.6588159	19.33668137	120.5837945	10.20997395
PC(16:1e_18:1)+HCOO	115.9479617	2161.455363	942.0990275	135.3512096	1756.783761	4021.222546	147.7667138	131.1130057	4.399240016	1427.874596	262.6581466	974.0736565	2495.329967	679.2777016	774.8548665	368.2002147	3264.78741	40.6496408	3105.799036	341.2448423	2.875293102	636.0918725	0.294677969
PC(16:1e_18:2)+HCOO	109.2643519	8908.217474	2079.81861	348.1434816	7938.938231	6026.142103	814.0748872	297.2106591	14.00021096	3757.400474	587.6410641	3234.064178	4703.770744	2017.616524	3347.77745	1357.646639	12461.95863	105.5463063	5748.2162	1059.463735	3.529421975	2593.040018	0.703340949
PC(16:1e_20:4)+HCOO	12.57445299	135.4086963	24.48875444	9.168481349	124.607316	221.7024607	28.80190764	9.242083481	2.379050865	127.9698252	21.51109031	65.89233756	52.27526222	34.02347354	84.8422383	68.62127998	233.9123547	6.718060035	114.762401	110.5741151	5.172852627	80.84908889	0.784489117
PC(16:1e_22:6)+HCOO	81.13802172	848.1593919	475.137629	85.49227808	1001.308198	2798.486974	106.7660404	91.82176796	1.026466579	779.1109002	267.3712903	397.5150185	1155.561073	343.1518566	678.5273758	272.6199859	1181.649222	41.81300885	2822.069761	700.0243308	0.992234971	522.7600485	0.104188975
PC(17:0_18:1)+HCOO	85.93674122	2382.53626	515.9785568	148.9401032	1569.141363	2309.359347	238.4382257	216.7368086	118.835546	1300.441206	115.5206084	787.7023165	1128.43792	541.2141225	593.3031349	336.6921093	806.3920747	69.60474593	1087.54172	570.3674728	86.49724202	377.5030572	22.99647057
PC(17:0_18:2)+HCOO	44.2421502	2878.505777	436.4334639	156.8715095	2594.324855	1660.129872	389.3263137	172.2834132	167.6792051	1304.177473	157.5343291	1099.348091	1069.325801	444.7873916	936.8810929	470.2154802	1606.544965	82.97633112	1092.38256	572.8564328	82.06159519	596.2198807	41.12491552
PC(17:0_20:4)+HCOO	12.29171979	575.6631912	133.2072527	35.16817252	618.9341831	482.314762	74.40021474	54.32436897	37.06472801	193.1835106	30.65361134	215.3473206	184.2942899	149.2891437	173.9814826	110.9374847	232.3620341	20.0827058	426.5863818	146.0386465	27.39169843	78.67742776	6.247031745
PC(18:0_16:0)+HCOO	73.64841649	601.163522	203.9816832	102.1330225	890.8425569	391.2908614	102.4000984	102.871081	86.13735287	363.5150528	141.2330953	258.7185403	460.1788534	337.0743249	274.2492994	84.45677221	414.4017792	94.58595718	242.2903106	209.0048531	95.54471923	236.2385219	48.5211498
PC(18:0_18:1)+HCOO	421.4117647	6401.298262	1988.054361	436.3470081	4458.855215	5047.881103	631.0381262	556.4169527	469.2435455	3116.094806	439.2623348	1873.965676	2832.398527	2149.342469	1590.395698	833.3760175	2531.876522	328.209571	1582.543785	1481.725253	365.3737048	1367.208489	113.2935579
PC(18:0_20:3)+HCOO	37.25238308	1154.768044	230.7118413	52.76500419	939.9073557	525.6295245	105.6553179	102.2460648	44.89344415	407.3136272	45.08166522	258.8831987	332.3597047	376.9163118	218.9519281	143.5270545	686.1077651	41.12163666	326.9835382	136.6725797	44.04623684	150.2455687	10.21036627
PC(18:0_20:4)+HCOO	158.7570718	4805.637038	1765.763892	332.8778332	6562.54003	4245.02741	727.874354	493.4073445	241.8147804	1974.086802	547.542725	1848.252572	1915.092718	1900.944446	1914.175109	1453.916688	2936.653251	148.9015714	3679.63673	1088.745704	339.7758133	992.2670368	52.42210768
PC(18:0_22:4)+HCOO	6.657760079	161.1074145	67.78474687	8.576689367	163.3996506	82.36192986	18.15582528	14.95725184	15.04835655	60.27936822	12.13160574	43.18008746	52.05297072	47.52986342	42.80161171	19.456666	68.62770782	7.64908406	26.83701883	16.18791788	8.99496662	21.3235769	3.622510306
PC(18:0_22:5)+HCOO	14.11371913	491.0790161	169.8350155	24.20062793	568.3713341	316.0691558	77.6395838	41.19951168	23.20609137	149.943204	29.23869028	166.4069763	199.8923843	148.1166857	141.9609832	120.7452129	221.7888072	12.14405214	250.1446919	119.5552299	20.21644062	69.50718591	3.379621358
PC(18:0e_20:4)+HCOO	17.01988304	289.5070662	77.68404389	26.09007214	310.8152832	253.2909711	31.1768595	22.19891894	28.19546552	122.6927266	56.50454812	114.9374968	107.2415656	123.996151	98.63913859	34.85881448	154.7935007	16.06089624	82.70284745	77.61273124	19.97447618	86.8781409	8.42424414
PC(18:1_18:2)+HCOO	243.5615757	9722.462452	1380.559077	360.7117617	8410.541568	4928.374096	1475.474054	658.3975121	270.093476	6073.136597	557.8946851	2829.010132	4559.896007	2030.751769	3822.55328	3361.121935	9702.163522	148.7701203	2478.343366	1828.745717	411.2966315	2479.460216	112.0216739
PC(18:1_20:4)+HCOO	36.73241895	1116.165635	231.3599175	47.56139201	1099.832984	526.9799165	189.3726964	90.75409176	41.95542528	479.5610252	59.08309971	344.4334871	425.2342111	499.3885776	367.6610175	252.3862397	406.9158472	21.79974415	588.922175	373.1297043	43.06601831	141.4476893	10.92317207
PC(18:1_22:5)+HCOO	16.2796952	404.0571053	104.6332372	18.28142146	440.6705469	274.9044861	65.06276009	40.91799998	14.60924487	163.1785176	20.30960028	113.0661252	214.1804226	139.1395382	140.4703972	124.3969348	229.2108751	8.486574746	254.9208639	102.024676	14.942032	58.53601892	2.733362601
PC(18:1_22:6)+HCOO	49.97424293	651.7296856	120.5616197	23.09621352	433.1676704	898.3121799	104.6098613	53.99385656	14.57978507	696.4821643	55.28362467	124.5506569	385.640115	205.5075348	232.8902999	158.7265388	379.854217	28.7054533	303.4736313	286.7778548	43.81021792	162.7878595	5.664577025
PC(18:1e_16:0)+HCOO	41.32200492	875.2043237	211.9238013	35.14562584	804.5455205	623.4979208	77.28618072	74.62413149	39.68143409	459.6838307	90.24826884	216.2896199	304.0949375	357.8464786	205.4333017	79.59602217	378.2676133	28.12039111	328.2233087	128.3090302	38.1658251	140.4363085	16.7826484
PC(18:1e_18:2)+HCOO	30.97130636	284.7126741	118.1074238	12.71564716	211.0194792	602.2557494	25.76115752	17.23466171	0.84422071	195.4765739	36.03880465	130.2380896	428.6935144	92.41340574	113.0739866	48.39460347	464.4670095	6.876857401	289.5981765	47.55385941	0.87078787	122.878433	0.027498683
PC(18:1e_20:4)+HCOO	62.70562025	1046.272615	278.1641789	70.63082395	1491.101557	809.0500212	149.4440367	134.4963778	76.19667404	550.9188513	223.5166119	415.2466494	509.7876213	428.0788745	399.6313169	201.6875019	608.1332776	43.40438077	557.1542074	309.0625291	81.30019175	286.9386216	38.52918343
PC(18:2e_20:4)+HCOO	235.8954371	2830.621691	1721.660256	234.0362085	4411.868893	5927.12952	386.1735556	286.9269047	11.52746138	1451.126683	678.332831	1768.298451	4206.833644	1306.026027	2060.434302	805.9234196	4004.881387	107.5472764	6287.730153	992.2211581	7.882367449	1691.735674	0.816785552
PC(18:2e_22:5)+HCOO	17.02085933	181.9597527	117.8058129	14.41065918	272.0195492	404.1396159	32.09994069	17.0367721	1.439222048	87.84486153	35.03814746	132.5079397	317.5660363	71.57626855	116.8647769	52.66670667	268.0204661	7.708886247	375.0261857	77.81671021	1.084091709	97.83649422	0.773675739
PC(18:2e_22:6)+HCOO	32.17729605	103.9479016	83.06463312	13.04229682	135.392029	648.5154646	21.02694455	14.56306318	0	167.8016104	60.12545906	68.54785465	322.4636178	50.55848647	118.8659626	58.81281488	218.4152508	10.4259462	528.5499155	121.8230408	0.143280158	128.0652621	0.00701646
PC(19:0_18:1)+HCOO	50.97736259	1231.618773	217.40083	68.61528217	817.7008179	941.1570836	162.0462338	54.85236637	15.75323535	681.1566694	137.7947951	505.717923	546.146854	304.5728836	536.2441199	190.4433584	992.7513436	32.6622701	212.806158	220.3468679	12.28310282	455.6189362	7.843291995
PC(19:0_18:2)+HCOO	29.38000489	1117.600071	162.9300653	80.0643023	1189.708611	616.925476	119.0943859	82.64245181	15.11634015	531.4592433	73.2293248	424.4677652	432.8837998	460.5141968	369.6906294	170.9866473	682.0315281	29.45822443	394.3376265	201.815036	7.152549163	253.1471641	4.959430622
PC(19:0_22:5)+HCOO	8.95833323	144.78739	36.96661225	10.72111708	138.0722211	147.8229739	29.45327132	14.85521365	3.92784363	71.56865176	21.38323087	82.34182134	104.5314716	44.9518536	74.58149677	40.50181491	99.6267002	6.136910595	74.49218568	88.01779403	2.293466375	61.14729092	1.262855739
PC(19:0_22:6)+HCOO	17.47526768	105.0300864	23.39391535	11.29431959	115.4709189	271.7678044	27.31472382	13.60757384	2.292275193	160.1261496	48.10102264	62.80315557	126.1976363	42.9932699	122.5037238	55.4148249	112.6729398	14.05766836	106.0647194	145.3544875	4.311664818	116.1394069	0.812455203
PC(20:1_18:2)+HCOO	26.05835319	729.5402036	222.7514309	40.74889679	870.4763766	570.8023808	127.0247895	71.81164414	33.84046559	338.7727123	72.51136068	270.3794739	275.5153722	221.806571	280.0307201	173.3764444	546.7633375	26.48051165	376.6850026	135.6404866	46.15038971	178.3693511	9.131461521
SM(d20:1_16:0)+H	131.2819651	87.03262217	62.73822402	186.052409	83.35067318	42.29668445	82.68131687	126.2708516	193.7938278	116.510979	114.8348417	89.23838565	206.093872	153.1884501	119.1734899	5.364133992	76.57955344	180.8703903	17.19589463	85.27157578	153.9417202	148.5283343	197.9109456
SM(d32:1)+H	7.987597418	4.257151178	3.11901635	8.467170779	7.34880793	4.279039392	6.761922171	6.259121124	5.47751755	6.692736727	4.726912559	6.042734663	8.854942503	9.227120465	9.263195491	2.051518731	4.586694591	22.39116938	4.639814212	5.911922493	6.325973167	5.337100671	6.073326865
SM(d32:4)+H	12.18711303	10.50760792	7.893586372	8.442407924	10.62339891	7.7338497	7.817636524	11.91886901	8.541007308	9.250169157	10.79524791	9.285033528	9.583303885	8.677440688	9.082336287	10.2970674	14.52445087	4.516897289	10.37003071	8.783113348	13.94709311	9.863494103	7.459968286
SM(d34:0)+H	17.11893739	10.96259785	12.96610477	15.38547984	19.02458113	7.627991574	11.98176856	40.68148198	23.36431301	22.34042929	23.44616904	14.16586336	19.32179275	23.780986	17.60196076	0.660083347	14.61935321	17.93062975	3.30396063	9.68300181	22.65882452	15.08295307	29.59003142
SM(d34:1)+H	204.3128276	164.6204629	153.2998217	207.6848287	266.6165642	101.5146968	192.1521373	250.608527	229.1575074	216.0217503	238.2148719	215.0049821	248.3689184	299.0838914	266.2290886	17.95513091	203.1693839	205.4173817	62.72727088	142.5881718	234.4655578	219.2017539	229.8565554
SM(d34:2)+H	7.345402563	6.998786595	5.925506648	8.969555143	12.28818616	4.87958196	7.868799406	10.41368288	8.091333214	9.539125277	9.779135737	8.825541654	11.28895128	9.975847476	12.88596817	2.067474082	6.391094022	23.55352276	4.4680808	7.456150259	8.480304385	8.611518584	10.0631111
SM(d35:1)+H	7.289768512	6.611110467	5.625710296	14.42701758	8.415662465	8.548582862	8.71273993	10.07389963	15.09556646	8.00393448	7.977496109	9.779026328	17.5233095	8.435140965	10.63464642	0.639918177	6.672911137	19.65012197	2.474642153	7.471162258	10.2610053	7.60690083	10.10691565
SM(d36:2)+H	36.20814673	26.54011062	24.13744237	50.2508511	27.26079666	28.00948479	27.34187204	42.12702092	36.51801975	32.95338846	32.40554623	29.96491392	60.4141099	38.29477925	45.10336761	2.79660125	23.86803013	32.40714697	8.734300551	33.52816806	32.77752476	37.51022285	38.73228046
SM(d37:1)+H	1.353520989	0.99338408	0.67057641	2.946949334	0.911525903	2.294222504	1.485169917	1.71161102	6.691825714	1.094225284	1.248322672	1.431961909	1.40082219	1.229703868	1.509903876	0.137837663	0.654888475	14.8735491	0.438850412	0.997659644	3.818473627	1.222105603	4.56759763
SM(d37:2)+H	0.999172164	1.485493249	1.881407535	2.316691621	1.957872476	1.60786341	1.254624004	0.865880901	0.993557061	1.345639584	2.150943798	2.210214781	4.161235531	1.379251055	2.43172774	0.105034657	4.318207848	2.460808426	0.503130664	0.759178933	0.481196524	2.631698895	0.878969646
SM(d38:1)+H	23.68141833	8.980821944	8.745066288	23.80691882	6.577170353	3.838860816	9.772903231	17.04157342	53.82152336	9.595722827	16.07850467	7.768888646	11.45330951	15.93646632	13.71344506	1.151908754	7.94595451	134.1124084	1.593007824	6.875571958	36.95307401	12.0628967	50.95977732
SM(d38:2)+H	11.66560764	8.84139027	11.14582819	17.45217288	5.440023891	6.041686639	6.800393141	10.77360173	26.82878244	7.573938946	12.74325808	7.454228918	8.361707277	11.01035712	13.00990128	0.635210105	8.457133463	28.76593429	1.36474453	8.088115212	18.40206206	8.834136347	20.89949567
SM(d39:1)+H	2.377728567	0.874849589	0.910166546	3.314239617	0.730248034	0.56548355	1.280365416	1.419579485	5.819117039	0.837917177	1.315330635	0.769365844	1.278737852	1.1782723	1.848271087	0.240266218	0.908401039	32.96297238	0.308835554	0.788948707	6.834670746	1.187108598	3.97377675
SM(d40:1)+H	41.70816536	6.931997868	7.1982335	27.11294702	7.011582388	2.981409526	10.21755151	26.46896354	78.79042744	6.213067604	17.04380123	4.997929371	6.627920058	12.23947047	14.93212167	1.712905118	6.261081334	270.022772	1.714816883	4.932715082	72.61958962	13.49858294	99.73972128
SM(d40:2)+H	20.76576668	8.498464775	11.23862075	14.81322369	7.102235401	4.497220097	6.988153762	10.79890177	31.92873641	7.212750061	9.415177122	5.508473947	10.46786001	10.75993148	15.25617344	1.244293802	7.023300046	151.7404616	1.547848698	6.409681118	30.16524336	10.23554308	40.26112213
SM(d41:1)+H	6.098211107	1.33132847	1.39835676	8.667007369	1.491970491	0.886626278	2.260385793	4.458546737	14.37514271	1.403361223	3.183173986	0.902845354	1.812665579	2.516901056	2.259741449	0.484581502	1.120194253	110.1586082	0.572435324	1.227097626	16.49322442	3.150820977	11.74608659
SM(d41:2)+H	5.697902611	2.630428896	3.518989473	6.673493613	2.555018272	1.690411535	2.279368212	2.951638972	12.14309898	2.420035263	2.829723739	1.921617329	4.941681384	3.338654247	3.434626851	0.483409188	2.01596535	75.55878136	0.765815283	2.486724407	12.02478417	3.594909654	8.166954889
SM(d42:1)+H	17.77989442	1.714105308	1.828941858	8.369038179	2.015772784	0.874916415	3.304555921	8.953185708	23.08767124	1.676937543	5.556534772	1.145486226	1.768401956	4.181110059	3.753226399	0.706916981	1.466057184	114.7589398	0.604101745	1.7034142	30.64155884	4.742050568	25.35256558
SM(d42:2)+H	78.85592164	21.04381107	29.4783606	37.61737034	23.60220297	10.82794996	18.42541035	30.08303208	175.598037	22.63511227	30.66574421	16.37802759	34.49647578	39.50776842	18.67392868	2.186194145	17.00928381	600.421188	3.491865036	16.17692068	113.1502165	47.03423756	160.2958663
SM(d42:3)+H	26.9327467	10.67459393	19.61078013	15.81668772	12.78955662	5.691983443	8.947897422	20.05601008	46.8368382	13.08484451	13.14264877	7.998137896	19.45918661	17.07162922	13.87883249	1.032085257	10.29376163	195.8514604	1.965208901	9.554871789	29.19060708	21.47681098	74.19856874
SM(d42:4)+H	3.792426966	2.030496125	3.748923407	4.061048717	2.874318878	1.066700551	1.843088272	4.797217204	8.89560146	2.851025763	2.346294936	1.696068544	4.030780549	3.242160072	3.239814966	0.139025543	2.315475759	12.72954306	0.259401478	1.693687734	4.303849508	4.38557592	12.50344244
SM(d43:2)+H	1.183566565	0.429938215	0.589278292	1.334071858	0.521031934	0.504350272	0.535369666	0.533141777	3.954205897	0.494584626	0.676964013	0.472080196	0.934774131	0.780462641	0.504434557	0.090259043	0.283120626	16.94994733	0.120740126	0.521542772	3.67969634	0.849040933	2.525360585
SM(d43:4)+H	1.753293647	0.339159687	0.368069275	2.252911425	0.39329409	0.210934069	0.557102939	1.20985015	3.811086087	0.388146528	0.814767921	0.238122759	0.509961711	0.682951801	0.591848059	0.107687206	0.314879331	12.16688418	0.144506047	0.326279021	4.770690772	0.839107584	3.448428653
SM(d43:5)+H	1.349670724	0.56576865	0.745779287	1.464943938	0.57526158	0.350802817	0.481252987	0.726314726	2.559186562	0.546877464	0.616074021	0.412041255	1.136833751	0.771032002	0.763006365	0.094350258	0.493606985	12.24776492	0.168663649	0.554892193	3.236787647	0.785230129	1.848634333
SM(d44:4)+H	5.001901348	0.452948656	0.475958407	2.173746226	0.504031057	0.198819401	0.819671126	2.459648262	5.780996262	0.431758198	1.418889517	0.281004879	0.450855747	1.079838459	0.943892693	0.174350229	0.39728039	14.21854776	0.139459088	0.438239691	8.929898986	1.195620831	6.739355227
SM(d44:5)+H	28.04161026	4.78742647	6.684474351	9.39050044	5.580566133	2.337685247	4.190517552	7.781939219	44.08385631	5.531752054	7.257300811	3.774956597	8.282606358	9.662398802	5.31157856	0.625273617	4.330724482	21.33200107	0.83549184	3.900191317	36.50432344	11.13232015	26.33194639
SM(d44:6)+H	7.513090726	2.21989919	4.246455403	3.878456264	2.735658579	1.19849552	1.866340108	5.091701734	11.03929725	2.792083821	2.976952484	1.742014204	4.328211788	3.818946135	3.052962307	0.214329017	2.47377638	7.062509722	0.419165054	2.068528464	8.545560331	4.703627885	12.05239988
SM(t42:1)+H	1.312078415	0.445651983	0.676129921	0.780543882	0.457770539	0.312961763	0.406384949	0.511499086	2.832794818	0.479307787	0.513419889	0.385288373	0.78479624	0.854079853	0.56822467	0.047142117	0.33001921	7.536696124	0.088318517	0.342117581	1.895758484	0.92105811	1.994857679
TG(15:0_14:0_16:0)+NH4	58.74556772	59.03330723	49.04156243	43.85751644	56.64100831	48.24278559	56.03441232	45.08960037	55.53644149	53.20409789	55.24297785	48.31820006	54.06803587	46.25594768	59.63352693	56.98401781	56.76209274	41.9676641	66.43777859	48.94155298	68.59770542	54.44728458	45.53885856
TG(15:0_14:0_16:1)+NH4	26.50791727	25.25615589	20.21691788	20.32038778	22.94789049	21.76440244	25.10463882	18.98918425	24.1520172	21.96176277	24.15669595	22.38680853	22.37476882	19.54923652	25.98039129	24.12401772	24.43557459	16.94189465	28.62825088	19.17708148	31.80667776	21.14714601	18.1370987
TG(15:0_16:0_16:0)+NH4	60.6807988	59.04036212	49.27289291	43.9943315	54.68084426	48.18757309	58.93388619	45.3183337	55.66956631	52.10448641	55.30535759	49.66602981	53.94962153	45.89599834	58.10214804	57.50723657	59.32413891	66.5412075	69.34985666	47.81398663	66.2669126	53.7345961	44.63653999
TG(15:0_16:0_16:1)+NH4	79.75467084	68.80762532	59.71173114	52.81026768	70.19995047	56.75090686	66.7340764	55.7421222	65.13432465	58.4151644	70.38242076	62.3519162	62.51795448	51.75217728	66.32014233	67.68671811	66.66409693	58.32812725	79.09015094	58.46704812	84.7227956	64.84335183	53.55911288
TG(15:0_16:1_16:1)+NH4	36.36073945	32.4000495	26.76468527	25.56805972	30.67420352	29.38417044	31.47084234	25.47236474	30.01934122	28.02772933	30.27400647	27.66781275	29.76579519	24.17959546	30.66335589	33.19250962	32.48824529	22.9955677	38.35235168	26.28982115	38.04941101	28.36708913	23.30561512
TG(15:0_16:1_18:1)+NH4	106.6608338	106.2196515	88.39989606	79.36081682	102.4920045	86.38610583	101.9521915	82.19066149	101.7164317	96.63282849	98.56134036	87.43600827	98.68993544	83.53735141	108.5063559	101.7804923	101.3336747	87.14136853	118.4444745	88.53731469	123.909384	98.82321894	84.59770757
TG(16:0_14:0_14:0)+NH4	32.03542603	31.34680476	26.10242434	22.8263826	29.9635874	25.2572112	29.63657155	24.86597282	29.55375007	28.0129793	28.74339326	25.4524204	28.4990109	24.32126366	31.55595392	30.27593753	30.0413471	23.79736314	35.006952	25.86286474	36.85799565	28.8690668	24.26541912
TG(16:0_14:0_16:0)+NH4	57.18252475	55.18279506	46.38816896	42.1915522	52.27542791	44.07918494	53.39150402	41.73786404	52.72664688	48.59123759	52.57320545	46.16406672	51.49945181	43.68784135	55.68441897	52.69200234	52.42039664	48.63608172	61.87580627	46.62566181	64.14167857	52.66031697	44.95735158
TG(16:0_14:0_16:1)+NH4	96.86945536	93.18409175	78.85416186	70.38930055	88.465958	76.01239852	90.43125398	72.8994829	91.67223879	83.41785845	88.51964398	77.82429847	86.850304	75.37220889	94.22053763	91.71463429	91.37702512	87.30730759	102.1042055	76.89899503	110.351003	86.12752921	75.12298156
TG(16:0_16:0_16:0)+NH4	93.50627357	114.2877459	94.25350156	58.56776118	81.15989356	97.6925024	101.4335358	62.58945219	76.57113396	74.12153803	98.42694846	83.23031359	93.38289116	90.22772413	112.8009593	112.7399611	116.0225572	93.50932606	84.02446475	88.56453048	119.0577473	92.19842882	95.54735421
TG(16:0_16:0_16:1)+NH4	105.0065508	108.2476733	85.61044803	79.23324683	95.58939464	84.57845822	97.38439161	82.6460871	111.2676312	95.2492886	99.73832334	83.20395267	101.3707658	88.25685844	102.7188491	96.58376651	102.3084441	176.9647063	125.3164119	83.87893646	127.5440811	103.902751	102.647373
TG(16:0_16:0_17:0)+NH4	53.10215197	51.47264483	46.478486	29.73418682	48.33461144	36.79089184	40.92266215	33.77547256	55.50309396	47.98751839	50.27989638	34.33909288	39.81432491	43.4628916	42.61246837	34.51045954	53.58067519	42.1379841	53.96461405	35.0896777	60.51666517	37.39691359	46.21123055
TG(16:0_16:0_18:1)+NH4	105.4287966	94.71151416	81.26098312	93.15986184	112.2352823	95.789812	86.15509865	95.35020778	136.2173648	78.43758274	113.0006803	89.98672297	102.3224423	86.50000401	91.44467321	85.67639415	83.89877621	375.8787875	97.86600068	92.05693881	124.5957497	113.4122455	133.0681631
TG(16:0_16:1_17:0)+NH4	84.26055468	94.12646454	64.99565124	59.46557781	74.28418362	66.91731396	77.0622278	61.15990412	75.39898121	71.34965127	78.13052137	66.67133456	71.10357566	59.83746206	80.56900928	81.36390177	76.279451	82.21222824	93.17582328	64.22799253	99.72068957	71.26073701	66.17519532
TG(16:0_16:1_18:1)+NH4	116.6825959	98.57753266	92.63656951	83.00914621	89.80968325	76.98464696	102.092843	81.36399613	129.6720787	92.96247549	96.87540264	85.97643706	105.3146768	93.97366291	101.8298879	89.53773606	89.49441931	340.2272644	106.4852951	85.67491337	130.9972522	102.1115108	138.5824078
TG(16:0_16:1_24:0)+NH4	19.32216371	15.96318019	13.72183901	13.13852786	15.31310709	13.33527188	15.62638884	11.3754852	15.7526948	14.36319533	14.31363992	13.26037284	14.63205887	12.17339258	16.46425646	15.49917939	15.77624821	10.98065826	17.13175833	12.90441851	20.97395937	14.39150651	12.40649061
TG(16:0_17:0_18:1)+NH4	48.90427352	47.17448719	40.94930473	28.57204349	34.1788252	28.91331142	45.82645891	34.93506897	38.8092193	44.19727495	31.16746578	31.24472728	43.20986661	37.42480222	43.06426491	45.98219031	34.26383397	54.13331489	50.59429661	30.62528196	53.32951948	44.56486373	30.95985611
TG(16:0_17:1_18:1)+NH4	51.95166263	51.10199435	42.14917987	37.82151783	46.46872255	38.83771893	45.88997923	38.0812566	51.38102264	46.24977566	44.09461606	40.33970954	47.71851412	40.70210956	50.50615633	45.73020749	46.57058744	78.89739589	54.89200936	41.44610232	56.53696942	45.0812976	65.94870212
TG(16:0_18:1_18:1)+NH4	135.4340923	69.79051018	73.46583611	71.75921532	89.00128224	74.41136134	94.42812937	60.94320209	154.8192678	82.66328817	98.96530393	77.64868113	177.5654068	97.49557354	75.89639594	71.88722345	68.34014632	780.7213888	78.04843262	72.04388034	119.6174147	84.48462085	145.0188637
TG(16:0_18:1_20:4)+NH4	17.56844766	12.56962734	11.64170716	11.91589244	11.89835732	9.8933096	12.55562543	10.01309871	23.09438959	11.09695628	13.05648324	10.31030442	14.14471403	11.46925523	13.41365717	12.04003919	12.68558187	165.0406619	13.37437638	10.3606842	19.26317727	13.98433622	41.1959209
TG(16:0_18:2_18:2)+NH4	12.10976909	7.829067746	16.96115692	8.189440594	15.93098582	6.515360335	8.763611253	7.669686409	27.04708092	6.354494708	16.66085561	6.61814578	11.11701889	9.190097226	9.011169844	17.94552543	7.9653717	129.8925164	7.594183886	6.615359778	25.84835432	10.93484139	54.57935375
TG(16:1_14:0_14:0)+NH4	14.82170532	13.95735115	11.09223499	10.37847789	12.79247604	7.352626311	12.93989917	11.09968436	14.36753547	12.48950925	12.31394733	11.24310859	12.25095602	7.664943597	13.48060795	13.02723028	12.97472212	17.91965188	14.55871913	11.46557144	16.4547535	11.82363856	11.93302933
TG(16:1_14:0_16:1)+NH4	25.01386073	20.62024946	17.8433387	17.0311262	19.44291284	17.74776743	20.83548878	17.09527914	21.21119957	12.78173067	21.16903186	17.61095858	18.77474019	17.34252154	23.12017902	22.51269462	20.29051734	12.84029149	24.41796251	17.9387161	28.66407102	17.94402194	18.21095641
TG(16:1_14:0_18:1)+NH4	78.67711769	70.47243205	62.60959029	53.21162097	67.52012117	56.13235929	70.38614671	57.08313548	71.63848205	64.6335077	66.30607853	59.22632748	65.76185979	58.69316014	70.05521322	67.85181909	70.19022985	101.4287276	75.0830561	56.79689325	86.48156332	65.7331737	69.21080075
TG(16:1_16:1_16:1)+NH4	19.66582107	17.29242379	14.94235728	13.16777785	16.06413866	14.0412343	16.85350189	13.62736216	18.63462516	15.35329703	16.30770628	14.30505976	16.00515092	13.87135768	17.35714072	16.66217802	16.69656524	29.57263815	18.79262926	14.0694416	21.67863933	15.89968472	18.79781645
TG(16:1_16:1_17:1)+NH4	17.47994584	17.91007935	14.29698311	12.63600366	16.72263771	13.63849477	15.59566056	13.42141675	16.36085257	15.35393382	15.78776386	13.69617784	16.14542733	13.2056123	17.58049025	18.52421692	16.33807103	15.33937786	18.48706416	14.35582214	20.26202382	16.19019648	14.35599523
TG(16:1_16:1_18:1)+NH4	46.42143889	35.8030304	35.04432024	33.84875432	36.48967766	30.09289468	36.46694492	30.72965281	44.38997487	35.70724855	35.26625631	30.74770636	39.41449639	32.11471836	41.49481966	34.33016361	36.77171622	97.24477121	40.51667625	31.77602718	49.15723928	34.8698272	50.334688
TG(16:1_17:1_18:1)+NH4	27.22872631	29.11162868	20.24803462	19.96289526	25.27906384	20.07228275	25.06208783	19.5901678	25.54583006	23.04638026	24.8163107	24.71947257	23.02229517	19.66749769	25.17449652	23.47268569	24.48188975	35.07093971	33.14812254	21.53282904	33.81913388	23.46110104	22.60333486
TG(16:1_18:1_18:1)+NH4	69.28293706	49.64890533	48.58897259	46.81723224	45.77545007	40.75765065	51.32830796	40.25342755	83.82399067	42.82112867	46.67582335	39.84719764	66.78970094	53.24970378	52.1656388	55.51961135	55.15615277	480.2618763	54.8420778	38.48896999	74.17946606	57.18088334	147.0793411
TG(17:0_18:1_18:1)+NH4	25.32593762	19.36288645	16.31796091	14.76387979	24.54062987	19.40364423	28.61398141	13.75442789	21.65605219	17.44382241	22.67710817	16.13985913	19.63766924	20.97795657	15.41268813	19.87375687	17.19280594	43.60613655	23.09011219	23.41227432	26.97101803	23.84161879	27.66864853
TG(18:0_16:0_16:0)+NH4	50.21404058	44.19059897	44.8251868	25.55197703	44.22404144	29.39773165	46.23103874	39.24778784	48.75543333	43.26501526	38.71053566	41.09676365	49.1336108	41.04575926	48.203358	43.02705188	51.08562646	40.40474409	54.11166854	42.36674033	53.55155246	46.33992856	41.38013859
TG(18:0_16:0_18:0)+NH4	21.45362051	23.70671162	18.93834447	16.1185189	21.79853285	17.8130363	21.16907846	18.07213686	21.77711845	20.99768754	20.04247947	18.15562945	21.41611355	18.71239654	23.24228742	21.94682464	21.56211924	14.99750347	23.82745874	19.3135564	24.39307171	21.99397027	17.99262668
TG(18:0_16:0_18:1)+NH4	43.00731942	44.87970842	29.93067238	36.0357196	45.39575742	27.90205379	70.4184654	38.65865059	55.90371531	66.18816753	45.35956933	37.4547732	45.14679882	49.5534392	48.2447212	37.40367091	42.87335379	125.7895816	34.9116611	27.71807272	53.21438149	42.20463884	44.49593679
TG(18:0_18:0_18:0)+NH4	16.9102068	15.27082994	13.43516936	12.14561922	15.75993458	13.32678857	15.29478055	11.23534149	16.1950342	14.47026915	15.40381485	12.56594686	14.2759619	13.0002523	17.3387071	15.80044403	15.41633954	11.06362071	17.50744722	14.12102767	18.35419447	14.64518097	13.66765081
TG(18:0_18:0_18:1)+NH4	18.96411628	15.23827315	13.13870091	13.76177312	13.0249376	15.77071667	19.17035928	14.35855572	20.3682327	17.45192061	19.05724892	12.56499686	17.57858399	15.5094017	16.34669199	19.35156417	17.29938974	22.04391629	18.29205435	16.23610955	21.85935781	16.19078028	13.95725659
TG(18:0_18:1_18:1)+NH4	36.13599778	26.68903023	21.17639321	28.08659344	28.40158988	25.0058107	26.32123978	24.30644612	50.54354768	19.53019635	28.07470693	26.08852958	43.74487948	31.03397401	36.19247131	29.93309101	31.30479396	170.2809797	28.62296278	56.82411355	38.80558866	26.25246283	37.46970793
TG(18:1_17:1_18:1)+NH4	21.50380201	16.97666996	16.16300362	11.9859505	14.39566714	12.15550889	14.9210553	11.84911518	23.75857967	18.29581522	20.79163881	17.715125	21.09570205	18.21152244	19.83006812	18.41254145	18.50397403	39.55685249	25.24672547	12.41974631	17.56970813	21.11141832	21.31051012
TG(18:1_18:1_18:1)+NH4	100.8577656	46.58636098	47.91029129	49.23120145	42.89623037	39.56303929	59.93694557	36.11652423	94.43788314	42.09859139	52.89208587	39.27271176	67.31890282	54.48659286	48.82149383	51.54201743	55.65170895	589.4067337	59.2677296	37.78770749	99.22015924	44.39136326	89.77398534
TG(18:1_18:1_18:2)+NH4	68.33227203	41.31847357	43.21848092	45.06786687	39.60972476	33.05392757	40.44114573	32.53368857	103.4004602	38.21999784	47.10468021	35.22348932	58.76755036	45.53424905	47.29485174	40.202012	41.85685949	962.4224952	43.11520641	35.23693977	73.79924828	48.11018514	164.4521386
TG(18:1_18:2_18:2)+NH4	11.23629372	9.585290725	7.767155536	7.835431528	8.54363573	6.144829742	8.654368313	7.217432227	15.38913633	9.459582183	8.982373391	9.039670332	9.394285244	7.463384308	9.53262305	8.474131016	9.195302899	123.4942785	9.013408984	6.863137513	12.83615526	10.2893162	32.48410109
TG(20:0_18:1_18:1)+NH4	12.36144752	12.65618533	9.354993366	8.327028015	10.63109657	9.504365937	9.535591024	9.250570309	10.71033772	8.374306192	8.919670757	8.273206495	11.69643488	7.475862836	11.79524964	14.41112105	10.37946457	13.08925603	13.12160578	9.704812319	13.25353104	8.484656132	9.685528622
TG(25:0_14:0_16:0)+NH4	15.43514602	12.10116404	11.23986431	10.83993435	14.09832794	7.21645482	10.93435179	9.370373526	11.94659573	10.56520244	10.9172267	8.94537992	11.30044082	10.49944662	14.12341248	12.35037588	11.30566294	9.10045026	14.30540659	11.22304535	13.80108728	12.64940893	10.61532384
TG(25:0_15:0_16:0)+NH4	13.94828947	12.40500248	12.03978575	11.83557516	11.28823834	10.74771564	12.03093244	9.712675837	11.32048944	12.01413464	12.55156299	10.73489226	11.03673894	9.518392494	12.25268121	12.38180939	12.02831569	8.216359208	14.83999074	10.29152836	18.47414316	10.85525108	8.456605025
TG(25:0_16:0_16:1)+NH4	13.0843907	11.64200806	9.772334279	8.844108153	11.08671872	9.492775964	10.87338383	8.244197831	11.20849954	10.37639846	10.52319478	9.821252342	10.65065293	9.018686882	11.54020092	11.80325689	10.87085291	8.074599035	13.50677657	9.391778204	15.39338123	10.97867676	9.55067688
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
AcCa(10:0)+H
AcCa(10:1)+H
AcCa(12:0)+H
AcCa(12:1)+H
AcCa(13:0)+H
AcCa(14:0)+H
AcCa(14:2)+H
AcCa(16:0)+H
AcCa(16:1)+H
AcCa(17:0)+H
AcCa(18:0)+H
AcCa(18:1)+H
AcCa(18:2)+H
AcCa(18:3)+H
AcCa(19:0)+H
AcCa(19:1)+H
AcCa(20:0)+H
AcCa(20:1)+H
AcCa(20:2)+H
AcCa(20:4)+H
AcCa(21:0)+H
AcCa(21:1)+H
AcCa(22:1)+H
AcCa(22:2)+H
AcCa(22:4)+H
AcCa(6:0)+H
AcCa(8:0)+H
AcCa(9:0)+H
Cer(d18:1_12:0)+HCOO
Cer(d18:1_16:0)+HCOO
Cer(d18:1_18:0)+HCOO
Cer(d18:1_22:0)+HCOO
Cer(d18:1_23:0)+HCOO
Cer(d18:1_24:0)+HCOO
Cer(d18:1_24:1)+HCOO
Cer(d18:2_18:0)+HCOO
Cer(d18:2_22:0)+HCOO
Cer(d18:2_23:0)+HCOO
Cer(d18:2_24:1)+HCOO
DG(16:0_16:0)+NH4
DG(16:0_18:1)+NH4
DG(16:0_20:4)+NH4
DG(16:1_18:1)+NH4
DG(18:0_16:0)+NH4
DG(18:0_18:0)+NH4
DG(18:0_18:1)+NH4
DG(18:0_18:2)+NH4
DG(18:0_20:3)+NH4
DG(18:0_22:5)+NH4
DG(18:1_14:0)+NH4
DG(18:1_18:2)+NH4
DG(18:1_20:4)+NH4
DG(18:2_18:2)+NH4
Hex1Cer(d18:0_20:4)+HCOO
Hex1Cer(d18:1_20:4)+HCOO
Hex1Cer(d18:1_22:4)+HCOO
Hex1Cer(d18:1_24:0)+H
Hex1Cer(d18:1_24:1)+H
Hex1Cer(d19:0_20:4)+HCOO
Hex1Cer(d20:0_22:6)+HCOO
Hex1Cer(d41:1)+HCOO
Hex1Cer(d42:1)+HCOO
Hex1Cer(t18:0_22:0)+H-H2O
Hex1Cer(t18:0_23:0)+H-H2O
Hex1Cer(t20:0_20:4)+HCOO
Hex1Cer(t20:1_20:4)+HCOO
LPC(14:0)+H
LPC(15:0)+H
LPC(16:0)+H
LPC(16:0e)+H
LPC(16:1)+H
LPC(16:1e)+H
LPC(16:2e)+H
LPC(17:1)+H
LPC(18:0)+H
LPC(18:1)+H
LPC(18:1e)+H
LPC(18:2)+H
LPC(18:2e)+H
LPC(18:3e)+H
LPC(19:0)+H
LPC(20:1)+H
LPC(20:2)+H
LPC(20:3)+H
LPC(20:4)+H
LPC(20:5)+H
LPC(22:4)+H
LPC(22:5)+H
LPC(22:6)+H
PC(14:0_20:4)+HCOO
PC(15:0_16:0)+HCOO
PC(15:0_18:1)+HCOO
PC(15:0_18:2)+HCOO
PC(15:0_20:4)+HCOO
PC(16:0_14:0)+HCOO
PC(16:0_16:0)+HCOO
PC(16:0_16:1)+HCOO
PC(16:0_17:0)+HCOO
PC(16:0_18:1)+HCOO
PC(16:0_18:2)+HCOO
PC(16:0_20:4)+HCOO
PC(16:0_20:5)+HCOO
PC(16:0_22:4)+HCOO
PC(16:0_22:6)+HCOO
PC(16:0e_16:0)+HCOO
PC(16:0e_20:4)+HCOO
PC(16:1_20:4)+HCOO
PC(16:1e_18:1)+HCOO
PC(16:1e_18:2)+HCOO
PC(16:1e_20:4)+HCOO
PC(16:1e_22:6)+HCOO
PC(17:0_18:1)+HCOO
PC(17:0_18:2)+HCOO
PC(17:0_20:4)+HCOO
PC(18:0_16:0)+HCOO
PC(18:0_18:1)+HCOO
PC(18:0_20:3)+HCOO
PC(18:0_20:4)+HCOO
PC(18:0_22:4)+HCOO
PC(18:0_22:5)+HCOO
PC(18:0e_20:4)+HCOO
PC(18:1_18:2)+HCOO
PC(18:1_20:4)+HCOO
PC(18:1_22:5)+HCOO
PC(18:1_22:6)+HCOO
PC(18:1e_16:0)+HCOO
PC(18:1e_18:2)+HCOO
PC(18:1e_20:4)+HCOO
PC(18:2e_20:4)+HCOO
PC(18:2e_22:5)+HCOO
PC(18:2e_22:6)+HCOO
PC(19:0_18:1)+HCOO
PC(19:0_18:2)+HCOO
PC(19:0_22:5)+HCOO
PC(19:0_22:6)+HCOO
PC(20:1_18:2)+HCOO
SM(d20:1_16:0)+H
SM(d32:1)+H
SM(d32:4)+H
SM(d34:0)+H
SM(d34:1)+H
SM(d34:2)+H
SM(d35:1)+H
SM(d36:2)+H
SM(d37:1)+H
SM(d37:2)+H
SM(d38:1)+H
SM(d38:2)+H
SM(d39:1)+H
SM(d40:1)+H
SM(d40:2)+H
SM(d41:1)+H
SM(d41:2)+H
SM(d42:1)+H
SM(d42:2)+H
SM(d42:3)+H
SM(d42:4)+H
SM(d43:2)+H
SM(d43:4)+H
SM(d43:5)+H
SM(d44:4)+H
SM(d44:5)+H
SM(d44:6)+H
SM(t42:1)+H
TG(15:0_14:0_16:0)+NH4
TG(15:0_14:0_16:1)+NH4
TG(15:0_16:0_16:0)+NH4
TG(15:0_16:0_16:1)+NH4
TG(15:0_16:1_16:1)+NH4
TG(15:0_16:1_18:1)+NH4
TG(16:0_14:0_14:0)+NH4
TG(16:0_14:0_16:0)+NH4
TG(16:0_14:0_16:1)+NH4
TG(16:0_16:0_16:0)+NH4
TG(16:0_16:0_16:1)+NH4
TG(16:0_16:0_17:0)+NH4
TG(16:0_16:0_18:1)+NH4
TG(16:0_16:1_17:0)+NH4
TG(16:0_16:1_18:1)+NH4
TG(16:0_16:1_24:0)+NH4
TG(16:0_17:0_18:1)+NH4
TG(16:0_17:1_18:1)+NH4
TG(16:0_18:1_18:1)+NH4
TG(16:0_18:1_20:4)+NH4
TG(16:0_18:2_18:2)+NH4
TG(16:1_14:0_14:0)+NH4
TG(16:1_14:0_16:1)+NH4
TG(16:1_14:0_18:1)+NH4
TG(16:1_16:1_16:1)+NH4
TG(16:1_16:1_17:1)+NH4
TG(16:1_16:1_18:1)+NH4
TG(16:1_17:1_18:1)+NH4
TG(16:1_18:1_18:1)+NH4
TG(17:0_18:1_18:1)+NH4
TG(18:0_16:0_16:0)+NH4
TG(18:0_16:0_18:0)+NH4
TG(18:0_16:0_18:1)+NH4
TG(18:0_18:0_18:0)+NH4
TG(18:0_18:0_18:1)+NH4
TG(18:0_18:1_18:1)+NH4
TG(18:1_17:1_18:1)+NH4
TG(18:1_18:1_18:1)+NH4
TG(18:1_18:1_18:2)+NH4
TG(18:1_18:2_18:2)+NH4
TG(20:0_18:1_18:1)+NH4
TG(25:0_14:0_16:0)+NH4
TG(25:0_15:0_16:0)+NH4
TG(25:0_16:0_16:1)+NH4
METABOLITES_END
#END