#METABOLOMICS WORKBENCH cascam07_20170513_091721 DATATRACK_ID:904 STUDY_ID:ST000608 ANALYSIS_ID:AN000930 PROJECT_ID:PR000445
VERSION             	1
CREATED_ON             	May 26, 2017, 11:40 am
#PROJECT
PR:PROJECT_TITLE                 	Comparing identified and statistically significant lipids and polar metabolites
PR:PROJECT_TITLE                 	in 15-year old serum and dried blood spot samples for longitudinal studies
PR:PROJECT_SUMMARY               	The use of dried blood spots (DBS) has many advantages over traditional plasma
PR:PROJECT_SUMMARY               	and serum samples such as the smaller blood volume required, storage at room
PR:PROJECT_SUMMARY               	temperature, and ability to sample in remote locations. However, understanding
PR:PROJECT_SUMMARY               	the robustness of different analytes in DBS samples is essential, especially in
PR:PROJECT_SUMMARY               	older samples collected for longitudinal studies. Here we analyzed the stability
PR:PROJECT_SUMMARY               	of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored
PR:PROJECT_SUMMARY               	at room temperature. The identified and statistically significant molecules were
PR:PROJECT_SUMMARY               	then compared to matched serum samples stored at –80°C to determine if the
PR:PROJECT_SUMMARY               	DBS samples could be effectively used in a longitudinal study following
PR:PROJECT_SUMMARY               	metabolic disease. A total of 400 polar metabolites and lipids were identified
PR:PROJECT_SUMMARY               	in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS),
PR:PROJECT_SUMMARY               	liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS).
PR:PROJECT_SUMMARY               	The identified polar metabolites overlapped well between the sample types,
PR:PROJECT_SUMMARY               	though only one statistically significant metabolite was conserved in a
PR:PROJECT_SUMMARY               	case-control study of older diabetic males with low amounts of high-density
PR:PROJECT_SUMMARY               	lipoproteins and high body mass indices, triacylglycerides and glucose levels
PR:PROJECT_SUMMARY               	when compared to non-diabetic patients with normal levels, indicating that
PR:PROJECT_SUMMARY               	degradation in the DBS samples affects polar metabolite quantitation.
PR:PROJECT_SUMMARY               	Differences in the lipid identifications indicated that some oxidation occurs in
PR:PROJECT_SUMMARY               	the DBS samples. However, 36 statistically significant lipids correlated in both
PR:PROJECT_SUMMARY               	sample types. The difference in the number of statistically significant polar
PR:PROJECT_SUMMARY               	metabolites and lipids indicated that the lipids did not degrade to as great of
PR:PROJECT_SUMMARY               	a degree as the polar metabolites in the DBS samples and lipid quantitation was
PR:PROJECT_SUMMARY               	still possible.
PR:INSTITUTE                     	Pacific Northwest National Laboratory
PR:LAST_NAME                     	Casey
PR:FIRST_NAME                    	Cameron
PR:ADDRESS                       	902 Battelle Boulevard, Richland, WA, 99354, USA
PR:EMAIL                         	cameron.casey@pnnl.gov
PR:PHONE                         	509-371-6612
PR:FUNDING_SOURCE                	Portions of this research were supported by grants from the National Institute
PR:FUNDING_SOURCE                	of Environmental Health Sciences of the NIH (R01 ES022190), NIH Eunice Kennedy
PR:FUNDING_SOURCE                	Shriver National Institute of Child Health and Human Development (R21 HD084788),
PR:FUNDING_SOURCE                	National Institute of General Medical Sciences (P41 GM103493), and the
PR:FUNDING_SOURCE                	Laboratory Directed Research and Development Program at Pacific Northwest
PR:FUNDING_SOURCE                	National Laboratory. This research utilized capabilities developed by the
PR:FUNDING_SOURCE                	Pan-omics program (funded by the U.S. Department of Energy Office of Biological
PR:FUNDING_SOURCE                	and Environmental Research Genome Sciences Program) and by the National
PR:FUNDING_SOURCE                	Institute of Allergy and Infectious Diseases under grant U19 AI106772. The
PR:FUNDING_SOURCE                	Osteoporotic Fractures in Men (MrOS) Study in the US was supported by the
PR:FUNDING_SOURCE                	National Institute on Aging (NIA), the National Institute of Arthritis and
PR:FUNDING_SOURCE                	Musculoskeletal and Skin Diseases (NIAMS), the National Center for Advancing
PR:FUNDING_SOURCE                	Translational Sciences (NCATS), and NIH Roadmap for Medical Research under the
PR:FUNDING_SOURCE                	following grant numbers: U01 AG027810, U01 AG042124, U01 AG042139, U01 AG042140,
PR:FUNDING_SOURCE                	U01 AG042143, U01 AG042145, U01 AG042168, U01 AR066160, and UL1 TR000128. This
PR:FUNDING_SOURCE                	work was performed in the W. R. Wiley Environmental Molecular Sciences
PR:FUNDING_SOURCE                	Laboratory (EMSL), a DOE national scientific user facility at the Pacific
PR:FUNDING_SOURCE                	Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE
PR:FUNDING_SOURCE                	under contract DE-AC05-76RL0 1830.
PR:PUBLICATIONS                  	Comparing identified and statistically significant lipids and polar metabolites
PR:PUBLICATIONS                  	in 15-year old serum and dried blood spot samples for longitudinal studies
PR:DOI                           	10.1002/rcm.7808
#STUDY
ST:STUDY_TITLE                   	Comparing identified and statistically significant lipids and polar metabolites
ST:STUDY_TITLE                   	in 15-year old serum and dried blood spot samples for longitudinal studies
ST:STUDY_SUMMARY                 	The use of dried blood spots (DBS) has many advantages over traditional plasma
ST:STUDY_SUMMARY                 	and serum samples such as the smaller blood volume required, storage at room
ST:STUDY_SUMMARY                 	temperature, and ability to sample in remote locations. However, understanding
ST:STUDY_SUMMARY                 	the robustness of different analytes in DBS samples is essential, especially in
ST:STUDY_SUMMARY                 	older samples collected for longitudinal studies. Here we analyzed the stability
ST:STUDY_SUMMARY                 	of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored
ST:STUDY_SUMMARY                 	at room temperature. The identified and statistically significant molecules were
ST:STUDY_SUMMARY                 	then compared to matched serum samples stored at –80°C to determine if the
ST:STUDY_SUMMARY                 	DBS samples could be effectively used in a longitudinal study following
ST:STUDY_SUMMARY                 	metabolic disease. A total of 400 polar metabolites and lipids were identified
ST:STUDY_SUMMARY                 	in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS),
ST:STUDY_SUMMARY                 	liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS).
ST:STUDY_SUMMARY                 	The identified polar metabolites overlapped well between the sample types,
ST:STUDY_SUMMARY                 	though only one statistically significant metabolite was conserved in a
ST:STUDY_SUMMARY                 	case-control study of older diabetic males with low amounts of high-density
ST:STUDY_SUMMARY                 	lipoproteins and high body mass indices, triacylglycerides and glucose levels
ST:STUDY_SUMMARY                 	when compared to non-diabetic patients with normal levels, indicating that
ST:STUDY_SUMMARY                 	degradation in the DBS samples affects polar metabolite quantitation.
ST:STUDY_SUMMARY                 	Differences in the lipid identifications indicated that some oxidation occurs in
ST:STUDY_SUMMARY                 	the DBS samples. However, 36 statistically significant lipids correlated in both
ST:STUDY_SUMMARY                 	sample types. The difference in the number of statistically significant polar
ST:STUDY_SUMMARY                 	metabolites and lipids indicated that the lipids did not degrade to as great of
ST:STUDY_SUMMARY                 	a degree as the polar metabolites in the DBS samples and lipid quantitation was
ST:STUDY_SUMMARY                 	still possible.
ST:INSTITUTE                     	Pacific Northwest National Laboratory
ST:LAST_NAME                     	Casey
ST:FIRST_NAME                    	Cameron
ST:ADDRESS                       	902 Battelle Boulevard, Richland, WA, 99354, USA
ST:EMAIL                         	cameron.casey@pnnl.gov
ST:PHONE                         	509-371-6612
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUblotter_PO6573_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUblotter_PO6573_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUblotter_PO6573_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_3	Sample_Type:serum | Factor:control	Replicate=3
#COLLECTION
CO:COLLECTION_SUMMARY            	Matched DBS and serum samples were simultaneously collected in 2000–2001 from
CO:COLLECTION_SUMMARY            	10 overnight fasted male participants having an average age of 75.5 ± 6.15
CO:COLLECTION_SUMMARY            	years. The institutional review boards at the participating institutions
CO:COLLECTION_SUMMARY            	approved the protocol and the study participants provided informed consent. Case
CO:COLLECTION_SUMMARY            	participants included 5 diabetic men with high BMIs, TGs and glucose levels, and
CO:COLLECTION_SUMMARY            	low amounts of HDL. The 5 control participants had normal metabolic profiles
CO:COLLECTION_SUMMARY            	(normal BMIs, TGs, HDL and glucose levels).
CO:STORAGE_CONDITIONS            	The DBS were stored at room temperature in the dark until analysis, while the
CO:STORAGE_CONDITIONS            	serum was stored at –80°C.
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples collected in 2000–2001 were stored until June 2015.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For the serum samples, 10 mL of whole blood was drawn and centrifuged so the
SP:SAMPLEPREP_SUMMARY            	serum could be extracted. For the DBS samples, 500 μL of blood was collected
SP:SAMPLEPREP_SUMMARY            	and 125 μL was blotted in four areas on a Whatman FTA Classic Card. Polar
SP:SAMPLEPREP_SUMMARY            	metabolites and lipid extracts were derived from the same sample type (DBS or
SP:SAMPLEPREP_SUMMARY            	serum) using a modified Folch extraction in June 2015 and analyzed with MS
SP:SAMPLEPREP_SUMMARY            	shortly after. The DBS punch from each patient was transferred into to a 2.0 mL
SP:SAMPLEPREP_SUMMARY            	tube where 50 μL of water and then 1200 μL of –20°C 2:1 chloroform/methanol
SP:SAMPLEPREP_SUMMARY            	were added. Each sample was vortexed for 30 s then transferred into a shaker at
SP:SAMPLEPREP_SUMMARY            	22°C for 60 min at 600 rpm. The samples were vortexed again for 30 s and then
SP:SAMPLEPREP_SUMMARY            	250 μL of water was added to induce a phase separation. The sample was gently
SP:SAMPLEPREP_SUMMARY            	inverted several times, placed at room temperature for 5 min and then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 10,000 g for 5 min at 4°C and put on ice to maintain the clear
SP:SAMPLEPREP_SUMMARY            	phase separation. Finally, 400 μL of the top polar layer was removed, dried in
SP:SAMPLEPREP_SUMMARY            	a Speedvac, and stored at –80°C for analysis of polar metabolites, while 700
SP:SAMPLEPREP_SUMMARY            	μL of the bottom nonpolar layer was removed, dried in a Speedvac, and stored at
SP:SAMPLEPREP_SUMMARY            	–20°C in 250 μL of 2:1 chloroform/methanol for lipid analyses. Serum lipids
SP:SAMPLEPREP_SUMMARY            	were extracted using a similar procedure except 25 μL of serum was used and
SP:SAMPLEPREP_SUMMARY            	then 600 μL of –20°C 2:1 chloroform/methanol was added. After vortexing and
SP:SAMPLEPREP_SUMMARY            	shaking, 125 μL of water was added to induce a phase separation and 200 μL of
SP:SAMPLEPREP_SUMMARY            	the top polar layer and 350 μL of the bottom nonpolar lipid layer were removed
SP:SAMPLEPREP_SUMMARY            	and stored as outlined above. Prior to analysis, the total lipid extracts were
SP:SAMPLEPREP_SUMMARY            	dried down and then reconstituted in 70 μL and 100 μL of MeOH for the DBS and
SP:SAMPLEPREP_SUMMARY            	serum samples, respectively. To generate pooled case and control samples for
SP:SAMPLEPREP_SUMMARY            	LC/MS/MS and LC/IMS-MS analyses, 5 μL aliquots from each reconstituted DBS and
SP:SAMPLEPREP_SUMMARY            	serum sample were removed and combined.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters NanoAcquity
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (150 x 1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Velos Pro Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak
MS_METABOLITE_DATA_START
Samples	OHSUblotter_PO6573_1	OHSUblotter_PO6573_2	OHSUblotter_PO6573_3	OHSUblotter_PO6716_1	OHSUblotter_PO6716_2	OHSUblotter_PO6716_3	OHSUblotter_PO6764_1	OHSUblotter_PO6764_2	OHSUblotter_PO6764_3	OHSUblotter_PO6882_1	OHSUblotter_PO6882_2	OHSUblotter_PO6882_3	OHSUblotter_PO6927_1	OHSUblotter_PO6927_2	OHSUblotter_PO6927_3	OHSUblotter_PO6935_1	OHSUblotter_PO6935_2	OHSUblotter_PO6935_3	OHSUblotter_PO6976_1	OHSUblotter_PO6976_2	OHSUblotter_PO6976_3	OHSUblotter_PO7117_1	OHSUblotter_PO7117_2	OHSUblotter_PO7117_3	OHSUblotter_PO7324_1	OHSUblotter_PO7324_2	OHSUblotter_PO7324_3	OHSUblotter_PO7355_1	OHSUblotter_PO7355_2	OHSUblotter_PO7355_3	OHSUserum_PO6573_1	OHSUserum_PO6573_2	OHSUserum_PO6573_3	OHSUserum_PO6716_1	OHSUserum_PO6716_2	OHSUserum_PO6716_3	OHSUserum_PO6764_1	OHSUserum_PO6764_2	OHSUserum_PO6764_3	OHSUserum_PO6882_1	OHSUserum_PO6882_2	OHSUserum_PO6882_3	OHSUserum_PO6927_1	OHSUserum_PO6927_2	OHSUserum_PO6927_3	OHSUserum_PO6935_1	OHSUserum_PO6935_2	OHSUserum_PO6935_3	OHSUserum_PO6976_1	OHSUserum_PO6976_2	OHSUserum_PO6976_3	OHSUserum_PO7117_1	OHSUserum_PO7117_2	OHSUserum_PO7117_3	OHSUserum_PO7324_1	OHSUserum_PO7324_2	OHSUserum_PO7324_3	OHSUserum_PO7355_1	OHSUserum_PO7355_2	OHSUserum_PO7355_3
Factors	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control
Cer(d16:1/23:0)	21696.30469	17129.98438	4149.232422	31609.8418	34553.76563	32216.02539	32940.99609	25436.07422	24127.36914	10861.35156	10559.71484	10820.55176	15939.19824	13136.81641	9023.589844	30639.33984	18513.29883	16190.79785	42878.33594	23800.9375	24464.98047	20882.98828	18294.43555	20762.49609	25358.19531	27271.65234	29837.59375	15592.58691	12996.36816	12247.08496	27808.94531	30777.12109	29095.45313	77060.75	66242.48438	93742.85938	36147.625	57045.52344	70240.15625	14143.20215	14405.5166	15973.83008	15981.37305	15742.58203	19685.67578	26290.2832	35542.32422	33215.24219	39974.22266	43304.53516	49015.58984	19194.55469	28871.78906	35266.87109	11110.39258	14958.83008	22113.35352	16290.11719	21563.24219	20142.44336
Cer(d18:1/16:0)	461533.8438	481874.0625	101569.8438	302099.0313	234704.6406	330383.4375	376006.125	280547.1563	292543.1875	248313.4063	306986.8125	253258.7969	258024.8125	219821.8125	131271.9688	425229.6875	339967.7188	343771.8125	392490.5938	326274.5625	236403.5313	353312.2188	342216.8438	363757.9375	329428.2188	349411.625	173544.8281	317347.1875	248055.9375	206869.0938	103185.75	160136.8125	147951.9063	121298.3984	107606.4219	163530.9063	63279.35547	121652.9141	128897.0391	81682.42969	82287.14063	82405.64844	55679.02344	73773.67969	96605.46094	130003.3359	149884.4063	159440.25	74615.30469	94428.26563	83848.9375	92510.60938	127889.9297	153213.125	40697.50391	71316.89844	67661.71875	73389.08594	99858.00781	90249.11719
Cer(d18:1/18:0);Cer(d16:1/20:0)	66469.50781	77642.84375	22305.70508	55232.26563	101504.5859	111850.7813	88163.20313	69949.10156	34396.34766	42069.43359	41925.21094	34253.00781	51485.65234	58308.16797	35002.91016	103985.8828	80320.14844	76213.46875	86909.40625	62627.20313	46405.91797	132735.4688	116562.0625	108074.4844	73030.10156	85851.35938	105274.75	76614.19531	51066.63672	41082.13281	18206.98047	34468.46484	34306.10938	52806.89063	50663.31641	69851.84375	27256.08789	51075.03516	47957.51563	15490.82715	20729.84766	24681.50391	35037.74219	46525.89453	53021.22266	40727.72656	36599.79297	40747.07422	14665.30664	21976.15625	19800.18945	27118.02148	38812.09375	52919.13672	13583.60254	15342.33496	24671.19727	18471.33789	24240.32617	23639.13672
Cer(d18:1/20:0)	53606.09375	44411.60938	11947.16406	47732	51226.96094	54968.82031	52229.64844	40775.60156	43310.14453	25203.1582	24766.85352	24133.14648	32312.48438	37395.76953	23245.5332	60603.17578	30326.2793	41138.83203	56170.41406	50187.81641	43106.40625	53803.43359	57040.96875	56555.33984	48906.97656	50045.98438	45230.41016	41100.38281	23597.50781	23450.88281	26349.60547	33512.59375	30731.52344	62246.58984	55831.25391	88505.375	38495.89453	75826.21875	84365.375	16993.00781	14862.03516	16124.27832	23073.57031	23265.89844	23002.23633	32538.01758	37642.44531	34239.125	48624.13281	48684.77344	57700.60938	29417.33398	33802.44922	38101.00391	13415.07227	20718.45508	20420.60156	19883.14453	25820.84375	25294.78711
Cer(d18:1/22:0)	349831.4375	254900.6406	78424.83594	383848.0313	362007	388897.4063	443671.9688	365172.1563	310690.625	244252.375	175674.875	103508.5859	225633.5469	248304.7969	178914.2656	379231.4688	301283.9375	305556.9688	514762.625	553132.3125	540232.8125	390816.4063	382262.0938	361837.375	341435.4688	416860.0938	340029.0625	393924.5625	215148.9063	273481.9063	237793.9531	322502.1875	275555.1563	485144.5938	496203.6563	590547	317686.5938	519651.25	468197.0313	157779.875	163583.4844	215958.5313	216158.5781	259978.2813	242036.9219	243800.5313	338721.3125	338143.1563	359226.0938	389722.8125	330271.5625	322567.9063	351168.9063	444980.5625	129794.2266	178089.0938	190961.6719	277611.2813	310792.9063	274754.9688
Cer(d18:1/23:0)	129459.4063	145401.4688	39331.21484	286533.4063	254882.9375	286656.125	284673.8438	237093.0469	226399	141768.6563	103645.0156	92709.84375	158967.375	152943.9375	106904.5	279084.25	138077.7813	174982.8281	369327.2813	269058.1875	249434.7969	203509.2031	187566.1719	103200.0547	196569.9219	190687.7969	154094.9844	194849.8594	146901.875	153495.7344	322428.6563	393830.7188	353489.4688	611967.875	587963.875	647587.25	381682.0625	528349	530859.25	234365.8906	272389.6563	270942.3125	234035.0469	250507.5313	248116.75	415252.75	460297.25	470751	371777.4063	361617.0313	370457.875	295247.5938	392542.4063	496113.375	128990.6797	187910.9688	191981.5156	301834.8125	388951.1563	300519.7188
Cer(d18:1/24:0)	1139913.375	737932.4375	159509.2969	1088033.75	1231513.25	1189421	1485036.125	964396.5	862350.9375	658059.0625	433223.4688	451185.6875	846726	925959.8125	402440.1563	1215814.875	759133.3125	557073.4375	1309681.875	1945834.375	1570850.5	997176.3125	966141.5	912639.5	1261893.25	1093702.875	510964.5313	872526.0625	622797.6875	782590.8125	722312.1875	926534.4375	765020.625	1229947.75	992312.625	1324052.625	927321.875	1177522.625	1421248.375	716161.625	746641.9375	790640.25	572060.6875	536718.625	573355.4375	964092.625	1074326.875	1056297.375	996841.9375	1126262.375	1068649.125	833779.5625	968157.875	1258391.625	334605.4688	496398.9375	509630.5	769806.5	941237.4375	729830.1875
Cer(d18:1/24:1)	1614871	1591629.625	452232.4688	1226662.5	1129153.375	1099732.375	1330003.125	1183077.25	1007718.563	800126.75	782396.3125	288607.4375	780376.1875	785295.9375	582974.1875	1183693.875	1154895.25	1035138.25	1846837.125	1409529.125	1303823.25	1220875.125	917081.4375	1046017.438	1679121.125	1741375.875	1825295.875	933367.375	543609.8125	764269.1875	546030.1875	829843.1875	696127.1875	455612.2813	519199.9375	610756.4375	393951.0625	663367.25	570326.875	326151.375	355940.3438	350544.4688	329290.875	231877.1406	443657.9688	443506.75	585250.25	531877	390993.625	546442.875	520817.5625	274375.0625	422711.8438	526124.3125	225623.1094	291632.875	366752.4063	329972.25	504785	429432.8125
Cer(d18:1/26:0)	65323.18359	49550.41797	15692.55078	78018.60938	73267.54688	90373.57031	119585.7344	71783.11719	86698.73438	48326.01953	29486.90234	27233.10547	53546.95703	65274.23438	35673.25	77712.41406	48677.75781	60386.45703	129873.7578	149494.9375	104213.0313	75011.45313	68748.41406	73232.64844	81234.64063	69016.84375	75699.82813	62439.58203	48946.63281	51176.71875	24351.56055	22800.80469	19386.72852	34361.54297	34150.26953	40979.86328	23758.47266	27732.7793	26969.70508	18791.48438	14799.91309	17065.55664	13432.0957	13260.86426	10631.24414	25230.97266	31804.88867	33165.55859	17004.70117	30148.82031	26183.05859	26373.90625	27224.79688	37308.08984	9007.768555	10948.85352	13263.59961	24292.12305	26068.66602	20370.23633
Cer(d18:1/26:1)	60569.24609	61888.11328	15314.28613	42903.99609	52331.53906	51455.45313	70012.89844	42857.98828	39968.40234	30864.7793	24004.71289	22698.01758	48778.84766	40196.19531	22210.35742	55978.27734	29761.53711	35928.89453	65533.39453	49731.03906	55882.59375	51644.01563	37587.78125	41617.97656	61552.25	60236.84375	48410.89063	47735.32031	30082.58398	32238.3125	9189.414063	17952.02148	14096.62598	15679.35547	16046.25391	14641.17188	7384.217285	15679.84375	16869.46094	7656.118164	5788.329102	6728.773926	10207.63965	10614.68945	12568.73633	12816.72656	14947.30273	17273.97852	8688.764648	10134.81641	11615.70117	7354.707031	9604.405273	10050.43848	6166.121582	8237.681641	10990.33789	6683.109863	11269.99707	9393.194336
Cer(d18:2/16:0)	17330.16406	11136.8584	7224.84082	9128.541992	11239.44922	13131.73145	7590.564453	14539.4541	15245.11914	6299.118164	15399.70996	12023.72656	4661.799805	2789.850098	4460.170898	17348.88867	15371.06641	16178.83105	9449.955078	13042.9502	9422.665039	12531.23535	11591.39355	12208.45605	9686.295898	13941.09766	12486.6377	10495.98145	9042.105469	7086.415527	9921.594727	14610.4668	10760.33203	14124.94141	11298.64258	16771.93945	7818.925781	12329.16895	15601.39551	11096.3584	12518.26855	12758.79102	6381.226563	5950.231934	7449.66748	13024.49121	17379.39844	18771.65234	6235.04541	8344.875977	12211.80469	8903.597656	12535.2002	16725.07617	4863.792969	5328.209473	7504.043457	7456.103027	11641.78027	13438.91992
Cer(d18:2/22:0)	82055.71094	93904	25516.04688	73521.8125	80361.03125	73716.07813	82519.48438	70139.53906	57057.91016	48327.15625	51687.42969	43700.22656	36714.73828	33001.04297	25212.60742	99356.125	78265.95313	77076.89844	96037.60938	82216.875	69111.89063	69421.53125	79905.38281	85775.99219	96644.32813	114377.9141	93608.4375	101295.9375	71347.26563	61216.73438	46464	61152.62891	52559.22656	83460.14063	74502.82031	119828.6406	64275.48047	106486.0547	121919.3281	34668.71484	35553.94531	35835.44141	31956.69336	29439.73438	41237.07031	50698.78906	62402.35938	59338.75	70557.67969	74542.51563	94905.13281	54540.74219	72323.48438	83362.92188	17968.47461	26924.25781	28989.35156	42954.43359	69255.64844	57237.75
GalCer(d18:1/16:0)	37155.65625	39911.16016	17692.88867	18663.36328	18357.64648	24406.42383	19939.75977	20693.93555	17960.4668	26001.57227	27156.83984	32157.9668	26157.66406	19291.27734	17448.44336	49750.07031	35198.85156	42121.33594	19792.48633	18140.53125	13379.75195	25101.68164	35414.11719	39129.37109	16980.79492	24033.37891	37175.0625	43181.625	28592.81836	32217.05078	49544.18359	65270.85547	67110.09375	35436.89453	29391.16016	48490.40234	20757.38867	30723.23438	34618.28516	40866.76563	45982.00781	54746.39844	23429.7207	33440.50781	43513.14453	67237.14063	82414.99219	83211.95313	19983.09375	23204.9043	27495.59766	45928.37891	51756.125	54442.36328	27516.67969	39070.86328	45218.52344	43605.55078	57802.38281	59219.78125
GalCer(d18:1/22:0)	51660.69922	32500.76563	9285.907227	24542.84375	12972.4834	24052.8418	26152.98242	23496.38867	13417.92969	24949.94922	21376.36523	15608.87402	33878.25781	23907.78906	19227.48242	58463.92969	40079.73438	36197.52344	19944.1582	26564.21289	20198.02539	36102.58984	46690.625	32826.72656	17940.78906	30287.95313	37121.80078	48127.42969	35349.37891	38373.85938	95067.09375	117583.8594	137175.25	49346.49609	52525.16406	72709.85156	46635.17188	62889.01172	62922.41797	68196.54688	77469.00781	72469.47656	44766.42188	39385.07031	49758.74219	147677.9063	145658.7969	158519.2188	30436.27734	35837.33203	37414.48438	116668.8281	147793.1406	182484.1563	38470.30078	53869.51953	68372.02344	99386.58594	118101.1172	92923.92188
GalCer(d18:1/24:0)	40410.49609	29679.92383	11028.24121	21299.51367	27108.37891	18168.49805	29840.14258	20934.35742	15247.9209	27445.73047	21603.76172	18853.49805	26121.42578	29891.17773	15805.21289	74375.24219	25477.81055	31474.13672	23324.40234	41392.66797	21426.75977	38926.66797	39380.125	43587.60938	31265.03125	30888.43359	22201.16797	32612.42969	30084.49219	24231.86328	122106.5781	137106.9375	153613.0313	51341.3125	55366.93359	59588.52344	53090.01953	64290.61328	69231.08594	72949.35156	78799.92188	81420.45313	48048.78125	46251.84375	46141.41406	129761.2578	162420.5313	154399.9688	30953.37695	36852.02734	39717.01172	100620.1016	114155.8594	165490.7969	37732.53516	56931.59375	68773.94531	96517.11719	86429.08594	91212.53906
GalCer(d18:1/24:1)	34673.53125	39869.47266	19135.58984	15188.6123	8917.834961	11994.45313	10552.53125	14388.31934	12405.46387	18028.0293	18615.16797	14431.97168	18653.43164	15485.88281	10509.6748	31874.35938	33420.71875	32571.79297	10343.30957	10537.12305	8739.293945	24549.99805	24451.06641	16554.10938	7270.86084	20845.16602	19774.07227	23798.43555	25951.02148	16904.21289	104046.9688	142985.125	131759.1563	32313.19531	33793.08984	44310.10156	18148.08594	38045.05469	36361.26953	48097.13281	53555.81641	61026.09766	22583.86719	28129.74023	31118.73633	72220.89063	95327.57813	98950.67969	20060.8125	25999.61328	24435.96289	51675.75781	57715.37891	71088.26563	24069.93359	36676.96094	37127.41016	47861.14844	61674.01172	62727.52734
PE(16:0/0:0)	528144	705382.625	220310.0938	196639.6094	220459.5	201612.8594	217022.6875	217769.0313	187526.5469	312284.375	408614.2188	436305.5313	185399.4063	232124.5469	121529.8906	238268.5	203247.7344	201491.4688	648509.4375	622666.5625	567532.1875	300258.875	246992.3281	331712.75	422812.5	440955.8438	509206.625	509469.0625	304066.5938	315690.3125	58160.09766	97009.39063	102492.5078	65886.89844	64344.64844	80231.58594	45189.88672	89426.58594	111690.8125	69377.14063	76278.79688	80387.11719	28058.54688	28752.04102	43945.10938	58768.53516	66279.17969	67162.40625	39385.77734	70838.35938	68174.14063	60896.21875	93137.46875	94237.34375	31125.61914	43270.96484	60601.14453	62729.92188	88162.60938	96492.0625
PE(16:0/16:1)	26468.60742	30207.89063	6927.411621	18569.38867	20107.26563	17009.80469	12746.70215	13952.37012	11695.08398	11052.77832	20097.18945	15407.33496	25655.54492	24119.70313	9234.645508	16803.36133	4978.336914	6342.834473	35050.59375	19620.82617	12117.40625	7291.925293	11903.78809	9995.457031	22038.67188	31778.3457	29985.49219	19604.23828	10185.24121	11808.58887	11238.84277	8821.583984	10529.74316	23012.82227	19269.53516	23522.53516	12246.60645	15536.20117	19335.49414	7213.400879	7441.257813	9975.663086	12668.46777	13242.90918	19754.47266	6208.248535	7576.12793	8194.554688	21808.83984	25265.25195	24923.94141	8034.935059	5689.034668	8357.182617	11304.80566	16147.10742	21270.07617	5500.438477	5285.462402	7885.962891
PE(16:0/18:0)	71705.36719	103631.8125	12594.74609	128398.4609	110300.9375	45845.50391	115180.625	99254.78906	96075.35938	83874.29688	87928.99219	93513.26563	72635.46875	71167.75781	40601.66797	119377.8281	25779.55469	94528.5	250712.3125	190918.9688	164545.625	91506.35156	100177.125	122484.0938	107540.5234	114124.4844	137852.875	118550.1563	98542.27344	83612.22656	1740.422607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1845.609375	0	0	1726.814331	0	0	0	0	0	0	0	0
PE(16:0/18:1)	1863148	1827400.25	888711.9375	989503.6875	977980.8125	972922.8125	1107466.125	973150.125	1041156.313	1174905	1326190.25	1204883.625	1171718.625	1297937.625	681965.125	1052854.75	910781.875	636702.25	2350088.25	2068275.875	2019322.375	867375.375	945385.625	812554.1875	1183083.125	1686680.25	1643157.5	1494570.75	1125709.625	1167348.875	122178.1172	152989.4688	139204	147560.2031	147706.1875	167456.5156	105302.6172	151657.9531	159594.9375	40063.00391	48550.67578	53771.08203	111807.4141	124177.7578	172348.8281	48770.27344	56838.78516	59050.96094	246386.7344	303313.6875	300811.1563	38037.92578	49287.33203	52631.65625	93419.27344	129706.4375	182863.3125	65740.11719	84762.90625	80834.00781
PE(16:0/18:2)	362140.125	434403.5938	175597.9063	215408.75	229609.2969	224837.5156	374308.7188	381586.875	308830.7813	276224.0313	338006.75	312750.9063	296143.7188	298711.9375	183897.2344	241835.6875	197194.9375	177270.2656	447485.5313	295334	272040.75	161014.4688	223232.4219	208629.4063	422692.2813	404154.9688	429543.125	456927.9688	344284.875	265171.4063	304745.2813	428068.0625	390805.75	167999.4219	173477.4375	248535.8906	280413	503376.375	558203.1875	131357.375	140155.1094	144740.4844	167721.3125	188480.5156	259034.75	185896.25	225726.9531	234631.375	513361	667099.4375	736383.25	107385.7656	144358.6094	156287.7813	156654.1719	208595.5938	279832.625	220149.2344	302486.5313	314160.125
PE(16:0/18:3);PE(16:1/18:2)	218063.9688	381963.9063	57504.97656	85285.69531	74048.61719	39761.40625	152237.8281	135575.7188	108153.3516	163024.9531	183217.9844	187650.5	120194.0625	126169.2344	56459.05469	118500.8203	41719.15625	96322.70313	294381.5	218101.3594	138482.4219	84761.27344	97789.75	88281.66406	323436.6875	343283.2813	332422.4063	323165.75	217699.9375	199671.0781	124524.9063	134739.5	116571.4141	39409.86719	37471.93359	58340.32813	131683.2969	178565.1094	213070.0938	57014.74219	52754.80859	59201.76953	37496.54297	43266.65625	65287.88281	73106.15625	82658.47656	69337.07813	209595.5781	253657.5938	210110.5	49664.63281	58637.91406	59223.21484	54291.00781	78833.35938	103704.1641	104374.2109	135326.1406	133095.9375
PE(16:0/20:4)	934949.6875	917615.9375	391202.9688	707264.6875	687824.375	440096.9063	298716.5313	282279.0625	274251.1563	402443.9375	611351.25	421769.4688	444713.2188	500582.9688	299042.4688	375892.1563	378688.375	284144.3125	740366.0625	563984.0625	564367.6875	390940.9063	317745.7813	396077.375	665705.625	889170.875	768897.9375	713370.875	596313.8125	540055.0625	318796.5313	547322.5	520938.9063	403515.7188	399741.8438	547870	217609.6875	401926.5	489837.4063	163280.9219	178409.9844	197172	226412.0625	226607.1875	336095.2813	172011.6563	218065.3906	242448.5625	521018.0625	688817.9375	798263.1875	120749.6563	158410.4844	209151.0156	184509.25	316286.9063	375112.5625	232609.4531	278057.75	323487.5
PE(16:0/20:5)	1590004	1746702.875	175319.3906	276514.3125	256616.0938	87806.97656	291464.25	238878.2031	244282.2813	349060	478580.4063	518423.0938	127131.1406	161364.5938	74703.34375	419219.0625	71875.14063	366908.8125	661569.4375	521907.1563	391793.7813	104592.8359	175970.3125	236243.1719	470639.4688	539490.9375	561495.9375	342889.6563	232496.3906	196948.6719	447119.8125	545126	574033.1875	265053.4688	274685.8125	347210.0625	276748.0938	468099.8438	519983.625	124356.6563	130489.2656	132949.375	67499.22656	89729.77344	108532.4063	130086.0625	197674.2969	210580.7656	321033	488013.8125	424493.9688	61227.97266	94411.79688	85683.97656	72425.76563	163739.0469	216520.1094	131759	182113.5781	168093.5625
PE(16:0/22:4)	273269.9688	262229.75	138773.7344	246524	138468.1875	239516.9219	151193.0469	93450.21875	116131.0234	135279.0781	189964.0781	144458.5156	164772.9688	182600.5625	111531.2266	140543.6406	144835.75	129180.3359	220665.6875	202227.0156	166044.8906	198730.8438	251073.9219	262405.25	297521.875	288164.0938	295124.0938	236643.5	190875.3281	157982.25	9373.491211	16159.60742	18384.58008	28692.90625	28041.06641	42603.13281	13446.2959	22883.86523	24552.41406	7781.480469	10991.68945	9869.891602	9778.197266	13312.92383	17580.99219	10532.23926	13747.37695	11310.50098	41321.13281	55955.71094	56104.14453	6467.131348	11077.76758	9583.93457	16607.63086	22333.40234	20263.41406	15627.35059	19114.19531	20222.91016
PE(16:0/22:6)	551397.75	788888.125	168531.8594	159024.2813	108938.9688	134619.625	113961.4297	119449.0938	131269.3438	123028.5391	151353.8125	187097.3906	128079.8203	118967.8906	69446.38281	175054.7031	158973.3125	142794.8438	322879.1563	324629.2813	137648.9688	148587.7656	168432.5313	190526.4063	222297.1406	242154.1875	235490.4844	170949.1719	186467	123786.8516	1028728.875	1511677	1836439.5	495054.0313	568603.25	717822.375	572194.75	1193601	1207009.5	372197.4688	432517.9688	466297.0625	228860.4375	363418.3125	589408.875	455142.625	574537.875	573699.6875	1001271.375	1331636.875	1609161	170625.75	267354.9063	291177.2188	336614.0625	557958.875	657607.75	443528.9063	682375.3125	666354.9375
PE(18:0/0:0)	572418.875	576829.5625	199583.2969	404558.1875	350206.7188	348953.5938	364362.4063	248610.4531	271552.375	342128.9688	368173.3125	366823.1563	287031.0938	291798.9688	162698.9844	419071.5625	233077.4063	268650.625	661211	658403.625	525173.3125	527173.375	535093.5	507386.9063	428981.625	561651.6875	566415.5	657821.625	339130.6875	344003.7813	110284.7891	191613.5469	172969.3281	145615.1406	154062.1719	196754.125	94375.03125	193821.3281	221448.625	108946.9375	138734.9063	125680.6875	57443.10156	72031.90625	105201.3516	129400.2188	157165.7188	166486.1406	116239.6484	165657.8594	177621.0781	131688.8594	196072.0313	248042.6719	57572.84766	88274.47656	99588.83594	166746.1875	202783.0938	235787.9844
PE(18:0/18:1)	708195.9375	703012.375	277082.875	251665.1094	375754.6875	372931.9375	314150.875	284617.375	202980.2813	269717.6875	342914.125	301749.0625	342927.4375	334951.125	175666.2188	384126.4375	307720.25	297929.1563	690257.1875	548698.25	525913.4375	321228.4688	379945.0625	314370.5313	575540.5	548455.3125	599308	596764.75	425186.0938	335250	134594.2188	204639.6563	185081.6563	170569.0781	175841.5938	224000.0156	88104.85156	159416.2344	172306.4219	30524.54297	36311.48438	38835.22656	124470.7813	169364.8281	188262.3281	65028.24219	72366.4375	73531.55469	286541.4063	393758.5313	372046.6563	60594.08203	86995.92969	92545.07031	79755.34375	116860.2578	142322.4531	119187.4609	150776.7813	157487.6406
PE(18:0/18:2);PE(18:1/18:1)	792780.75	830480.0625	294119.0938	398743.8438	314198.4688	281119.5	432570.9375	352945.5	408912.9063	324179.9688	441966.8438	388190.375	425526.0938	450389.6563	287568.25	375505.25	310927.0938	291652.9688	1066182	802033.25	540947.1875	339349.5313	304223.0938	358265.4375	647420.5	651697.4375	729272.1875	785099.75	601428.75	435012.375	796169.125	1104031.375	1093663.625	666877.125	736700.3125	934863.9375	940534.3125	1311463.375	1554446.75	277012.3438	310372.5625	332645.0625	601377.625	748694.25	866084.6875	544373.3125	654924.6875	612808.875	1366208.375	2020935	1902303.625	430446.4063	562642.25	660475.25	399475.4063	582368.125	687342.0625	827637.3125	1093153.875	1057990.375
PE(18:0/20:3)	153904.5469	180448.75	44229.57422	60936.79688	87350.64844	80561.66406	117893.1797	85465.64844	77052.42969	52473.30078	55383.61719	41794.07031	50540.96094	48424.125	22657.08398	111039.7969	55517.25781	58674.10938	253088.5469	147846.625	139830.75	74348.72656	75402.58594	65746.39844	81591.86719	115533.1484	86986.51563	143865.5469	105507.2031	83431.70313	161212.7188	136865.9688	113041.75	120038.5938	143122.2344	181579.7813	217175.6563	180090.4688	230198.5469	25916.50391	31033.77148	29567.11523	50157.34766	65716.76563	84140.30469	55145.99609	74692.25781	67416.76563	640238.375	582528.625	580944.6875	49067.83594	40664.15234	45341.125	61158.19141	93884.61719	102629.2813	74850.42188	98700.63281	102230.0703
PE(18:0/20:4)	1383051.5	1160050.625	647095.75	1238478.625	1099460.125	1075881.625	571151.875	592351.1875	524065.6875	524280.6563	755726.3125	633562.875	487686.6563	710929.8125	466612.2188	862335.8125	715294.1875	710861.5625	1134161.25	785344.25	413674.7813	911417.125	1005711.313	888373.4375	1195584.25	1214204.875	1267433.25	1283671	1133941.375	989824.8125	937227.6875	1269936.75	1363479.375	1193870.75	1392741.25	1686221.25	640869.1875	1094875.25	1195134	413030.4375	519981.5	469060.25	808808	878468.75	1241489.5	606296.25	711508.125	752370.375	1562530.75	2072014	2196948.25	457971.9375	630351.3125	698526.4375	534820.1875	899948.5625	989431.4375	797718.8125	1127851	1151354.625
PE(18:0/22:6)	135934.6719	155341.0156	67818.92188	55798.13672	61728.49609	49797.96484	44227.80469	44798.22656	35831.21094	34831.96875	42266.44141	38857.94141	30454.57617	34431.32813	21162.02148	44923.35156	37590.95703	35644.05469	82381.42188	71196.48438	56866.18359	38773.48828	51667.82813	44443.36328	44975.66797	61709.42188	67596.07031	71404.07031	52603.57813	34361.52734	298565.4688	412330.0313	430034.4375	181474	169990.2188	238744.4844	190337.2656	311623.7188	311129.8438	79009.94531	93310.84375	98015.625	106360.2656	136952.1719	186574.8125	102482.0547	131000.9688	128131.5938	361410.8438	460940.5	467906.625	49736.41406	72045.25781	82935.33594	108822.2109	162182.8281	200651.2656	132259.5781	159929.7813	158836.8594
PE(18:1/0:0)	662867.8125	982028.1875	231659.3281	325475.8125	296144.2188	315801.4375	384459.9063	344726.6875	218661.8125	434969.6563	596994.75	636687.8125	330169.5938	392394.125	210597.7344	389959.2813	334759.5313	324952.1563	959803.375	863984.875	740537.4375	570456.8125	620708.875	626352.5	666852.9375	811743.3125	778071.1875	729260.625	494924.0938	523116.7813	68097.30469	111569.7969	130902.4453	81060.94531	91773.77344	143872.3125	57833.78125	110036.5547	131198.25	67319.64844	97675.60938	104286.7266	43407.12109	44801.97266	76205.71875	70015.21094	95004.34375	116316.7656	73714.17188	157784.0938	153746	87319.10156	158486.4531	192586.8281	33978.73438	55517.29688	76191	100583.6094	182465.8594	163142.5625
PE(18:1/18:2)	496719.0313	549545	220031.0313	208655.2344	188795.3594	155222.6563	387494.3438	400488.625	337101.5313	321338.5625	372190.9063	341238.25	217107.9844	266406.9375	160479.1719	323434.375	308399.1875	277075.9063	504284.5	425243	304217.0313	279546.2813	363387.6875	358400.5	490249.2813	449219.6875	505495.75	409739.875	312733.5313	456040.6875	137641.4844	184502.2656	182325.8594	64527.12109	70009.24219	90860.95313	98783.5625	199337.6875	200452.0469	55996.05859	62518.73438	63827.83984	58453.02734	71273.28125	95842.67969	82859.03125	103402.25	100432.8047	367526.6563	503072.0938	539448.0625	52340.96875	70344.17188	77127.34375	44114.51172	63531	81562.25	178063.4531	221433.6875	219950.1406
PE(18:2/0:0)	193827.375	199296.0938	77968.84375	47435.87891	62704.58203	61368.39063	140391.0781	119952.8047	140575.375	135831.2656	211232.5	201417.5625	90874.89063	87705.25781	61051.00391	119825.6094	112056.6016	113514.9297	211160.3594	215670.9063	157884.5313	189652.7813	206856.0469	196716.8906	174916.4531	196127.0938	187953.1094	302308.4375	190177.7031	192450.2031	124833.7813	190181.9688	178916.5781	89771.24219	91451.78125	124710.7422	112980.0547	251298.4844	289807.0625	176680.6719	220575.8281	237979.2031	75847.00781	84332.73438	116188.8359	167864.1719	199178.8906	223071.4688	125652.3359	203783.75	221895.625	157800.75	260927.3438	336326.0938	69349.25	83202.67188	108629.0547	183860.2969	246254.6406	259419.5156
PE(18:2/20:4)	1700487	2028514.875	227592.8906	756512.4375	501926.5625	407483.9375	1106044.625	974132.4375	892368.9375	865928.6875	632834.9375	778097.625	418142.875	495846.5625	230132.5469	760546.75	343462.5	553130.75	867313.5625	704481.875	412385.3125	1073224.25	1109533.375	1161720	1103791.625	1088255.25	1119819.5	2249779.25	1675710.625	1424030.875	83932.02344	100586.2344	101528.7734	57530.50391	65666.65625	84844.85156	79595.67188	133981	162241.4844	55194.97656	51914.10547	60826.26172	48058.07813	54774.58984	80552.55469	80469.35156	88533.46875	80642.82031	161613.5469	173552.5625	155047.4844	79014.63281	93101.35938	90621.07813	34223.10938	48783.07031	63377.86328	125129.3828	156862.4375	145573.5781
PE(20:3/0:0)	76403.86719	115137.1641	27587.90234	50021.52344	32080.86133	15340.47363	43393.25781	30851.0918	32351.19531	24767.99219	56296.10547	43020.63672	17765.58398	12213.06445	6233.383301	39765.39453	29556.38477	25827.06055	98196.20313	100815.9375	64501.52734	39477.69531	52053.13281	55818.03125	35956.44922	48717.92969	47317.83594	58387.58984	34035.82031	41476.88672	11315.33203	16773.7793	18572.55859	13082.48926	16013.70703	21852.85352	12523.93066	27852.64648	35788.30078	12932.69336	17725.40234	21838.91016	4591.450684	6958.097168	10444.11621	15220.46191	22119.85352	22459.10547	19973.23047	28056.45117	37129.58203	15164.18457	23494.55664	21036.56836	6400.226074	11679.26758	13016.34766	16021.68555	23005.63281	19666.15234
PE(20:4/0:0)	485683.75	490590.4375	220073.0156	382161.8438	334268.0313	327288.3125	208572.0156	186939.6719	145450.0156	293629.7188	355856.2813	372586.6875	201548.9375	272159.8438	124157.2578	248606.5313	251304.375	242243.6094	523817.25	341109.5	360041.75	394511.7188	382000.2188	449434.1563	386537.0938	466135.375	485713.4375	504716.7188	378128.0625	319803.2188	75746.71094	140054.4063	146704.2813	126303.9844	126458.4219	198411.4219	60942.80078	109942.6016	129957.6406	129959.2891	192339.5469	185404.1563	68641.10156	97366.48438	129195.3906	112199.0781	163685.7656	159109.5156	81192.8125	145820.0781	157219.3594	126771.2344	193899.4688	213472.4688	56302.55469	103326.5547	118740.4063	118866.1953	152600.0781	163219.0313
PE(22:4/0:0)	87839.85938	148229.3594	33414.79688	110092.4375	111925.5938	105448.0313	69443.60156	63804.77344	68326.55469	54141.73438	93852.04688	98817.91406	74124.86719	73343.14063	38720.03516	47721.99609	30822.21875	58063.55859	115319.3438	82261.25	58777.33203	126843.3984	114797.3984	140293.1563	111280.0781	102329.6172	131023.8203	114443.0469	79356.27344	44831.07031	644.1682129	1729.490234	1662.017212	3306.387451	4284.407227	7190.481445	1302.493164	3120.360352	4324.581543	2371.244873	1908.574707	3623.630127	1738.674805	1936.163452	3422.257324	2017.939575	2249.968506	2736.378174	1602.474731	3680.195313	3856.381104	1614.074951	5162.481445	6161.493652	1241.977051	1947.792236	2278.377441	2599.7146	4891.105469	7179.691406
PE(P-16:0/18:2)	74733.75	118727.2266	38235.83984	51496.91016	43498.01172	38717.19922	56158.41406	62465.95313	57153.55859	60264.08594	72706.47656	72125.46875	59881.22266	51527.26563	39312.76563	91534.46875	80375.5625	77539.52344	100818.6484	66519.44531	64527.53516	83304.11719	83967.95313	74563.05469	56316.04297	76008.35938	68398.79688	135460.4219	97019.63281	74235.24219	181167.5313	267143.5313	271932.625	180871.4063	193705.6406	274169.875	225067	340964.4375	405757	131260.8438	168516.0938	174640.6719	102429.625	111469.1953	164677.5469	309180.125	355383.1563	418594.0313	199417.6719	271048.5938	292991.375	183269.8594	271492.1875	277524.125	52829.87891	76858.09375	92947.67969	235282.4063	299138.5313	324593.8438
PE(P-16:0/20:4)	1047131.25	1163482.125	378460.625	758359.0625	526878.625	604216.25	514044.1563	501217.75	358807.4375	466987.3438	597552.0625	538066.625	625235.6875	508002.2813	349630.6563	609659.6875	532345.8125	232859.4531	957778.625	563988.9375	586795.625	724506.25	816403.0625	674396	820655.8125	894220.5625	758135.1875	1035152.563	702562.25	712643.1875	672069.125	1098450.125	966759.875	1289765	1330105.875	1425973.625	636314.625	1045463.563	1220297	494451.5938	588635.3125	581061.1875	584911.6875	687446	814598.4375	801273.25	1030006.938	1123561.75	838707.5	1170255.5	1230030.5	679691.1875	996893.5	1205964.625	234107.8281	429732.9688	472106.7188	926337.3125	1330623.75	1246086.25
PE(P-16:0/20:5)	85963.82813	96481.96094	36138.97266	19824.99023	24352.18945	21471.51563	22573.61719	26213.85938	28356.67773	23673.38477	20776.0957	24442.27344	17782.85156	18406.46875	11414.36816	43745.10547	37574.49219	39277.82422	32340.625	28620.01367	24892.75586	25366.53516	20289.07422	26648.8457	33297.16797	29128.82617	26822.11523	29262.06641	25077.66602	17789.44727	37875.41016	67928.71094	60194.76172	72539.05469	78410.09375	114794.4219	64500.17188	112693.3828	138707.2031	19892.13086	23514.70508	21868.43555	17214.74805	18662.55664	30116.36719	97311.78906	106509.625	120078.5938	24298.88867	34844.76172	35471.11719	30586.92969	46666.21484	53973.00781	9003.694336	12870.74512	20304.54688	33307.75391	45235.01563	44869.19141
PE(P-16:0/22:6)	368975.9375	388601.75	173201.4688	122132.1641	125916.0703	76330.67188	112580.7188	136577.2031	109825.8828	108872.5156	148023.1406	138521.1406	97732.57031	88104.6875	64914.10938	155057.125	153610.6563	129017.5938	252692.5	198358.625	133005.3594	169245.7031	159848.5469	172925.9375	159196.5313	163904.7969	165695.2344	217799.3438	163770.4688	149630.2969	393796.125	577227.75	533010.25	390025.7813	418126	549124	474685.9688	767579.0625	831961.625	240995.5	300896.2188	309514.8438	207956.6875	231186.1875	360851.0313	454393.375	554216	566622.25	305530.7188	479675.1563	454862.9688	304168.1563	420273.125	483808.3438	142435.3125	236703.6563	255131.0625	319486.5938	487641.9375	497393.9063
PE(P-18:0/18:1)	337503	408204.6875	174480.1719	198471.3438	226314.2031	233320.25	217497.4375	213701.4688	196882.5781	158577.3594	191060.3281	166311.4375	280004.375	284310.6563	189363.8594	244533.5313	202431.2813	189305.5313	513982.9688	433035.4688	328642.75	265920.3438	301529.6563	249233.9375	296389.875	307710.75	317811.75	291534.9375	197851.7969	224789.125	93105	140795.0469	135442.0625	168312.25	181082.8594	199527.3125	105466.3438	138729.5	150442.2031	53684.52344	54379.57031	59605.44922	77199.6875	90448.21875	114996.5703	132883.2969	134514.7969	144942.2813	118987.0625	153831.4219	167058.1563	96359.4375	112341.9531	125373.5625	62362.69922	94014.92188	114586.9141	115757.7891	121599.2891	111877.2813
PE(P-18:0/18:2)	253309.125	222256.5781	120461.5859	154587.8125	133471.2031	127834.0781	146051.9688	154016.0156	133600.0781	185442.5313	202734.4844	181772.3125	179236.7188	149685.9219	100679.3203	244768.375	222184.0156	190877.1406	274836.6875	196473.7188	200934.9844	231929.3125	248056.9688	214729.2813	224964.375	222837.5313	222741.9688	298140.5625	259949.5313	216461.1719	436664.8438	683178.9375	639735.1875	449636.75	507218.375	623580.3125	360681.8438	687024.4375	717974.5	295011	343471.8438	341631.7188	227850.0938	274487.375	349057.5625	782610.5	985224.375	941540.75	369624.625	572954.0625	608334.9375	440391.9688	682293	720387.125	174108	230679	284877.375	501378.875	714329.5	674357.5
PE(P-18:0/20:4)	2398320	3014555.75	1314848.25	1562578.875	2094324.25	2062721.5	1376478.125	1481603.5	1077063.25	1449770.375	1856505.5	1481019.75	1822669.875	2000224.875	1411464	1735407.875	1567339.25	1537406	2252881.5	2309698.75	1970266.375	2411487.25	2633527	2293940.5	2578001.75	2585212.25	2747603.25	2416800.5	2124847.75	1954137.375	1102128.5	1747690.5	1889662.125	1596409.5	1815355	2028791.125	734122.0625	1323134.5	1334163.25	686728.6875	839159.8125	891125	799023.8125	837356	1184940	1585284.125	1861803	1886697.5	1078445.875	1621976.375	1763066.25	1052038.125	1530647.25	1870627.25	574140.125	869539.8125	1006419.125	1619239.875	1925488.75	2059880.125
PE(P-18:0/22:4)	429114.25	367500.0625	199184.6094	585764.375	495854.0938	500402.5938	339645	318307.125	275006.2813	341359.4063	390423.4688	348640.25	469524.2813	311759.4375	313996.875	352010.375	307245.4375	199414.1094	528584.5625	446897.6563	416178.4063	712015.3125	699812.5	611647.3125	685553.375	883291.625	840729.1875	533783.1875	575725.875	492473.625	16912.68945	4929.763672	5702.75	9931.433594	10876.125	13302.07813	20842.02734	8707.858398	10224.39453	8014.04248	5886.777344	6048.018555	3912.669434	3617.455566	4762.574707	18156.6543	6942.892578	6947.528809	31011.86719	9784.496094	7961.247559	33404.93359	8415.737305	10397.78516	4406.749023	9365.084961	7790.434082	10798.28711	8750.396484	9045.897461
PE(P-18:0/22:6)	1960739.875	2562669.25	524243.75	579668.625	625874.9375	611285.0625	747617.9375	521346.375	497958.4063	542086.0625	647368.4375	561977.5	387907.4063	407168.1563	130501.9609	959765.25	532088.75	450195.7813	1828614.625	888180.125	783021.375	1275274.125	1293419.625	875113.0625	502836.5625	891369.625	645906.3125	1741367.625	944665.3125	783827.1875	1126017.75	1232934	1198261.875	565309.75	624369.8125	1013564	828536.3125	1193584.25	1343878	448452.4063	563472.5	571471.5	264362.8125	345064.4375	424476.8438	979778.375	1231974.75	1368813.25	642280.75	760866.625	902149.5	737809.625	952177.5	1049285.5	238283.3281	371106.875	502382.7188	791226.125	1175365.375	1123808.375
PE(P-18:1/20:4)	997065.875	1057281.25	435663.5	513319.1563	540208.6875	462732.4063	388142.2813	398199.6563	402826.125	383238.375	657486.375	490080.0625	453782.25	467077.3438	327044.5625	578950.125	512933.0938	514120.2813	821818.3125	614082.6875	531249.9375	685864.5	809933.5625	822095.5	820143.25	710724	752928.6875	1038772.438	840613.125	613091.25	510676.5313	707040.0625	705642.6875	666715.5	732891.75	951992.6875	458657.7813	777749.1875	812093	335734.8125	394595.625	428045.3125	304549.5	359293.7188	503501.2188	472888.5	568220.75	594957.4375	564752.6875	792686.0625	868769	488198.0938	661168.1875	706612.0625	154308.2188	245185.4531	305799.0313	790128.9375	999457.6875	1026350.688
PE(P-18:1/22:6)	289714.375	315641.7188	58664.16406	57762.64063	53461.27344	54125.125	78860.00781	63248.73047	44887.69141	87874.07813	114983.3594	89174.49219	39107.46094	40656.51563	25332.95508	87595	77006.21094	65849.66406	112074.3438	93860.10938	70948.22656	75572.41406	88044.72656	89752.15625	78449.99219	85996.49219	91710.64063	112580.5078	92204.01563	74798.66406	241127.7031	296968	282577.125	111122.4063	107566.3672	187909.2656	148609.2656	286384.7813	323291	101792.4609	109312.8906	123192.1484	47336.73828	58757.16797	78701.97656	141992	176423.4375	182770.4531	118212.6484	159744.1094	170557.4375	114258.8438	147661.1094	175490.9063	41699.60938	73690.48438	94627.29688	168470.9375	219118.2813	227227.0469
PE(P-20:0/18:2)	26232.9668	27454.2168	10807.80371	10077.39746	12757.01855	12507.5	13219.55469	12546.65723	12483.15332	16431.20703	20552.11133	16541.79688	12882.37598	14954.34961	9934.775391	18809.74609	12404.41992	15981.37402	18854.25	18212.75977	13564.77051	17197.66211	19806.13086	17085.7168	21335.39844	20052.33203	23406.11523	23513.79102	22260.61719	16717.30859	32593.45508	38540.76172	40378.20313	35512.94531	37845.21094	46071.58203	39174.12109	55330.1875	63359.12891	36359.82813	39677.34766	38708.67188	18902.41211	22141.76172	25761.71875	49040.80469	55765.11328	50323.41016	43521.44922	51192.21094	46370.53906	42049.73828	52643.98438	54653.70703	16784.80664	19792.9043	25518.06055	42208.07422	45888.15625	45730.28906
PE(P-20:0/20:4)	74463.71094	72731.6875	30259.84961	60574.125	59769.48438	60450.94141	41131.79688	27912.04688	37625.08594	44162.46484	59337.65625	47597.72656	54116.21875	58034.26563	34252.97266	61605.16406	54661.95703	46633.54297	81916.73438	65973.14063	48231.34375	57037.09375	67420.79688	67364.13281	92658.74219	87173.74219	92273.79688	74223.46875	75920.26563	58273.13281	47161.59375	56636.29297	51698.82422	61069.20313	60736.09766	83697.78906	36462.02734	56249.03516	58526.73828	48162.52344	47045.22656	54205.19531	32913.43359	38695.63672	48539.66016	44354.85547	58397.74219	60077.10156	62204.02734	73365.4375	78609.60938	52490.50391	75297.85156	85114.41406	21109.29883	31110.10547	36962.02734	64297.65234	80600.48438	83001.05469
PE(P-20:0/22:6)	10475.20801	9324.574219	4601.499023	0	6928.311035	4415.345215	5142.830078	4330.019531	4834.191406	4779.912598	5933.055664	6053.00293	3722.308105	4129.353027	1849.999512	4849.288086	5775.477051	5398.599121	7203.355957	6824.070801	4867.851563	7894.284668	7045.943359	8225.769531	5292.381836	9937.915039	7738.194824	11087.37402	0	4636.369141	22991.78906	33049.90234	34397.19531	13404.38281	17063.08594	21663.92383	22996.5957	35076.82813	34102.57813	19305.95313	23552.65234	24901.78906	7427.9375	10498.53027	12327.92578	25077.1582	27851.92773	31121.26758	17210.36719	24181.79688	23407.12109	20155.32422	30899.66406	32021.66406	8744.489258	13838.31934	14492.53125	24856.75	28317.61914	29852.01172
PG(14:0/14:0)	14826.63867	19114.27148	4195.098145	8503.262695	6279.533203	8023.799316	6748.371094	4327.378906	3953.919922	2306.679688	2991.57251	3860.25415	1371.775879	1640.130493	933.2915649	2903.204834	2049.611572	2644.207031	2987.171875	2168.248779	1964.678467	1900.071289	2338.946533	2581.532959	2288.796631	2408.693115	2548.241211	3341.553223	1100.971313	1580.721802	1573.109131	2660.69043	2739.801758	2132.498291	2347.954102	3792.257813	851.3570557	2121.614746	2302.721191	2061.338623	2744.514648	2675.726807	909.2316895	1202.74939	2061.61084	1577.401978	2182.600586	2457.313232	1078.022095	2525.111084	2761.723877	1584.651245	2302.348145	2851.717773	743.9824829	907.3004761	1707.845825	1789.32019	2820.659424	2554.125488
PI(16:0/16:0)	10559.33887	10304.48633	2024.704346	7638.035156	5165.892578	4576.656738	4543.192871	3368.857666	2784.392334	7143.802734	5342.611816	4452.652832	6634.144531	7538.046387	3248.916748	6321.692871	4414.427734	3676.455322	6416.754883	4920.604492	2913.730957	7142.308594	6389.071289	4558.097168	10922.68066	9137.227539	8280.311523	10859.97656	5441.99707	5460.100098	3984.493896	5802.913086	6989.915039	7074.413086	8557.786133	9733.091797	2107.50415	4050.762207	4583.500488	2817.699463	3251.236084	3549.448975	4467.950684	5426.395508	6163.316895	2926.11499	4083.680176	4553.340332	1770.835938	2797.44165	2732.794189	2976.84668	5262.833496	7403.737305	3683.26416	5110.187988	6162.921387	3592.331055	4289.150391	4368.355957
PI(16:0/16:1)	3178.042969	4143.833008	1293.06897	9750.795898	9103.261719	11168.6123	4462.325684	3699.218262	4252.708984	2782.741211	2540.360107	3361.036865	5539.978027	5901.480957	2894.703369	2273.735596	2147.380859	2785.619629	2206.082275	1814.534668	2393.862549	2035.960571	1875.94165	2234.865967	9187.232422	10319.31348	11048.30371	2292.431641	1788.924194	1348.991333	3800.510986	5864.876465	6113.439453	23647.63281	25988.44727	35745.57031	4708.358398	7282.45752	9432.070313	3964.277344	4697.334961	6082.179688	6905.162598	8179.206055	13376.04785	3756.93042	5348.937988	4543.061523	3510.513672	5068.047363	5990.830078	3077.231201	4572.227051	6115.544922	8677.924805	15900.59375	20616.69922	2687.466797	3771.099609	4761.290039
PI(16:0/18:1)	29523.49609	36314.29297	10599.11133	53175.66797	50524.11719	55703.21875	25868.4375	26106.45703	21143.13672	11698.69141	14192.65137	13075.41797	24934.08984	21956.54688	17003.19922	24502.60742	22819.91211	21918.83789	28817.50586	28004.37695	16236.21973	20401.64258	24387.59961	21203.31836	36529.63672	37565.88281	37819.05078	27288.71875	17192.44531	19990.76172	55776.24609	95377.04688	98402.60938	125159.9688	151517.3125	179099.0469	35545.91797	70150.22656	74685.19531	27070.42188	34555.54297	37969.03516	48581.38672	56171.14844	80744.54688	57343.125	74128.67188	80173.88281	49003.09375	82184.88281	79957.3125	49657.29688	78827.72656	90746.29688	50592.37109	84883.07031	102182.8594	47863.09766	58755.40625	64909.53125
PI(16:0/18:2)	44829.36328	51658.01953	13167.84375	53146.51563	41078.32031	34660.28125	49152.70703	34936.45703	27741.10742	26187.62305	25907.625	24741.12891	32958.53906	41331.76172	19058.72266	37064.46484	39081.52344	29309.68555	56116.49219	38581.10547	27197.58203	49983.73047	41424.26172	40315.97266	53331.4375	57874.125	65358.99609	79573.73438	45040.67969	40038.78906	66429.89063	89436.13281	101208.1953	76209.01563	81178.20313	111795.5859	61903.57031	96713.17969	123830.8438	47318.09375	63594.79688	68461.63281	41791.84375	53718.97266	86930.26563	84705.32813	96369.53125	108649.2734	72122.66406	96937.875	106547.0469	70161.25	106982.3203	133691.9063	53653.13281	90109.78125	115288.3438	81745.21094	112611.1094	130647.3594
PI(16:0/20:3);PI(18:1/18:2)_B	12356.76172	19634.52344	4747.932129	8422.238281	10735.68945	10643.8916	12881.70215	9764.723633	9687.760742	11009.24609	14812.58691	13154.92188	9022.668945	8759.423828	6478.246582	16387.33984	14818.33008	14744.04785	19675.45508	11762.18164	11315.93848	13190.53027	13656.99805	14638.38086	11213.93066	12814.05078	17367.91211	23181.25781	19540.3125	15525.00391	37837.64453	53534.88672	53435.10938	40818.08984	42929.47656	64358.79688	26973.26563	47314.08984	59072.41797	44469.15234	54512.10156	59114.26172	13649.24902	19796.26367	26582.20703	59332.77344	76060.17188	79024.82813	44950.74609	61608.32813	68498.57031	39186.73438	58759.90234	68963.46875	25155.38672	41861.11719	50214.94531	49287.06641	69245.35156	72070.63281
PI(16:0/20:4)	35861.92578	67727.26563	16955.63086	78671.42969	49027.92969	59786.27344	28482.94922	29063.98633	28250.82617	25705.33789	27992.79883	23495.43945	41096.14844	45091.82813	26137.98633	44256.4375	25803.8125	30965.26172	59212.08594	53092.49219	32923.14844	43916.88672	39766.57422	29245.8457	51687.71094	46490.92188	51778.82422	62695.62109	37708.59766	26835.11719	100605.9063	137798.2813	153689.8125	198230.0469	215398.75	301595.125	71560.63281	108658.1875	143069.0156	44749.07422	64906.80859	77452.57813	73470.6875	92655.53906	142239.4375	81419.78906	99553.67969	107315.0547	106095.9609	145770.6406	169119.9844	75062.32031	110474.6875	132911.2188	51489.53516	89462.97656	109859.6719	78056.5625	118842.7344	138591.7188
PI(16:0/22:6)	5418.023926	7391.754395	2613.950439	2951.895508	1840.860474	2464.107178	2237.488037	1412.750488	1487.395752	1541.8927	1961.63562	1630.136841	1277.80188	1303.381714	827.1293335	3086.314697	3155.465332	2254.099609	2444.339355	2081.497559	1333.196899	2175.478027	2363.687012	2598.44165	3252.996582	3369.206055	4033.73584	4139.359863	2477.916992	2027.391113	18808.94531	29588.63086	31590.57617	13296.29395	15036.27734	22156.91797	6082.359863	10812.34473	14294.25488	6454.34082	9010.920898	10249.5918	4756.550781	5726.978027	9128.972656	11558.83789	16633.06445	15475.16992	6546.724121	9635.302734	12319.50195	8234.429688	13135.62891	17799.43945	6122.843262	10460.61035	13626.83008	9679.170898	15286.59082	17378.72266
PI(16:1/18:1)	44829.36328	51658.01953	13167.84375	53146.51563	41078.32031	34660.28125	49152.70703	34936.45703	27741.10742	26187.62305	25907.625	24741.12891	32958.53906	41331.76172	19058.72266	37064.46484	39081.52344	29309.68555	56116.49219	38581.10547	27197.58203	49983.73047	41424.26172	40315.97266	53331.4375	57874.125	65358.99609	79573.73438	45040.67969	40038.78906	66429.89063	89436.13281	101208.1953	76209.01563	81178.20313	111795.5859	61903.57031	96713.17969	123830.8438	47318.09375	63594.79688	68461.63281	41791.84375	53718.97266	86930.26563	84705.32813	96369.53125	108649.2734	72122.66406	96937.875	106547.0469	70161.25	106982.3203	133691.9063	53653.13281	90109.78125	115288.3438	81745.21094	112611.1094	130647.3594
PI(17:0/18:2)	1937.70105	2407.131592	690.777832	2021.313232	1223.327271	1560.465088	1913.85376	1808.269897	1313.32251	1270.531738	1492.476196	1395.144531	1046.730103	1590.303955	1046.53894	2686.828857	2462.04541	1876.214966	2407.85083	1693.475586	1679.238159	1825.155273	1584.437134	1244.238037	2464.876465	2041.03125	1940.359131	2239.712402	1435.157349	1402.516357	5413.788574	7425.058594	7842.899902	5682.629395	6764.193848	9148.652344	2788.499756	7118.810059	7600.055176	3210.431152	4845.148438	5103.977539	2519.207275	3166.293457	4297.836426	6212.474609	7409.158691	8121.884766	4521.882324	7218.932617	6847.220215	4027.473633	6554.949219	7977.770996	3041.734863	5175.081055	6773.425781	4955.450684	7161.088379	7684.773926
PI(17:0/20:4)	4571.128418	6436.125488	2306.096436	6424.630371	6597.094238	5451.5	2198.467773	2475.115479	3172.830566	2344.16626	2476.668457	2298.747314	3066.356445	3614.887939	2874.252441	3426.203369	2619.657715	3260.166504	4113.978516	3801.022949	2884.128662	3067.091309	3856.980225	3208.057617	3886.119385	3819.53125	4181.796387	4548.785156	2733.190186	2701.011963	12431.78809	18865.75391	21082.375	27343.02539	33364.72656	40357.75	6776.337402	12445.79785	15914.59375	6220.07666	8911.925781	9897.635742	6679.54248	9084.265625	13763.23047	11686.97266	13165.20703	14131.25586	9230.930664	16876.55664	16884.33984	7440.979492	12915.78418	14007.8877	5503.747559	9861.392578	12401.22852	8891.791016	13606.00098	14438.25
PI(18:0/18:1)	36792.43359	35424.81641	13071.36621	41351.67578	47253.72656	33162.77344	20366.63867	22828.94922	20442.94922	12521.14453	10762.59668	9087.177734	23113.85938	21786.16602	14435.64258	30503.02734	25080.58789	24655.08203	34253.17969	27765.20313	20570.21875	20078.4707	27454.47461	25764.59375	23295.44141	26696.44922	28062.88477	28807.71094	14127.94141	15183.49219	58633.62109	72483.375	78277.1875	53190.28125	58936.25	85617.09375	24453.43555	39286.28125	44357.35938	22228.25	23355.88086	25322.80078	18683.69141	20177.73242	31496.31641	48265.02734	56109.46094	55775.91406	40869.375	47845.10938	52115.66406	47247.91797	55935.47266	74759.52344	20858.33789	33285.32813	41124.19922	37425.3125	49179.92188	58940.33984
PI(18:0/18:2)_A	10268.52637	5072.034668	3769.024658	12138.89746	6012.338867	6502.472656	6936.776367	4834.643555	5775.826172	2696.692627	2922.699707	2210.899902	2756.124023	4616.478516	2132.915771	9569.74707	11149.67188	3979.864746	8406.883789	8480.630859	4471.105957	4912.74707	5549.057129	5468.402832	5103.100098	8348.983398	6061.532227	8745.930664	5853.838867	6857.719727	24122.45703	268947.4063	285233.1875	124906.9609	134779.7656	170822.8438	9910.610352	233397.625	274145.8438	174313.5625	196178.9375	238145.1563	91200.03906	114415.8203	145664.5625	211832.0781	278247.9688	300461.8438	23315.61328	216836.9063	233333.0469	15805.46484	275924.1875	317908.625	130525.1016	199222.2656	228825.2969	240112.5	292443.875	332703.5625
PI(18:0/18:2)_B	1600214.875	1741909.75	72238.01563	758447.3125	414071.4688	289260.75	843245.5625	564603.0625	417707.875	570797.125	781024.9375	613044.25	505207.375	457690.5625	130679.0547	2008286	175338.7656	777398	1315352.5	766313.5	403716.9375	527774.3125	944940.5625	751586.375	954291.9375	804690.8125	838208.9375	2164272.25	775542.5625	412315.0313	701899	211238.5	173220.3438	153187.625	127104.4531	158339.2969	397522.2188	157502.2969	153264.8594	164552.6719	141925.0313	137370.4844	70836.10156	77731.51563	73106.28125	200100.8281	220886.3281	224763.2344	429453.625	140113	102266.7656	573390.5625	209114.0625	217658.3281	80746.96875	113040.3516	136768.5156	197999.5781	231592.9531	178038.5625
PI(18:0/20:3);PI(18:0/20:3)	64126.25781	52150.02344	18954.1875	44484.14453	39116.59375	40042.32422	44431.52344	36760.55078	31125.34961	27356.01367	27619.43945	21615.73828	28913.56445	30316.83203	16950.4375	42143.29688	39293.95313	32614.44141	76675.51563	63761.86719	45914.93359	27358.14063	21380.69922	23846.52734	29105.39063	31180.39648	24617.31836	38436.89063	29303.83984	28180.73828	82334.82813	26710.03711	24295.18359	39113.89063	42636.05078	51365.92969	81285.89063	20876.74023	23705.13086	15545.63379	27504.68945	21077.11133	19104.45313	19539.24219	22015.05469	18138.08789	22900.57031	24968.72852	121461.7109	36957.33203	57985.48828	44973.41406	19156.6582	29539.78516	10162.88867	21238.95313	24262.74805	21538.98242	18210.92188	15990.44336
PI(18:0/20:4)	44219.57031	292111	51026.32031	33662.90625	272002.5313	362749.875	123881.6563	204014.7188	102140.3125	221885.8125	220137.3594	213675.3281	25111.98242	129631.4063	137518.75	217284.6094	0	128422.2422	185123.4063	257931.1094	122556.5	107712.9766	218225.5781	314980.5313	82808.80469	216092.5625	126285.3047	260591.1094	258141.0313	271852.25	1071014.125	1290883.5	1403886.625	1485147.75	1571188	1923275.375	760344.5	1108470.625	1228385.875	644054.8125	794194.5	913395.5	612938.9375	767554.8125	1006694.563	835135.8125	1014924.625	1168529.125	1071539.125	1187019.5	1311060	813478.9375	993679.4375	1209629.375	476782.9688	775707.625	843243.5	809318.5625	970348.125	1122328.625
PI(18:0/22:6)	14928.46289	23114.91992	7496.925293	6604.876465	8101.928711	6928.168457	4237.182129	5669.166504	6431.96875	5492.589355	4743.271484	4546.229492	5262.663086	3860.534912	4328.623535	6991.208496	6964.499512	5388.577148	5829.518555	5437.333984	5701.847168	5490.39502	7837.405762	7354.353516	7364.260254	6614.11084	8830.902344	7100.504883	7014.955566	6831.163086	78431.84375	129896.6875	147775.9063	72375.88281	65685.71875	100661.1172	28557.69336	60830.10547	81810.85156	32956.82031	45134.49609	51659.3125	15907.75293	21650.15039	28786.66602	39545.24219	54470.82422	51624.07031	27784.57422	42136.07422	50422.61328	29199.83984	50867.53906	66543.25781	30500.5	45572.78906	60879.76953	35355.67188	51538.39844	56020.02734
PI(18:1/18:2)_A	0	9675.866211	3839.830811	10102.52441	8055.747559	8087.842285	0	4182.470703	0	2888.778076	4008.018555	3371.219727	5201.03125	5548.133301	3808.358398	3362.821777	2702.236572	4452.129883	0	5938.633301	5191.065918	0	7813.162109	3987.207764	5125.66748	8131.598633	6892.585449	0	4678.825684	3725.086426	0	46118.58203	54001.26563	9547.633789	11055.73438	15793.37598	8438	25471.86328	33479.58984	19880.72266	27429.57813	28831.14063	5093.03125	6525.81543	9676.000977	40032.08203	52204.55469	58622.97656	13128.99414	35731.04688	36242.15234	9489.150391	34462.72266	42970.27734	8450.541016	16320.05469	21157.98242	48219.44141	67767.82813	68685.72656
PI(18:1/20:4)	25967.00781	37060.24609	12167.58008	33557.06641	29148.63867	29630.68359	20576.58008	18150.05469	17849.18555	28184.75586	33811.74219	30595.51953	25539.91406	27696.39844	17725.7168	28082.47852	23045.63672	22596.50781	26508.96094	20236.91602	17784.41406	33881.63281	33401.89844	30667.49805	28935.8457	38098.50781	35382.07031	52883.09375	34776.29688	29489.77539	71716.07031	90111.21875	101522.5625	86011.32813	97067.86719	132398.3438	35617.92969	62733.21094	82819.53125	84080.125	105188.5313	113558.125	30279.31055	40707.32422	62459.46875	81989.59375	101478.7109	103025.1797	54371.32031	78534.77344	82453.67188	71372.75	111148.8438	127282.5156	37973.06641	63732.41406	81059.8125	92476.17969	126490.2891	127875.0938
PS(18:1/20:4)	15176.16797	15610.67285	3571.751709	10046.49121	6424.567871	6484.048828	6424.367676	4164.338867	3353.706299	12045.52832	9612.375	8954.736328	7943.741699	10609.20703	4127.364258	10028.53516	5753.643555	5594.237305	11307.36914	6480.56543	3793.837402	12728.92188	12425.54297	8844.205078	16954.01172	14377.35742	12775.89355	18584.61523	11186.80371	9045.567383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	229.3736267	0	0	0	0	0	0	0	119.5159912	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z	retention time
Cer(d16:1/23:0)	606.5796208	62.16888177
Cer(d18:1/16:0)	536.5017135	55.33767604
Cer(d18:1/18:0);Cer(d16:1/20:0)	564.5327465	58.12623073
Cer(d18:1/20:0)	592.5643515	60.95336589
Cer(d18:1/22:0)	620.5951895	63.0458487
Cer(d18:1/23:0)	634.610806	63.97875182
Cer(d18:1/24:0)	648.6265712	64.80926016
Cer(d18:1/24:1)	646.6108418	63.0115125
Cer(d18:1/26:0)	676.657507	66.24534349
Cer(d18:1/26:1)	674.641942	64.70784349
Cer(d18:2/16:0)	534.4860508	52.57842708
Cer(d18:2/22:0)	618.5795088	61.39794557
GalCer(d18:1/16:0)	698.5534249	51.90017682
GalCer(d18:1/22:0)	782.6469119	60.65305391
GalCer(d18:1/24:0)	810.6779028	62.75729479
GalCer(d18:1/24:1)	808.6622494	60.59012734
PE(16:0/0:0)	452.2757268	19.26397005
PE(16:0/16:1)	688.4881418	52.23883255
PE(16:0/18:0)	718.5352426	50.63508857
PE(16:0/18:1)	716.5194276	55.51005469
PE(16:0/18:2)	714.5038249	53.23766068
PE(16:0/18:3);PE(16:1/18:2)	712.4883369	50.78309036
PE(16:0/20:4)	738.5036725	53.02680495
PE(16:0/20:5)	736.4884086	50.68984375
PE(16:0/22:4)	766.534987	55.29343099
PE(16:0/22:6)	762.5033264	52.34099453
PE(18:0/0:0)	480.3068269	23.93687578
PE(18:0/18:1)	744.550809	58.19935729
PE(18:0/18:2);PE(18:1/18:1)	742.53509	56.22852005
PE(18:0/20:3)	768.5508571	57.15496016
PE(18:0/20:4)	766.5346774	56.18081198
PE(18:0/22:6)	790.5346321	55.62458854
PE(18:1/0:0)	478.2909935	20.26647188
PE(18:1/18:2)	740.519464	53.8011388
PE(18:2/0:0)	476.2757801	17.00432031
PE(18:2/20:4)	762.5036627	50.80150755
PE(20:3/0:0)	502.2909022	18.66577135
PE(20:4/0:0)	500.2756216	16.76009531
PE(22:4/0:0)	528.306329	20.36130521
PE(P-16:0/18:2)	698.5089617	55.11740286
PE(P-16:0/20:4)	722.5089005	54.84616745
PE(P-16:0/20:5)	720.4931283	52.75565026
PE(P-16:0/22:6)	746.5087134	54.19300859
PE(P-18:0/18:1)	728.5556383	59.90695339
PE(P-18:0/18:2)	726.5401783	57.85841615
PE(P-18:0/20:4)	750.5399343	57.62129375
PE(P-18:0/22:4)	778.5717363	59.45681016
PE(P-18:0/22:6)	774.5397305	57.1216013
PE(P-18:1/20:4)	748.5242472	55.2176763
PE(P-18:1/22:6)	772.5241961	54.67669063
PE(P-20:0/18:2)	754.5703024	60.63156823
PE(P-20:0/20:4)	778.571275	60.40392552
PE(P-20:0/22:6)	802.5706122	59.84111371
PG(14:0/14:0)	665.4362327	36.19692734
PI(16:0/16:0)	809.5128522	47.89977448
PI(16:0/16:1)	807.4979177	43.23103229
PI(16:0/18:1)	835.5289837	48.81504505
PI(16:0/18:2)	833.5135083	45.13122917
PI(16:0/20:3);PI(18:1/18:2)_B	859.5289549	46.83129167
PI(16:0/20:4)	857.5130384	44.97520599
PI(16:0/22:6)	881.5134924	43.82610677
PI(16:1/18:1)	833.513385	45.13122917
PI(17:0/18:2)	847.5285306	47.92373516
PI(17:0/20:4)	871.5294901	47.80506979
PI(18:0/18:1)	863.5597024	52.53996224
PI(18:0/18:2)_A	861.544652	49.80402083
PI(18:0/18:2)_B	861.5446477	50.67008672
PI(18:0/20:3);PI(18:0/20:3)	887.5597088	51.55413646
PI(18:0/20:4)	885.5440965	49.95090185
PI(18:0/22:6)	909.5440527	49.31249922
PI(18:1/18:2)_A	859.5244989	45.53549766
PI(18:1/20:4)	883.5286193	46.76328151
PS(18:1/20:4)	808.5085378	48.29918088
METABOLITES_END
#END