#METABOLOMICS WORKBENCH shancock_20221019_185557 DATATRACK_ID:3526 STUDY_ID:ST002366 ANALYSIS_ID:AN003861 PROJECT_ID:PR001521
VERSION             	1
CREATED_ON             	November 29, 2022, 9:38 am
#PROJECT
PR:PROJECT_TITLE                 	Single cell lipidomics
PR:PROJECT_TYPE                  	Quantitative lipidomics
PR:PROJECT_SUMMARY               	Analysis of lipids from single cells isolated by FACS.
PR:INSTITUTE                     	Victor Chang Cardiac Research Institute
PR:LABORATORY                    	Cellular Bioenergetics Laboratory
PR:LAST_NAME                     	Hancock
PR:FIRST_NAME                    	Sarah
PR:ADDRESS                       	Lowy Packer Building, 405 Liverpool Street, Darlinghurst, NSW, Australia 2010
PR:EMAIL                         	s.hancock@victorchang.edu.au
PR:PHONE                         	+61414537526
PR:FUNDING_SOURCE                	PdCCRS
PR:PROJECT_COMMENTS              	Study 1 of 2
#STUDY
ST:STUDY_TITLE                   	Single cell lipidome analysis of phosphatidylcholines and spingomyelins from
ST:STUDY_TITLE                   	HepG2 and C2C12 cells
ST:STUDY_TYPE                    	Quantitative single cell lipidomics
ST:STUDY_SUMMARY                 	We have developed a high-throughput method for the detection and quantification
ST:STUDY_SUMMARY                 	of a wide range of phosphatidylcholine (PC) and sphingomyelin (SM) species from
ST:STUDY_SUMMARY                 	single cells that combines fluorescence-assisted cell sorting (FACS) with
ST:STUDY_SUMMARY                 	automated chip-based nanoelectrospray ionization (nanoESI) and shotgun
ST:STUDY_SUMMARY                 	lipidomics. Using this method we can detect and perform relative quantitation on
ST:STUDY_SUMMARY                 	more than >50 different PC and SM species from immortalised human cells, and can
ST:STUDY_SUMMARY                 	easily distinguish between cells of different lineages (e.g. hepatocarcinoma
ST:STUDY_SUMMARY                 	HePG2 vs C2C12 myoblasts) and cells treated with exogenous fatty acids.
ST:INSTITUTE                     	Victor Chang Cardiac Research Institute
ST:LABORATORY                    	Cellular Bioenergetics Laboratory
ST:LAST_NAME                     	Hancock
ST:FIRST_NAME                    	Sarah
ST:ADDRESS                       	Lowy Packer Building, 405 Liverpool Street, Darlinghurst, NSW, 2010, Australia
ST:EMAIL                         	s.hancock@victorchang.edu.au
ST:PHONE                         	+61414537526
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	HepG2	HepG2-A01	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-A02	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-A03	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-A07	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-A08	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-A09	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=HepG2-A09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H06	Treatment:N/A | cell number:bulk_extract | type:blank	RAW_FILE_NAME=HepG2-H06.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H07	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H08	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H09	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H10	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H10.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H11	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H11.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H12	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=HepG2-H12.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-B09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-B09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-C09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-C09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-D09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-D09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-E09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-E09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-F09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-F09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G03.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G07.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G08.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-G09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=HepG2-G09.mzML
SUBJECT_SAMPLE_FACTORS           	HepG2	HepG2-H01	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=HepG2-H01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG3	HepG2-H02	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=HepG2-H02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG4	HepG2-H03	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=HepG2-H03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A01	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A02	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A03	Treatment:CON | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A07	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A08	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-A09	Treatment:DHA | cell number:fifty_cells | type:sample	RAW_FILE_NAME=C2C12-A09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H06	Treatment:N/A | cell number:bulk_extract | type:blank	RAW_FILE_NAME=C2C12-H06.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H07	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H08	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H09	Treatment:CON | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H10	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H10.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H11	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H11.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H12	Treatment:DHA | cell number:bulk_extract | type:sample	RAW_FILE_NAME=C2C12-H12.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-B09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-B09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-C09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-C09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-D09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-D09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-E09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-E09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-F09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-F09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G01	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G01.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G02	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G02.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G03	Treatment:CON | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G03.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G07	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G07.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G08	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G08.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-G09	Treatment:DHA | cell number:single_cells | type:sample	RAW_FILE_NAME=C2C12-G09.mzML
SUBJECT_SAMPLE_FACTORS           	C2C12	C2C12-H01	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=C2C12-H01.mzML
SUBJECT_SAMPLE_FACTORS           	HepG3	C2C12-H02	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=C2C12-H02.mzML
SUBJECT_SAMPLE_FACTORS           	HepG4	C2C12-H03	Treatment:N/A | cell number:single_cells | type:blank	RAW_FILE_NAME=C2C12-H03.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were obtained from established immortalised adherent human cell lines
CO:COLLECTION_SUMMARY            	HepG2 (hepatocarcinoma) and C2C12 (myoblasts). Cells were cultured in high
CO:COLLECTION_SUMMARY            	glucose DMEM (D6429, Sigma-Aldrich) with 10% heat-inactivated fetal calf serum
CO:COLLECTION_SUMMARY            	and incubated at 37°C in 5% CO2. Cell media was changed every three days and
CO:COLLECTION_SUMMARY            	cells were passaged regularly at ~80-90% confluency by trypsinization. Cell
CO:COLLECTION_SUMMARY            	lines were regularly screened for mycoplasma infection.
CO:SAMPLE_TYPE                   	Adherent cell lines
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were treated by applying docosahexaenoic acid (DHA) conjugated to bovine
TR:TREATMENT_SUMMARY             	serum albumin (BSA). DHA was obtained from Avanti Polar lipids (Alabaster, AL,
TR:TREATMENT_SUMMARY             	USA) and dissolved in 100% ethanol at a concentration of 100 mM. 25 μL of DHA
TR:TREATMENT_SUMMARY             	stock or 25 μl of 100% ethanol (CON) was added per 50 mL of normal growth media
TR:TREATMENT_SUMMARY             	containing 2% (w/v) of fatty acid-free BSA. Media was sterile filtered by
TR:TREATMENT_SUMMARY             	passing it through a 0.2 μM PES filter, and then both CON and DHA-containing
TR:TREATMENT_SUMMARY             	media were incubated in a water bath for 2 hours at 55ºC to conjugate DHA to
TR:TREATMENT_SUMMARY             	BSA. Conjugated media was stored at 4ºC until used. Cells were incubated
TR:TREATMENT_SUMMARY             	overnight in the presence of pre-warmed CON or DHA-conjugated media before
TR:TREATMENT_SUMMARY             	harvest.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared one of three ways: as bulk extracts from ~1 million cells,
SP:SAMPLEPREP_SUMMARY            	or from fluorescence-assisted cell sorting (FACS) into either pooled fifty cells
SP:SAMPLEPREP_SUMMARY            	samples or singly-isolated cells. Full sample prep details are provided in the
SP:SAMPLEPREP_SUMMARY            	attached protocol.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	MWB_sampleprep_protocol.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	MWB_Lipidview_target_list.txt
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	NanoESI mass spectrometry of lipid extracts was performed using a hybrid triple
MS:MS_COMMENTS                   	quadrupole linear ion trap mass spectrometer (QTRAP® 5500, SCIEX, Framingham,
MS:MS_COMMENTS                   	MA, USA) equipped with an automated chip-based nanoelectrospray source (TriVersa
MS:MS_COMMENTS                   	Nanomate®, Advion Biosciences, NY, USA). Spray parameters were set at a gas
MS:MS_COMMENTS                   	pressure of 0.4 psi and a voltage of 1.2 kV. PC and SM data were acquired in
MS:MS_COMMENTS                   	positive ion mode using a precursor ion scan of m/z 184 at a scan rate of 200
MS:MS_COMMENTS                   	Da/s across a mass range of 640 – 850 m/z. Declustering potential was set at
MS:MS_COMMENTS                   	100 V, entrance potential at 10 V, collision energy at 47 V, and collision cell
MS:MS_COMMENTS                   	exit potential at 8V (31). Aspiration of 10 μl of sample from each well
MS:MS_COMMENTS                   	generated a stable spray time of ≥30 minutes. Lipids were identified from
MS:MS_COMMENTS                   	acquired data using Lipidview™ software (v1.2b, SCIEX, Framingham, MA, USA).
MS:MS_COMMENTS                   	Processing settings in Lipidview™ were set at a mass tolerance of 0.5 Da, with
MS:MS_COMMENTS                   	a minimum intensity of 0.1% and a minimum signal-to-noise ratio of 4. Smoothing
MS:MS_COMMENTS                   	and deisotoping of lipid species were enabled. Lipid species were identified
MS:MS_COMMENTS                   	from target lists (see attached protocol files), and peak area for each detected
MS:MS_COMMENTS                   	lipid species was then exported. These data underwent further processing in R,
MS:MS_COMMENTS                   	including background subtraction and relative quantification from internal
MS:MS_COMMENTS                   	standards. Lipid nomenclature follows recommendations for the level of molecular
MS:MS_COMMENTS                   	detail known (as per Liebisch et al. 2013 J Lipid Res); and in the present study
MS:MS_COMMENTS                   	we report lipids as class (e.g., PC or SM) followed by the total number of
MS:MS_COMMENTS                   	carbons and carbon-carbon double bonds present within the fatty acids separated
MS:MS_COMMENTS                   	by a colon (e.g., a PC with 34 carbons and 1 double bond as PC 34:1). At the
MS:MS_COMMENTS                   	level of identification available by the technique used in this study some
MS:MS_COMMENTS                   	ambiguity exists between isobaric PC species containing either odd-chain or
MS:MS_COMMENTS                   	ether-linked fatty acid species, and in the absence of further structural detail
MS:MS_COMMENTS                   	we chose to report such species as ether-linked only where overlap exists.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Area (cps)
MS_METABOLITE_DATA_START
Samples	C2C12-A01	C2C12-A02	C2C12-A03	C2C12-A07	C2C12-A08	C2C12-A09	C2C12-B01	C2C12-B02	C2C12-B03	C2C12-B07	C2C12-B08	C2C12-B09	C2C12-C01	C2C12-C02	C2C12-C03	C2C12-C07	C2C12-C08	C2C12-C09	C2C12-D01	C2C12-D02	C2C12-D03	C2C12-D07	C2C12-D08	C2C12-D09	C2C12-E01	C2C12-E02	C2C12-E03	C2C12-E07	C2C12-E08	C2C12-E09	C2C12-F01	C2C12-F02	C2C12-F03	C2C12-F07	C2C12-F08	C2C12-F09	C2C12-G01	C2C12-G02	C2C12-G03	C2C12-G07	C2C12-G08	C2C12-G09	C2C12-H01	C2C12-H02	C2C12-H03	C2C12-H06	C2C12-H07	C2C12-H08	C2C12-H09	C2C12-H10	C2C12-H11	C2C12-H12	HepG2-A01	HepG2-A02	HepG2-A03	HepG2-A07	HepG2-A08	HepG2-A09	HepG2-B01	HepG2-B02	HepG2-B03	HepG2-B07	HepG2-B08	HepG2-B09	HepG2-C01	HepG2-C02	HepG2-C03	HepG2-C07	HepG2-C08	HepG2-C09	HepG2-D01	HepG2-D02	HepG2-D03	HepG2-D07	HepG2-D08	HepG2-D09	HepG2-E01	HepG2-E02	HepG2-E03	HepG2-E07	HepG2-E08	HepG2-E09	HepG2-F01	HepG2-F02	HepG2-F03	HepG2-F07	HepG2-F08	HepG2-F09	HepG2-G01	HepG2-G02	HepG2-G03	HepG2-G07	HepG2-G08	HepG2-G09	HepG2-H01	HepG2-H02	HepG2-H03	HepG2-H06	HepG2-H07	HepG2-H08	HepG2-H09	HepG2-H10	HepG2-H11	HepG2-H12
Factors	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:bulk_extract | type:blank	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:CON | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:DHA | cell number:fifty_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:CON | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:DHA | cell number:single_cells | type:sample	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:single_cells | type:blank	Treatment:N/A | cell number:bulk_extract | type:blank	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:CON | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample	Treatment:DHA | cell number:bulk_extract | type:sample
IS PC 17:0/17:0	86152.7365	126179.8979	128643.0951	128426.3979	102681.4545	86611.0887	11321.0381	8730.7022	17403.5932	14912.2381	12340.3116	9804.5952	0	22485.5692	24243.8994	10612.278	16505.9387	20186.8822	19399.3243	18102.5538	21390.4062	12453.2451	10449.9535	12123.0022	31722.2361	24257.1039	8994.5209	13963.6696	12156.9132	9956.1306	23302.5902	21533.4417	20401.3556	15284.6071	9679.7077	14996.2649	15245.7669	25128.2996	25614.2939	16624.9187	16378.5621	13064.4999	22823.3317	26080.3038	27598.2321	6497.476	4040.8538	3925.5806	4330.415	14494.8146	17866.6666	5503.102	110394.6886	79472.7229	81498.0264	56499.6665	102175.4697	89385.7042	20264.2113	15749.2753	24366.9641	11016.0294	16212.7625	13203.0924	25961.0309	20963.0097	21301.5468	14210.5848	12772.2377	15243.8959	25405.005	26563.8695	16399.7669	13772.4275	17425.4305	12433.4008	18063.8926	19543.285	15735.7372	13502.3356	11129.6587	10813.1711	19118.8594	20563.9501	23545.3965	13452.5227	11903.8882	10184.5742	19748.1325	23891.9044	19519.4959	11281.5131	11106.2827	10478.6008	13366.2849	19777.3904	13384.8357	11943.7727	306.4228	285.4445	1595.2546	0	0	16463.7703
IS DHSM 12:0	54545.4432	75672.4353	76374.004	65986.8028	52536.4791	49424.0538	5776.6351	5479.4572	11237.3008	5776.8924	5315.239	4377.2949	0	11995.5179	12640.4382	4668.8196	9189.6165	8427.0418	9317.3598	9922.6843	9710.2839	5091.8825	5215.7652	4857.3207	14405.3785	13177.5398	5558.3914	6077.0203	5074.9502	4843.9891	13543.4512	14073.0827	11215.5129	6901.1454	5446.3529	6141.3098	7637.2012	13782.6195	14570.8416	7347.8586	7259.0886	7260.3337	12532.744	14998.6305	13069.0986	3573.8113	1095.9513	1581.9223	1315.6125	3780.752	5629.1086	1980.0797	69517.9283	57898.1574	49193.9741	29747.759	57906.25	50506.2251	9301.9936	8393.7998	13403.2528	4624.7682	10340.8865	5242.7789	11495.83	10321.5886	10523.2819	6751.992	5410.8566	6507.9645	11229.8307	12433.1424	7844.6215	5857.1708	8280.752	5358.0677	9523.0329	10979.7062	8188.0985	5718.999	5172.0821	4724.3832	8511.4542	10567.4801	11502.739	5967.8785	5210.5924	4590.2639	11493.5259	13556.1504	10412.4751	5180.5279	4483.7612	4330.5913	6097.5256	10174.0538	5844.3725	3898.1762	1491.2291	1219.6215	1532.3899	2128.2371	953.0627	5765.0647
PC 28:0	357.9596	672.4584	679.0105	630.3962	516.1322	523.6053	0	0	0	0	158.8628	0	0	0	0	0	0	0	0	0	0	0	0	0	247.3361	0	0	0	0	0	0	0	0	0	267.0763	0	0	0	0	0	0	0	0	618.6504	0	0	319.7614	441.4924	466.6991	0	1871.2649	940.9726	4318.5549	3422.7254	4646.9129	3829.0286	5564.5269	5032.7657	523.5433	466.5473	434.7226	371.9608	1085.1713	386.9083	418.0929	643.7998	461.1554	663.257	325.298	508.574	389.6549	325.6434	431.6788	1049.1604	0	882.9681	364.7903	793.0779	416.0637	591.8185	327.759	359.2825	314.5778	183.6892	797.1784	396.9041	445.7924	375.9399	0	0	350.2897	284.8167	287.1257	326.6402	70.8069	0	0	0	7267.9319	5863.9127	2950.5384	10312.5	2930.8794	9936.1374
PC 30:1	789.1916	1652.6603	2743.074	1287.1748	1095.2258	1278.7555	0	0	0	167.5761	271.2773	62.4207	0	0	0	0	0	0	0	0	0	344.799	118.9795	0	148.3855	162.5998	0	319.5336	0	67.4312	0	621.5545	262.3741	0	0	0	0	608.5512	176.657	0	156.973	293.7457	0	0	0	0	2101.3255	2088.1712	1473.9395	1331.9303	2006.8941	1410.9887	15260.522	12915.8569	16265.3761	7806.8359	12111.587	10480.5961	1681.2324	1177.7824	1484.0871	526.0882	1071.5994	991.1267	1617.6951	955.2063	1456.1348	1748.291	260.3132	807.6667	1377.8223	909.4163	1212.9809	1851.9056	1537.612	1456.1337	1404.2308	2221.2742	1009.6291	645.3311	714.7749	743.3809	795.8136	665.0067	2059.6114	712.5427	453.4282	868.3061	0	734.7964	1027.0602	784.4629	429.2956	399.0926	0	0	0	638.1445	21737.8297	18866.7742	7919.3834	22073.6601	7545.8636	23736.4003
PC 30:0	5353.676	9763.7762	11506.9887	13036.4747	10266.8268	9025.5271	922.381	485.1702	0	1250.6503	663.1373	872.2968	0	1442.7291	801.3234	832.9659	927.1791	826.2793	894.5344	1000.5777	1358.0013	1230.2985	1321.9968	906.8336	862.9363	1078.8074	575.8917	1276.9665	1083.1044	1074.8142	1042.5195	1646.5704	986.2793	890.8292	1274.0299	302.0899	1046.1902	1035.3001	1183.9918	1269.8496	1517.317	1061.24	0	0	0	690.0801	5669.5864	7014.1715	5799.4277	12099.3494	15130.2563	13363.3847	38246.0551	25467.5544	38016.0922	34296.327	51385.8332	52785.6076	3453.3158	2411.1232	3827.1237	2348.561	3937.9692	3189.617	2809.2409	3432.1853	2851.2112	3859.4319	2379.5745	3078.4415	2283.4153	3121.2166	3168.1854	5230.1281	3132.5614	4185.2508	3244.9465	4098.058	1826.9663	2990.2123	2602.6202	2601.6654	1884.3443	2484.2941	3140.7829	3601.0872	2844.0352	2955.5579	1665.465	3184.2132	2503.8443	2393.3914	1973.555	2096.3199	451.8101	1085.6574	611.5863	2885.5351	58580.576	51604.6483	21240.3648	92325.3447	30014.3577	100655.6791
PC 32:2	5013.6952	8715.6375	13159.1135	6323.4729	5317.0716	5110.6823	1245.5702	345.9968	2560.01	885.5827	529.9992	679.4723	0	1886.4542	499.78	649.2168	1354.7062	1146.4143	1057.1464	783.4529	1029.009	865.2207	543.4514	731.5737	492.4054	676.4193	842.3805	1311.9153	734.6608	425.3066	2023.9044	3097.6096	1714.3924	749.8755	742.962	550.6723	627.6145	1844.9158	1694.2231	1240.4133	1139.1932	1452.8137	1826.1952	0	338.8944	284.8277	8101.8117	9935.259	7386.581	8135.0609	10029.9054	7515.1977	39837.2759	29864.6663	40893.9243	14667.2062	21709.5369	19565.6125	3130.2831	3590.1648	3917.1743	1268.9565	2667.0817	1686.7224	4477.9131	3098.4811	3210.1594	3693.2271	1108.1723	1649.6439	2896.2898	2076.1952	2774.8944	3189.1185	3437.002	1707.0468	2867.6109	3646.649	3217.7405	1502.49	1333.1563	1705.5613	2067.8199	2096.5717	4453.0627	1646.2062	1559.8188	1801.6683	3371.6384	3129.2331	2276.1101	1493.5259	767.1881	1128.1408	296.241	1695.724	612.7988	3406.25	56562.5	47955.3038	21554.0339	43488.1723	14954.0588	52497.012
PC 32:1	30815.8616	53896.0408	70926.4193	51287.4751	43689.99	37018.446	7152.9024	1481.123	13256.5241	4124.1492	2493.1115	3153.6428	0	8069.7211	3886.0111	3024.7937	4522.6031	4009.0243	3967.3026	5837.068	4003.9234	4512.2913	4152.6975	2948.7473	2895.3294	4152.9643	5636.1725	6507.0233	4272.0913	2836.7634	6541.1406	11226.0912	6245.6383	3574.1155	4043.2105	1591.8825	2347.4316	8076.0389	6717.9286	4240.6879	5840.345	6495.0191	9877.6727	0	530.5061	1255.2229	44003.7351	52940.6125	42734.8108	53533.6155	66442.4801	59282.3705	173102.5245	129898.0329	182097.1116	121205.8018	174075.5727	159160.3586	12704.0742	11974.5508	17477.0324	7340.6096	12482.3145	11702.6318	14972.7399	16732.2386	12090.6884	17658.4495	9077.6892	9917.1202	7632.9748	11343.6275	14020.3594	16908.989	11487.0584	10031.4024	15896.4143	14496.6423	10546.4392	11673.4313	9417.3702	10331.8336	9123.2489	11461.1427	12526.9961	13324.9502	10109.0637	10520.6673	11250.7799	16322.8337	11648.3979	8429.9054	6248.019	6983.5112	1319.521	3941.6054	2058.8759	13189.243	272559.8631	255178.7849	100408.5215	342540.8367	116242.4054	381570.5926
PC 32:0	18686.1711	36889.227	37938.3974	40040.4988	35935.5072	30181.3973	2574.0815	1487.7918	1784.7036	2854.3631	1724.6266	2677.3979	0	4662.7616	2980.1371	2360.0698	3369.1158	2531.579	3391.3724	3687.4086	2970.405	3565.3777	3200.3156	2347.5459	3348.0518	3579.303	3147.5124	3909.9458	3026.9371	2397.7014	1721.0339	4651.6694	2659.5919	2232.3104	3556.5682	436.336	2804.1572	2583.8869	3114.0205	2756.2045	3900.5835	1755.8934	0	833.9791	296.6937	353.8422	17182.8236	20736.9391	18033.1971	32392.2644	42627.1756	41274.171	33860.0901	25568.3225	39180.602	34744.1498	46954.284	45446.3392	2527.1887	2233.2567	3932.6763	2610.5757	3307.2378	2432.039	4341.3396	4794.6119	3049.85	5894.1	3590.2482	2815.746	1786.341	2857.0823	3803.4465	3948.8071	2661.7814	3000.5325	3235.5009	2634.3868	2001.4508	2908.1221	3102.4347	2502.1478	2213.9274	3280.9981	2409.5019	4014.5672	2468.3383	2664.8529	0	3963.4393	2060.2532	2762.5135	2192.4973	2992.2471	389.1479	0	736.1472	2782.387	58464.2888	53077.9675	22706.6906	84425.3056	27423.2366	97651.7048
PC 34:4	365.9846	458.6436	678.1467	444.9857	450.1685	487.1467	0	0	0	0	0	0	0	0	0	192.9533	0	0	163.5956	0	0	0	208.5408	0	0	0	0	0	0	0	0	0	0	0	0	294.6962	0	0	0	0	0	0	0	0	213.6454	0	402.2623	706.4243	463.6454	0	0	625	3534.5019	2377.3655	3907.744	1001.5844	1522.2859	1078.7572	417.9188	527.3904	596.489	142.1058	0	0	689.1421	433.7649	0	591.509	223.4661	260.1521	292.0817	441.4841	366.2403	0	609.5618	0	595.493	604.8307	548.5785	0	302.9575	0	377.739	484.4373	335.7819	304.2264	272.1712	253.8139	0	0	228.475	249.303	204.267	151.4148	0	0	0	0	5602.4651	4676.1703	2190.239	2923.9293	1204.1833	4083.9143
PC 34:3	1498.4739	2893.3262	3968.5524	1806.5239	1562.1359	1438.075	0	402.2659	0	423.1823	427.9133	632.0966	0	0	407.6195	216.2362	0	600.9711	312.5458	0	398.866	568.7251	540.2141	351.3806	231.3247	0	0	554.4836	489.6663	329.9303	863.6703	1412.3506	854.4572	362.6743	358.3167	379.8531	0	694.7211	607.9432	0	382.4701	534.3625	0	0	0	0	2974.8403	3134.8596	2322.1165	2122.261	2705.6773	2089.7164	26522.1614	18994.0239	25207.773	7682.3954	10100.9483	9753.8596	1794.4472	2374.758	2510.6057	743.4087	1121.3894	890.0932	2982.6931	1480.5777	1876.245	2146.5388	788.0607	969.4407	1440.2259	1979.9552	2171.7068	1571.9622	2134.3376	834.6614	1610.5507	2294.6396	2307.2239	897.0369	1014.4342	985.8398	1302.2908	1743.5315	1447.8815	755.4949	974.6508	854.8307	1851.2201	1923.9293	1294.6321	846.1155	726.1998	783.989	325.0826	0	0	1370.6424	43665.3386	36366.2849	16785.8566	25449.9502	8788.0288	29436.6285
PC 34:2	18813.6205	35235.5578	44996.5139	29384.3376	25893.7559	24138.4462	1913.2528	829.2284	3125	2485.9915	1487.4616	1784.7346	0	1533.74	1576.1048	2876.1137	2998.506	2416.4036	2734.6863	1662.9731	2536.2761	2912.8633	2726.9895	2209.1654	1257.8929	1678.0823	810.757	3444.3501	2552.8622	2248.126	5014.2935	12223.4811	6626.3695	2928.1624	2679.1584	1238.2151	1016.5588	5888.2533	5459.7163	2825.8728	3238.7131	2229.8307	0	1248.1325	314.6471	549.2299	32346.9871	41402.8884	30095.8665	29337.8984	37657.8685	34860.8068	121689.1185	84133.0926	109801.7598	55517.0568	76549.3028	72308.2669	9413.2221	9307.402	10382.214	4255.8822	5196.8376	5179.273	9035.8941	12628.3022	8246.9898	9828.6865	5008.102	5117.6626	5538.9086	6884.4352	9862.3008	7256.4741	5950.7795	5131.4741	8272.6588	8732.0208	6352.5048	6008.8396	5037.3506	4795.6279	7728.4413	6730.1118	9012.285	6419.1205	4576.2603	4644.3971	4024.6514	9386.3848	8704.6813	3384.2993	2964.5853	4106.6778	823.8107	1375.3735	1414.1662	6919.1982	185419.3388	158280.9943	66023.6276	172612.1763	59619.8954	191097.1116
PC 34:1	40543.2946	73446.762	89360.8219	84614.5319	76568.6127	67646.3659	4446.5995	2362.871	6831.1923	6075.4524	3876.6006	5222.8847	0	5062.7833	4450.1372	6820.398	5645.172	6927.5727	6104.1788	5151.8336	4857.2453	7559.1159	6951.6069	5014.9987	4661.2753	5741.761	3830.4283	10254.6556	6010.6884	5445.2099	8694.4113	18890.9091	9020.2068	5453.65	5794.4084	1217.5607	2670.7311	10426.1924	9563.3928	7250.8085	9165.6838	5243.9288	1428.0378	1975.6107	752.8557	1209.3584	58927.5843	69604.558	56405.8858	82698.6623	102444.006	100331.7772	126671.6237	82662.5578	124734.9122	97135.4568	140496.2298	130275.9626	9366.0108	8396.3529	11699.2657	6823.0132	8231.0897	9400.0257	7398.6901	19488.4926	10692.2723	12523.5497	9705.4792	7616.6263	6261.8708	9007.1167	10324.5221	9464.6246	6308.1072	8110.784	12799.4305	9662.432	4859.0815	11792.4289	7674.2122	7714.7017	8240.2293	8087.3054	7680.2733	10587.8041	6094.4985	6873.8935	4068.0625	14373.8321	11601.7531	5450.9333	8127.739	7297.8671	1121.1936	1671.7615	1813.4995	8855.1622	223612.744	192704.554	81157.9818	294158.9257	101851.9042	325529.9098
PC 34:0	86152.7365	126179.8979	128643.0951	128426.3979	102681.4545	86611.0887	11321.0381	8730.7022	17403.5932	14912.2381	12340.3116	9804.5952	0	22485.5692	24243.8994	10612.278	16505.9387	20186.8822	19399.3243	18102.5538	21390.4062	12453.2451	10449.9535	12123.0022	31722.2361	24257.1039	8994.5209	13963.6696	12156.9132	9956.1306	23302.5902	21533.4417	20401.3556	15284.6071	9679.7077	14996.2649	15245.7669	25128.2996	25614.2939	16624.9187	16378.5621	13064.4999	22823.3317	26080.3038	27598.2321	6497.476	4040.8538	3925.5806	4330.415	14494.8146	17866.6666	5503.102	110394.6886	79472.7229	81498.0264	56499.6665	102175.4697	89385.7042	20264.2113	15749.2753	24366.9641	11016.0294	16212.7625	13203.0924	25961.0309	20963.0097	21301.5468	14210.5848	12772.2377	15243.8959	25405.005	26563.8695	16399.7669	13772.4275	17425.4305	12433.4008	18063.8926	19543.285	15735.7372	13502.3356	11129.6587	10813.1711	19118.8594	20563.9501	23545.3965	13452.5227	11903.8882	10184.5742	19748.1325	23891.9044	19519.4959	11281.5131	11106.2827	10478.6008	13366.2849	19777.3904	13384.8357	11943.7727	306.4228	285.4445	1595.2546	0	0	16463.7703
PC 33:1	12637.4464	25755.3536	30990.7869	16618.6844	14863.1643	13737.6743	2497.2286	1010.9562	6856.4616	1347.3183	782.7347	1180.7769	0	2654.6735	892.4202	1135.6309	1874.4571	1693.7266	1910.9876	2004.3396	1775.9139	1768.4773	1363.3994	1401.3206	2213.3588	1998.3884	2912.3187	2480.3224	947.7817	1132.0972	2011.2572	4017.1803	2340.8814	1042.0817	1713.8944	555.4034	959.6474	4017.5548	3152.8884	1554.5001	2065.6121	2568.8594	3369.6307	0	0	0	19151.2699	20745.1617	16977.4963	19471.427	24109.5066	19449.4478	4517.3071	3560.2749	5755.2291	3538.3818	5367.8696	4785.0565	640.1582	548.6803	730.1789	345.8746	2091.2997	780.5112	525.2456	881.3588	857.722	1120.2373	457.2911	634.1347	373.7849	733.7408	542.9086	723.3424	1090.7453	552.4225	577.6892	1924.5482	472.3684	776.1242	357.3367	0	435.0383	712.5249	477.2811	563.1387	413.2682	570.7171	4010.2471	880.9123	475.8264	287.548	380.4381	424.8544	151.6914	1706.3822	0	1793.2467	8564.4738	7617.6873	4052.0538	12687.002	3412.7538	17680.9299
PC 33:0	2922.7056	5341.509	6907.8934	3666.958	3223.1386	3023.7284	1053.0865	609.6845	1933.3058	354.0015	316.1491	454.202	0	1321.2849	392.5351	320.9104	1250.996	588.4499	533.9905	956.8376	491.0245	460.299	552.9133	229.6351	400.8498	431.4395	0	1777.903	0	285.5147	1480.4532	2501.1205	716.1738	474.7261	500.9171	261.5787	0	952.2518	1049.1863	660.898	888.904	520.5481	0	0	0	0	4316.8576	5051.1812	4657.8685	9319.7211	11826.0707	4622.3855	2097.1228	1565.4673	1848.5665	1164.5074	1809.5445	1477.5896	166.2529	525.0249	394.5144	230.2006	1671.3147	373.1325	575.6972	650.1494	711.6534	0	288.7823	113.2234	187.3755	0	428.0378	374.751	2029.756	537.8486	295.9534	1585.4639	288.4785	522.6888	207.3315	73.273	400.2	0	626.245	357.5772	174.5018	291.2554	1516.4679	0	424.0079	270.4316	0	149.4932	73.8525	2167.3307	0	4022.7469	3306.3351	3016.298	2600.5976	3687.0632	1366.9121	12946.2151
PC O-36:5	434.512	1050.9213	1156.6235	1240.1643	1400.0249	776.8924	0	0	0	0	0	0	0	0	140.3137	110.1843	0	0	145.8171	0	0	413.2306	0	0	0	0	122.7463	513.6848	0	225.4838	0	0	0	358.4894	260.2531	0	0	0	0	425.1743	0	418.9916	0	0	0	0	635.4628	632.6235	790.4204	1937.7502	1997.0944	1432.6225	322.5847	260.7072	291.0857	415.9612	505.2291	454.1833	151.4393	0	0	104.4572	0	0	0	0	0	0	0	96.5892	0	293.9339	0	0	0	0	0	0	0	0	0	0	0	0	0	180.9158	0	0	0	0	0	0	85.4084	0	0	0	0	0	356.8687	0	0	191.384	111.7767	0
PC O-36:4	1044.4919	1687.1871	2010.9224	1639.4883	1503.4422	1021.0528	77.7829	0	0	0	172.6579	0	0	0	195.9661	132.4018	0	0	328.669	486.4293	277.0169	234.9027	0	0	224.9751	478.5857	428.8877	520.5428	0	0	0	0	0	0	314.8655	0	0	282.1215	0	0	0	0	0	0	0	0	1274.9275	1405.785	1203.4203	1972.262	3104.2082	2087.6157	644.7958	468.1275	683.0628	230.8304	356.4492	472.3606	133.8483	0	0	0	0	135.9562	0	0	0	0	0	0	0	0	0	0	0	0	198.2072	0	0	0	176.0458	0	0	0	0	0	0	0	0	0	0	117.2809	83.3031	171.8498	0	0	0	0	731.9662	905.6275	0	874.0259	273.7419	0
PC O-36:3	1207.0706	2341.4292	2866.7155	1725.8263	1734.0372	1338.4323	0	0	0	604.8307	0	240.4133	0	0	202.1374	137.1213	0	0	0	0	307.6444	299.6446	0	265.9363	0	0	0	260.5827	0	251.1548	0	0	525.7607	0	300.5478	0	0	421.6882	682.6444	0	358.9392	0	0	0	266.4343	0	1576.881	2232.5843	1888.3811	1687.7142	2857.1962	2282.5235	1969.58	1236.3475	1844.604	1124.6216	1336.9024	1283.989	96.8387	0	0	181.8974	0	338.2719	0	478.9592	0	0	221.0435	12.8229	0	322.3357	287.4321	451.9422	0	0	322.7526	0	312.8334	478.8347	0	206.1753	0	388.9442	421.5637	0	0	319.9701	0	459.7859	0	146.3144	0	0	113.9193	0	0	0	2650.3393	2764.0687	1443.6006	3053.8408	1009.6924	4172.0618
PC O-36:2	3998.3623	8052.7888	8481.8162	5965.6375	4758.5083	4053.6335	0	0	0	363.1502	0	0	0	810.3835	317.9157	574.9502	0	0	565.4116	0	429.5537	801.3962	0	485.555	621.9847	575.1992	0	714.3078	0	200.0747	0	1580.4283	731.2875	580.4283	556.7729	0	588.6454	929.6594	1203.0627	426.2015	969.3725	0	0	0	0	0	4897.3874	6340.8506	5337.0996	5545.7349	8425.0498	6409.3625	2777.4879	1921.8799	2561.447	1742.6915	2483.448	2226.9653	382.2515	476.4691	0	33.7377	0	570.7543	0	603.7041	472.4851	0	0	265.1969	329.4323	0	384.6319	435.8815	0	374.004	0	328.6853	223.5085	547.4918	0	0	558.5159	0	453.9343	0	244.9893	0	0	750.249	456.9223	372.1365	273.3725	0	0	0	0	631.4741	4764.2794	4188.6415	2084.792	5117.6033	1873.1282	7532.993
PC O-36:1	2504.16	4596.2748	4862.1869	2702.4538	2770.3327	2402.9538	417.5746	416.7082	1850.4731	453.2426	288.6901	510.8317	0	1164.9651	236.1528	414.5487	0	510.3769	463.0717	746.1062	663.0465	417.3727	274.9431	502.9074	642.3223	509.8632	402.0825	384.3729	0	433.2561	682.8934	1028.9276	608.8245	0	440.5682	242.9034	0	1188.173	681.67	342.7257	397.098	0	0	555.7769	207.0468	0	2828.2524	3825.6466	2883.5837	3490.7496	3938.9519	3359.5259	1671.7427	1030.5509	1549.5551	1520.7067	1809.2231	1780.077	246.3999	0	0	156.1295	0	0	0	600.0397	0	0	50.0726	223.9025	0	433.8575	471.2976	474.1179	0	0	147.2859	0	157.6074	0	0	203.8098	266.5961	0	313.3715	186.1449	364.4762	382.3456	0	609.7583	318.8363	0	113.6167	270.613	0	0	0	0	3005.0049	2595.1738	647.3065	3699.6074	1309.8681	4627.4302
PC O-36:0	700.4426	824.8262	1388.8489	736.4696	730.5737	545.5652	489.0665	0	0	0	0	0	0	557.1464	0	200.0531	0	0	0	260.7715	0	369.2028	0	0	57.0234	316.7331	0	706.2674	327.5647	287.1862	0	1066.3596	0	0	285.6786	0	0	531.8725	0	0	465.313	0	0	0	145.217	0	728.7784	583.6414	731.6911	3475.7534	3646.2186	941.8325	606.6575	460.6043	607.4889	777.035	921.5094	767.6976	45.5454	0	0	0	906.499	0	0	446.3396	0	0	125.3575	388.7988	0	255.8579	321.6254	0	815.6125	0	0	625.5392	270.1245	0	0	0	0	0	0	360.2267	0	117.7778	0	0	262.2192	0	0	183.9424	66.3332	1660.6076	264.0687	1717.4824	830.7505	978.6344	0	1330.7348	487.4276	6487.7248
PC 36:5	1126.5198	1754.0745	2265.6556	4675.7029	3942.0174	3412.8207	0	0	0	539.5165	301.595	431.7317	0	0	275.4966	368.1184	0	0	212.7527	0	391.5175	831.1034	904.8805	646.8669	0	632.9681	0	814.0686	667.9686	245.7118	0	0	469.6345	734.5618	703.9614	237.1763	0	261.5787	0	480.5336	671.3465	0	0	420.1942	0	0	1418.567	1421.249	1557.8934	5222.7878	6787.7567	4475.9632	3115.2422	2143.6036	3072.5567	3162.6096	5011.3812	6135.0847	434.3799	587.8984	0	472.0595	0	687.1492	328.399	308.2083	0	683.8894	552.4919	290.1629	561.5097	287.8817	492.1234	629.8148	0	529.3406	251.0778	333.069	2528.6706	856.3637	388.0449	446.4317	0	631.4387	145.1183	419.3039	825.2072	281.4289	0	552.9133	490.3549	360.9133	379.4199	404.8504	95.3524	0	378.9841	780.5991	4641.7602	4387.0763	1747.4852	7227.6977	2425.8819	7358.2364
PC 36:4	3327.2413	6795.9412	6950.9241	6601.5883	4865.8622	4405.5346	842.7513	0	0	781.7619	429.02	650.8487	0	0	415.3622	434.4119	889.8157	497.367	706.6781	630.9603	690.4162	496.9605	621.9288	596.489	471.3294	941.166	545.9412	836.8087	663.3839	487.3536	1309.512	1280.254	827.8137	575.0235	508.6187	0	0	609.1882	989.4173	537.4545	755.9273	438.496	0	739.9153	0	253.284	4565.488	4606.206	3986.6666	6286.5204	7556.8565	6282.9675	19701.6932	13334.6614	18758.2171	7648.7866	11020.762	9538.672	1345.9206	1912.5067	2502.241	703.4587	1305.0299	777.011	2393.6598	1417.1339	1979.4572	1564.8706	1363.0478	1043.7873	1462.7503	1483.8495	2526.3944	1173.9853	2116.3806	1006.3915	1615.9013	1838.1494	2697.4448	1541.9157	944.2993	742.9594	836.4044	1250.498	1000.747	855.9509	987.8611	788.7638	1287.4751	1749.3775	1611.6783	711.2183	579.6891	675.1234	266.1728	0	317.4147	1686.7177	33955.9263	27793.5757	12830.6773	24016.6248	8666.0048	30860.5578
PC 36:3	4383.4347	7994.6913	10229.389	6159.305	5207.2248	5030.2701	541.1471	0	0	804.502	742.6891	465.3406	0	0	680.7073	828.5691	1020.2878	797.4289	589.2899	761.6874	909.0764	947.1071	728.5398	656.9746	425.2453	816.5397	0	626.6846	770.819	671.6657	1231.8308	3466.6335	1911.2818	863.4787	852.7964	370.8165	0	1170.2556	1209.6109	858.7422	1123.5048	836.2088	0	747.1365	0	342.4327	7957.4073	8455.36	7299.8929	5715.1138	7794.5728	6939.1044	43041.3763	28302.3684	42540.7867	22832.0468	25918.1767	24085.521	4052.4153	3590.4167	4249.1139	1207.7518	2170.468	1582.6339	3801.6056	4144.7294	3463.2655	5208.9304	2423.8686	1916.7738	2144.8861	5423.9293	5066.1106	2050.8559	3080.3038	1571.0961	4652.1927	3191.3114	3053.6559	2372.2378	2092.505	1996.927	2377.3578	3226.4852	2224.338	1909.104	1983.5241	1694.5096	1269.2417	5389.8157	3330.1902	1363.8849	1201.7394	1630.7679	356.0457	0	741.7882	2611.525	86607.2585	71223.8074	30130.6429	63347.0282	22688.9358	72467.868
PC 36:2	20215.0606	41662.9731	47538.4286	45317.3556	38699.3631	37794.3227	1427.2576	894.6713	3287.5996	4173.7684	1816.2925	2450.0747	0	1787.9731	1377.1747	5115.1275	4431.6484	3905.7959	2866.2086	1993.817	2249.1285	4192.0191	4815.1145	2247.7392	1807.9387	1755.9811	986.6783	5769.768	3421.2911	3002.9639	5099.928	14395.1693	7684.6365	3697.2112	3339.0745	662.5028	907.993	5639.7503	6355.0985	5059.3875	5325.4482	2447.0932	0	1146.2454	134.8357	436.6008	38759.0886	42028.9955	36732.4452	46355.3287	58798.0578	56256.1006	61106.9372	38763.2886	58965.9694	35623.315	47860.6939	48276.9371	4987.364	4498.3741	4991.4453	2011.9139	2967.0662	4184.8855	3685.4867	11969.8894	5303.5786	5877.0917	4287.3635	2882.7829	2621.9289	4040.9177	5515.8267	3743.6253	2850.4924	3844.0505	5042.7567	5382.2298	2197.8205	5042.2119	2810.0777	2909.5794	4680.7258	3194.4018	4786.7017	5058.1659	2441.2859	2229.0143	2104.1864	6930.4464	6588.5342	1652.7325	2093.7313	2464.0776	644.4315	822.6879	1204.4916	4350.7281	115098.1418	100957.1782	42091.4301	121514.1345	40351.8475	135897.0545
PC 36:1	11489.8487	19228.433	22069.0222	22785.3282	19783.4284	17088.0609	679.2248	613.0971	2368.0971	2180.1387	1095.3029	1465.1758	0	2184.7521	1071.8645	1547.2426	1623.7538	2280.9553	2251.9636	1986.7116	939.8915	2500.7974	2307.8441	1283.4838	1716.258	3664.9651	1243.5946	2540.0411	1674.1916	1943.9982	2379.5671	2844.682	2146.2625	1305.4907	1331.7802	0	763.4603	1929.3807	3004.2454	1972.4816	2657.1682	1117.2184	0	697.0262	0	0	11820.0334	15843.2724	12238.3757	19959.5661	24972.3923	24032.737	5488.3532	4786.8342	6059.3991	5656.7598	8411.5868	6891.3769	512.4086	406.7783	945.4509	454.9641	0	640.5873	599.5519	1016.7594	793.6561	500.0411	759.5858	672.2652	565.0496	739.4277	808.3487	694.6255	702.2562	680.2643	900.217	866.652	329.7301	1180.5183	489.3826	538.2505	979.4256	633.2553	582.7112	609.9397	649.4709	580.226	0	818.6554	802.9201	559.0577	361.7377	465.1194	214.4616	0	0	0	9316.5977	9258.6092	3735.1217	12589.5176	3623.6386	13913.1168
PC 36:0	695.2777	639.9765	609.8921	2336.0474	2602.4884	1879.4091	609.3882	0	0	0	52.7663	0	0	0	138.3503	246.038	0	0	262.0444	0	0	324.3656	614.3051	335.0658	255.1284	0	0	0	446.3509	0	0	0	0	0	539.6958	313.1225	0	0	361.1684	0	0	0	0	0	145.4183	0	639.8227	686.9971	0	3662.5827	4611.3504	2987.9613	498.6262	535.2615	679.8537	594.4945	737.9227	848.0594	201.7587	0	0	160.3408	0	0	439.6696	416.9149	0	0	300.3559	0	0	575.2496	291.3722	0	0	0	0	0	0	0	0	0	273.087	0	338.3471	0	123.1687	84.1555	0	0	212.5131	0	0	0	164.1172	0	0	0	2653.2311	1013.6566	0	4419.936	752.3857	0
PC O-38:6	1211.8755	1299.1705	1633.3825	12642.6231	13092.3805	9334.0435	370.4228	0	0	1035.9811	1070.7864	1055.4034	0	0	0	900.7997	0	1633.2946	412.338	373.324	0	1077.3967	1066.6419	568.3827	219.6039	0	0	3080.3038	1002.2347	418.9665	1010.1258	835.359	0	1392.1428	991.8086	0	0	0	0	1159.8862	1199.5707	240.82	0	0	0	0	1344.9315	1333.1622	1297.7267	16995.2689	21752.241	17117.5299	78.6839	0	35.3715	379.9295	646.035	772.7726	51.7595	0	0	0	1055.9014	0	0	0	0	0	0	72.8337	0	0	260.4461	0	0	461.1554	0	0	0	0	0	0	0	0	0	258.1227	0	190.0159	0	0	0	0	0	0	74.4522	0	0	0	754.2933	637.0267	2000.7185	2153.9105	445.5518	3392.173
PC O-38:5	1614.6789	2466.2663	3014.0538	2515.9846	1892.9698	1725.4616	554.8795	0	2025.3984	189.2655	0	0	0	1027.1414	379.6681	0	0	0	134.8357	613.372	301.5423	335.1231	0	0	234.9653	500.747	0	843.8255	0	0	635.2682	0	420.6764	401.7679	261.0219	0	0	428.4114	577.0667	0	0	0	0	378.3616	0	0	2158.8194	2611.957	2139.6487	5614.0397	7432.3843	2887.6368	414.8015	381.1629	580.7613	530.0044	0	612.9233	133.3703	0	0	164.8574	919.5717	0	0	0	0	0	0	0	209.4124	632.1299	180.0802	0	518.4263	379.6066	245.6408	0	0	0	0	0	0	0	0	188.5252	0	0	0	0	339.1113	0	0	0	101.031	2242.1564	0	2501.284	550.0594	771.4375	0	701.0456	280.9209	6894.346
PC O-38:4	1054.7628	1953.7401	2256.5346	1827.0805	1692.6498	1416.5652	445.8608	0	2232.5697	474.9751	385.2781	0	0	804.7809	243.9323	373.7767	0	623.8832	559.1532	601.3341	419.1524	280.9163	257.6965	296.3955	153.7755	799.3028	0	595.873	733.8147	344.5645	1276.5897	0	511.5446	577.3157	335.9526	0	0	647.3364	677.6643	675.0223	408.88	0	0	885.8317	0	0	1849.3212	1786.3061	1508.7433	2445.9079	3293.1928	2451.2283	1425.6106	858.5657	1328.8312	841.1466	1193.3516	1063.1225	304.7388	720.8665	467.754	138.2256	864.6663	534.8606	1333.6653	508.7151	1306.8974	514.3177	248.2451	350.6799	273.6554	114.0029	407.6195	693.8496	0	767.0568	578.0627	822.5847	375.1245	0	307.5108	287.1742	259.6561	667.0817	324.3614	356.1937	282.1215	146.1653	1536.1056	0	612.6359	0	0	0	136.5787	0	766.0758	0	2350.3722	1883.7973	1110.1843	2052.1859	713.4399	3465.8507
PC O-38:3	1054.8238	2393.2674	2768.3837	1680.8021	1836.9024	1071.6485	2096.6939	0	2488.4989	0	0	0	0	942.8823	0	274.305	1687.9144	0	0	522.9648	284.2237	323.0525	0	0	0	530.3785	1041.3347	186.3703	0	0	0	0	0	0	226.6291	0	0	180.4034	0	0	650.5725	1567.9947	2263.0727	0	0	0	800.1882	864.9485	1060.6614	1162.2739	0	1379.7183	2413.3433	2337.5527	3333.2258	2537.4647	822.0854	2026.36	215.9642	0	0	87.4361	2284.5984	0	0	0	0	460.4084	0	117.1907	0	0	355.2042	391.484	0	0	253.4817	910.8263	36.7967	0	0	0	0	0	0	0	0	0	3237.9521	0	0	0	0	0	0	2139.0235	0	0	1692.2707	1639.2545	987.9233	1984.1522	577.4402	1844.6398
PC O-38:2	828.5498	1555.1876	2030.0694	1178.3576	1127.6454	618.4295	0	0	0	264.8157	0	0	0	0	212.8984	144.6068	0	0	0	0	0	247.2755	0	0	234.3127	0	0	0	0	143.8565	0	0	0	0	224.4086	0	0	0	334.6614	0	0	0	0	0	0	0	1110.926	1091.0795	1126.9626	0	0	1219.9512	1013.8243	1105.9531	1190.0124	1267.2469	436.3141	876.6201	119.0674	0	0	275.8071	0	0	0	0	0	0	253.3329	0	0	0	385.1989	0	0	0	125.8583	0	94.0733	0	0	0	0	0	0	0	0	259.7112	0	0	0	0	0	0	35.0872	0	0	0	802.9444	1179.6417	0	1293.4941	392.7609	0
PC O-38:1	977.0055	1187.4013	1511.1037	920.5092	604.2389	641.9605	0	0	0	0	0	276.1765	0	0	0	0	0	0	45.073	0	0	3.6778	0	0	0	0	0	0	0	0	0	0	0	0	243.1957	0	0	0	339.1339	0	0	0	0	0	0	141.5001	969.0264	1485.0852	696.5821	0	1781.499	1244.9227	419.9539	289.6542	536.568	149.7091	340.381	200.4848	0	0	0	55.052	0	249.6095	0	0	0	0	0	102.0477	0	0	288.1687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109.4373	0	192.2526	0	0	0	0	0	609.9939	381.211	0	860.7796	264.0832	0
PC 38:7	515.6873	838.9909	1087.9342	9121.7629	7901.2699	6451.4442	0	0	0	634.2131	298.0578	680.2324	0	0	0	453.8145	0	694.4721	177.1357	0	0	1300.4233	1065.7371	506.2251	0	0	0	809.4798	1001.7913	550.8522	0	0	0	858.6902	1138.9442	227.7141	0	0	0	902.0169	864.9153	0	0	0	0	0	469.5648	909.2391	551.2627	8931.0259	11594.995	10055.9014	2119.8954	1114.4846	1842.6805	4502.988	7546.6882	6945.7171	211.973	0	0	394.4223	0	915.2141	0	527.6394	0	779.1335	387.6992	645.5428	370.6424	380.9761	132.5216	1312.8735	0	880.2291	0	0	225.0996	1016.5588	461.4093	546.6458	123.1325	412.4751	203.1873	509.9602	832.5448	401.4065	0	0	0	635.4582	442.4801	293.9492	0	0	0	602.7141	1612.3615	2297.8088	750.996	10819.8456	3358.6902	13076.8177
PC 38:6	1267.8424	2631.8574	2929.7936	53935.6325	40379.3831	34261.7032	0	0	0	2313.1475	2158.1864	2280.0077	0	757.7191	390.3137	2149.3084	2537.7241	3066.7121	179.6571	622.3855	204.9225	4319.3937	3936.6708	2224.659	0	504.7311	0	5338.2689	3459.1714	2271.422	797.9333	834.2878	541.3347	3087.0405	3365.3629	0	0	426.4193	695.2191	3326.7689	3299.9793	1973.9272	0	591.1355	0	382.7166	2555.9014	2409.4899	2238.9429	41608.4412	56036.9771	50272.5349	4795.3481	3869.4298	5114.6663	24942.1698	44509.2131	39619.8954	466.5669	622.6345	898.0329	1640.1892	3564.307	3215.2111	615.9226	789.2531	1085.6574	2613.5014	3019.5909	2446.6436	433.1518	877.696	883.4661	3717.007	1078.4092	2788.7789	556.7787	593.5721	491.6584	4430.4034	1714.679	2027.0343	235.4867	847.6296	539.8406	1927.0921	2978.0811	1968.9155	0	844.3725	388.2842	2420.2734	2154.8281	1835.4345	202.2379	0	607.0717	2185.6406	9353.4612	6951.8211	3411.3323	62319.9701	18124.1285	66325.1992
PC 38:5	3030.4162	5119.9162	6758.9556	6432.4656	5743.0824	4923.0328	520.3691	0	0	526.9669	317.3626	294.6759	0	914.2181	573.6262	432.9873	0	899.4408	649.3928	1161.6036	464.7352	1060.6612	1237.4694	497.3407	617.8206	1123.8795	670.4432	875.3994	565.1016	588.0264	1032.2543	1568.3516	917.6492	582.2852	817.4043	0	588.6454	902.7043	1245.3934	522.1876	734.0393	424.5907	0	764.0687	361.9273	197.7738	3933.5944	4726.3831	4975.4731	6612.1635	7797.2919	7028.5379	7099.8709	5086.0936	6224.4184	2549.2754	3328.5004	2990.0399	739.7572	755.4098	907.0297	256.2542	0	431.9769	1167.3553	866.4485	928.7849	652.4866	404.0963	304.7639	303.7461	880.4363	947.729	348.4708	0	737.1092	929.6649	1080.1228	502.4838	1041.1262	19.0794	205.4504	411.0102	1002.5758	592.9518	474.8861	525.6305	336.9801	0	1132.4153	930.3567	361.3074	467.1639	414.2821	109.7016	0	0	593.1755	11242.7355	9393.6571	4312.4491	6759.1851	2567.7662	9146.6289
PC 38:4	3566.476	6606.8874	7396.3958	6119.8445	5162.4164	5130.5216	281.8487	510.3337	0	581.6834	490.0221	512.2884	0	0	467.7299	777.7371	738.7948	767.0441	858.9977	1039.9417	369.2177	838.5349	570.3978	454.9256	417.5074	704.7811	608.7384	899.7193	910.8098	778.262	1084.4681	1231.1552	704.0735	537.09	760.3469	0	0	550.4938	633.3261	638.1619	848.4031	0	0	0	0	0	4529.543	5429.153	5111.5937	6452.8212	8358.0628	6836.067	18120.6424	11393.8978	17717.8785	6531.1194	8923.7498	8214.0756	1064.8283	1524.0518	1584.1234	207.6358	799.1783	455.5628	1557.3012	1333.8028	1528.5182	1925.655	1235.4937	729.0846	711.1709	1998.008	2145.0264	854.7701	1496.2649	457.8917	1688.6311	1636.7192	834.4124	1365.7869	428.3388	677.2136	714.9889	1601.6592	708.7206	545.4053	885.3029	725.4128	0	1793.2275	1068.031	466.7349	538.6353	608.3167	144.8415	0	503.6726	785.4647	30175.5795	30237.5498	10950.3058	21071.7918	8847.1116	24121.3861
PC 38:3	2354.688	4217.1987	5588.6878	3246.358	2973.1205	3080.4045	0	398.0329	0	483.0203	415.4017	211.0473	0	787.3506	330.0962	450.5688	0	255.0103	397.0022	550.0348	231.3726	437.6943	354.1457	267.1754	396.7878	396.617	0	420.9769	451.7654	89.9168	0	0	625.2093	0	470.8544	0	0	542.1838	666.2331	511.5701	494.4681	0	0	0	0	0	3193.3488	3752.9637	3204.614	3640.3049	4523.3565	3574.5065	10129.3108	7657.7494	10593.7334	4998.6538	6680.9518	6176.6823	771.1612	647.5666	1034.2034	301.6099	853.4612	594.7319	894.7704	1033.0585	1171.2389	1427.4506	814.4073	482.1463	711.0329	778.1212	1306.4755	399.8674	845.8092	435.5581	1239.6645	1310.3267	363.212	413.8469	158.9318	387.5463	595.2056	640.1519	500.686	578.0565	474.3702	521.532	0	1043.8465	1099.7625	213.7219	312.8028	495.4678	148.6749	0	0	790.0192	19083.046	17480.1924	8390.8413	16015.8343	5057.1112	18720.7176
PC 38:2	1600.9762	1613.0157	2101.1192	1857.8264	1958.8154	1263.2297	431.2586	0	0	0	0	0	0	0	0	303.8321	0	0	402.1026	0	0	169.6864	463.7691	307.8629	389.2588	285.6383	0	575.9656	0	174.2865	0	0	359.4321	333.1997	0	0	0	278.8465	0	0	389.0592	0	0	0	347.8586	0	1567.8942	2251.1898	1260.4994	1822.0967	3357.9156	1820.7508	2565.2007	2382.7241	2842.2294	1355.9616	2312.0992	2237.2362	271.802	884.776	287.6373	260.7703	0	57.5925	186.1681	954.2434	526.1997	496.4387	260.7018	228.9733	263.7964	365.8077	460.4705	203.8525	0	0	452.4348	0	0	0	36.3367	465.5246	612.4393	0	183.2858	444.9072	0	0	0	549.5267	174.1005	120.7461	0	0	0	0	0	0	4648.3045	5169.1839	2622.3739	4885.465	1696.7664	5921.2719
PC O-40:8	734.0995	1269.9834	1099.8037	2822.8243	2014.0133	1636.4047	0	0	0	0	131.625	0	0	0	0	224.6743	0	0	0	0	0	279.2878	0	0	0	0	0	0	0	0	0	0	0	410.4831	244.5139	0	0	328.9257	0	0	0	0	0	0	0	0	1222.7315	976.2485	674.6271	1924.5282	3591.3355	3762.3938	0	359.7536	623.3616	246.9644	124.3933	297.4082	116.029	0	0	0	0	246.5817	0	0	0	0	0	66.125	0	0	0	0	0	0	0	0	0	0	0	224.4771	0	0	0	0	0	0	0	0	0	0	0	0	119.2302	0	0	0	1667.3959	432.5887	0	2462.8359	509.366	1871.9509
PC O-40:7	527.6615	901.5501	1184.6672	8299.8096	8773.4064	7278.6355	0	0	0	792.2062	641.8078	284.6705	0	0	353.1221	892.5548	0	1531.25	0	0	0	765.9617	802.7689	707.178	324.2915	0	0	1194.4222	449.7909	227.7192	0	0	434.512	838.5209	776.4385	283.3665	0	0	589.0189	1154.009	1007.3456	725.7221	0	0	166.9572	0	1066.4341	2109.8938	1127.6286	10620.6424	14295.1942	12927.6643	288.9333	293.3143	335.6634	371.3074	561.7004	478.1426	196.255	0	0	0	0	261.0807	131.9703	0	0	480.7022	0	256.6075	0	182.1711	241.3096	0	0	0	108.5101	0	323.4562	0	0	389.8157	0	306.5239	0	137.3114	0	0	0	384.3376	0	250.1245	166.3698	0	163.4058	0	0	0	1545.9061	677.4163	0	3877.1794	734.269	2791.2085
PC O-40:6	641.4846	1044.3067	1528.302	5445.8232	4687.5041	3538.1061	0	0	0	580.1633	579.8936	332.5573	0	0	323.0303	560.6933	0	854.104	222.0654	468.501	0	552.9521	287.2299	481.3552	144.8167	0	0	1130.5149	0	330.3634	486.6783	0	0	353.7481	394.8735	0	0	0	0	559.6427	634.8327	0	0	0	0	0	948.5315	1116.9233	1142.6478	5455.7696	7337.6695	5629.0844	289.5838	284.2662	257.203	460.8672	771.6069	672.8345	174.1229	255.6026	0	71.794	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	278.511	0	0	0	0	0	0	0	0	0	0	0	144.5468	0	141.4343	0	0	0	0	440.609	509.6088	0	950.5982	451.9973	0
PC O-40:5	632.7041	734.8251	870.116	1194.5583	947.8324	683.8053	0	0	0	0	0	0	0	0	0	149.3776	0	0	179.1584	0	0	172.7576	0	0	0	0	0	528.6975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	522.7268	643.0664	630.0027	1736.7744	1948.4222	1541.5736	437.3659	475.7221	405.2107	576.9366	371.6701	538.4711	196.0086	0	0	0	0	0	0	0	0	0	0	0	187.6245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112.6743	0	0	676.7928	635.5827	710.0441	0	684.7506	408.3653	0
PC O-40:4	299.9231	700.5804	694.9954	679.2363	666.6289	401.5211	0	0	0	0	237.9233	0	0	0	0	185.0591	0	369.1484	0	0	0	0	0	0	205.6773	0	0	0	0	293.4512	0	0	0	0	0	307.2709	0	0	0	0	0	0	0	0	0	0	464.5634	425.821	488.3261	0	0	758.0348	518.0923	476.4382	659.7358	601.544	0	396.7878	32.6195	0	0	0	0	0	307.0219	0	0	0	0	114.202	0	0	0	0	0	0	150.4907	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79.0588	0	194.9701	0	563.1171	666.5648	0	797.3221	145.9795	0
PC O-40:3	913.2067	2230.0797	1874.9822	1719.8705	1512.0155	1142.1813	437.749	0	0	0	0	0	0	0	0	215.4556	0	0	191.7331	0	0	186.6285	0	212.8984	0	0	0	489.0438	0	0	0	0	0	0	0	0	0	0	0	0	311.8775	0	0	0	0	0	321.7792	376.2841	0	968.3765	0	306.8943	1324.7371	2208.5408	1988.0506	1782.5024	0	1560.8815	47.6574	0	0	0	1277.7639	175.0498	461.1554	0	0	0	0	155.0833	0	204.9303	403.1375	0	0	0	134.1805	0	52.4153	0	164.4671	0	0	0	226.9671	0	169.8207	0	0	0	223.1951	174.1783	65.488	131.5986	43.3267	0	0	0	439.2666	629.2594	0	712.8668	89.2538	0
PC O-40:2	441.9601	1123.4891	1358.8167	370.6068	931.7747	808.8894	0	0	0	0	0	0	0	0	168.3267	344.0432	0	0	360.7217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	326.6932	311.504	0	0	0	508.5906	0	0	0	0	0	0	511.2239	524.692	689.3567	0	0	713.4078	1098.6976	948.9972	693.1888	710.6883	0	941.1453	0	0	0	180.6524	0	186.753	308.3914	0	0	0	0	174.5939	0	0	224.1309	0	0	0	0	0	0	0	0	176.9173	194.5966	347.2361	0	46.4972	98.112	0	0	0	0	202.6892	114.1683	103.2122	126.8626	0	0	0	0	67.8181	0	0	127.2913	0
PC 40:8	541.7051	1347.9831	1367.1321	1566.2825	1588.3602	1827.6892	0	0	0	344.248	0	0	0	0	0	106.1004	0	320.3436	270.7918	444.0986	228.8347	0	461.9024	0	213.69	0	0	244.4614	219.1235	280.2652	532.6195	0	0	266.4343	244.7185	153.0129	0	0	490.1643	432.3954	0	0	0	415.8367	352.3406	324.9381	619.5988	811.8196	429.0499	2520.0448	3518.3018	2593.999	2518.1773	1176.5452	3025.8964	1431.6869	2597.1739	3597.2361	529.1335	0	736.6783	408.74	0	0	0	591.3845	448.5807	0	176.4193	212.5221	366.2369	374.6265	240.8094	0	0	229.3327	568.7251	758.9641	355.6669	0	0	0	0	0	453.9343	230.5071	0	240.5378	0	566.7331	212.604	253.4861	269.5273	200.9495	0	0	0	1021.0408	640.5714	1259.8361	0	2722.0243	928.2925	4032.3705
PC 40:7	648.8744	2006.2251	2314.8655	28536.4791	26164.8406	22469.995	0	0	0	2071.0906	1058.9385	956.2986	0	0	0	2102.8165	1879.1412	2286.8526	205.7655	0	0	3083.5408	2794.4881	1317.1444	201.4037	0	0	3338.0229	1884.2729	2162.8486	534.4871	0	0	2258.1439	2573.5083	0	0	0	0	2540.1839	2507.8436	870.5809	0	0	0	350.8466	886.6736	1386.2002	895.0448	25814.8655	35740.5378	30829.3078	3642.9283	2337.075	2789.4882	9977.9454	17493.2769	15784.7361	247.4131	492.0319	589.5889	926.0458	1925.3746	1431.17	0	615.0637	0	1155.2778	1193.8573	1116.6564	0	440.9738	300.272	1533.2094	612.7988	1713.8944	271.4483	0	137.6097	1825.9462	577.2752	786.1431	0	392.7622	399.8235	726.221	1244.6394	634.9797	0	0	0	765.8354	788.3568	1029.2731	0	0	0	1160.9643	4478.1312	4952.8137	2339.3924	26970.244	7643.1773	31274.9004
PC 40:6	1079.4399	2229.7214	2554.1963	20222.0596	18321.4517	15681.3866	0	0	0	1856.0047	1144.7958	674.4537	0	0	251.2591	898.9695	0	1603.7404	227.9672	246.1322	0	2213.9788	1996.26	1140.7352	0	407.6195	0	2159.9694	2074.9227	1636.6928	0	0	0	990.7921	1658.2712	0	0	257.5155	0	1145.6159	2879.3576	574.9089	0	0	0	0	1170.5443	1874.4391	1345.1689	16352.0844	21570.434	19219.6048	2444.0714	1874.8452	2221.4516	2748.2134	3831.5924	3312.4175	298.2487	0	0	322.7618	0	0	0	376.3042	513.5707	0	322.2019	353.6255	184.6371	418.9446	0	610.5578	0	612.5323	50.2991	0	0	513.3962	304.3767	287.5171	222.3928	97.1703	371.2649	445.8938	532.9161	0	0	411.4791	144.8812	175.8024	426.6011	439.1771	76.5918	0	0	0	2870.7899	2191.4078	1544.7462	5409.3181	1677.3151	6639.6241
PC 40:5	788.1646	1436.0479	1608.8566	534.9875	697.8151	341.8778	0	0	0	422.2648	181.9578	0	0	0	0	234.1864	0	0	123.559	0	0	234.1553	0	0	147.2287	0	0	298.1529	0	144.1838	0	0	0	0	206.9978	0	0	0	467.754	0	0	0	0	0	0	111.8438	703.3415	954.8591	878.6732	1161.7664	1102.52	1275.8043	1439.4985	1712.5846	1470.7721	618.1813	1390.8982	1245.8305	141.8417	0	0	0	0	437.3755	0	0	0	0	134.8357	214.2506	196.2098	398.4893	298.4162	0	0	0	151.322	0	0	0	0	217.6779	0	0	0	0	188.8971	0	0	0	221.9351	0	0	242.5942	173.2558	0	0	0	2090.2693	2209.107	1215.5508	1895.6444	413.5054	2212.5939
PC 40:4	297.3254	623.7666	598.9892	478.1211	449.3528	472.7163	0	0	0	0	0	0	0	0	0	160.9779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	501.6332	508.1349	218.9424	977.5144	0	663.8803	1486.2424	1238.2138	1317.3458	596.8689	733.3323	605.6075	111.046	0	0	0	0	203.6853	195.2191	0	0	0	0	207.0836	0	0	0	0	0	0	0	0	0	0	0	310.5872	0	0	229.5817	0	357.0508	149.6514	0	0	0	0	0	55.4034	0	0	0	0	2240.8715	2149.2828	1101.6782	1663.7942	551.6968	2303.2588
PC 40:3	253.4871	699.8547	700.8236	359.237	449.0398	255.6134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	393.3018	0	187.8735	0	0	0	0	140.8735	0	0	0	0	471.738	0	0	0	0	0	0	298.9818	260.6016	472.967	0	0	596.7586	666.1573	941.7547	498.5851	428.2217	358.6353	568.5647	20.9458	289.2181	0	116.2849	0	0	0	344.497	0	0	0	106.4492	0	0	0	0	0	0	255.1545	0	0	0	0	0	252.3655	0	0	0	321.0906	0	0	0	98.6458	0	0	0	0	0	0	0	1380.5992	1046.2168	0	1110.8027	306.5051	0
PC 40:2	366.1247	690.4536	905.7857	539.0773	435.3077	464.7054	0	0	0	0	0	0	0	934.761	0	0	0	0	0	0	0	230.4532	0	0	0	0	0	0	0	197.3357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	517.105	400.5167	519.6918	0	0	668.9351	387.973	544.8177	557.1089	418.5337	0	0	74.206	0	0	0	0	0	305.9014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	309.512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	855.4697	870.2408	813.247	1049.635	348.7134	0
SM 32:1;2O	270.2938	483.9801	453.9343	435.757	581.4243	497.759	582.5094	608.6902	2061.255	342.1315	279.9567	370.7107	0	870.5179	111.7366	379.2149	1392.5548	0	262.3236	0	464.4508	446.1604	362.5498	402.8287	2538.9691	0	603.0876	378.3616	0	623.6236	528.3865	9147.1614	327.1912	213.3964	308.7034	301.6638	0	434.8855	541.0857	399.6514	467.505	937.5	1606.5737	673.9293	317.0921	330.2022	486.6783	367.6544	613.0478	0	1472.2361	730.2042	1579.8084	973.8546	1390.9363	633.0537	1302.1663	1214.6414	375.1245	754.2331	779.4584	460.4143	1187.998	517.8049	246.6612	0	432.2709	338.7699	248.85	323.279	347.3606	187.414	285.2341	375.747	825.4482	499.502	307.6444	0	0	462.2759	246.7629	568.7476	370.7669	461.4044	531.3099	138.9875	447.9253	313.6435	1906.3745	523.6554	332.1713	418.2022	334.8311	273.9499	226.5936	1055.7769	360.3088	0	2517.5548	3031.3745	1477.0916	3683.6404	1189.9385	4652.3904
SM 34:2;2O	735.482	1168.5757	1494.5145	1455.7002	1443.5608	1281.3833	905.503	567.8536	2000.249	439.243	321.8376	579.6813	0	0	252.2683	556.1915	1363.4213	732.8187	185.7722	628.4861	384.2131	628.3107	0	531.25	0	0	604.9552	875.1245	360.8068	591.4288	674.5518	0	405.752	439.8655	405.8026	560.259	0	0	426.2948	622.759	470.6175	720.4708	1558.3914	0	0	0	1003.0622	1161.1894	1134.7112	2292.8287	3431.7729	2361.1803	937.749	451.4788	739.2148	255.1563	703.1873	595.7624	161.1395	0	461.6534	432.6091	1208.5408	864.9153	416.4758	0	0	606.4492	303.4838	378.9441	354.0837	0	253.1595	462.1514	735.0598	0	324.2032	0	190.201	416.3347	386.7032	512.1618	0	400.8964	499.8755	375.138	290.5426	215.3547	1941.1106	371.1404	232.2349	452.6892	370.2067	393.3191	0	1341.8825	459.6614	0	1395.9163	1391.4343	1055.0299	1764.6912	703.0781	2968.999
SM 34:1;2O	8046.6345	14240.5378	17110.8068	16320.0924	15165.9813	15730.8267	1739.464	1578.4657	4869.5219	2002.3655	1152.009	1760.0071	0	2681.8974	1448.1771	1523.2703	5711.1554	1847.6096	1719.3707	1113.0478	1673.3068	2535.411	2015.0647	1812.6983	1521.2819	2240.6624	2680.5279	2880.0989	1786.9771	1848.3672	2244.8954	2652.2659	2515.1712	1461.2799	4735.0598	520.9625	1425.2988	1953.3118	2555.5279	2178.9094	2009.8848	1817.3142	2186.6285	1895.0448	780.0571	759.9491	9153.0745	11925.9213	9915.6677	20138.8197	26628.8596	21310.01	20190.9861	11162.5473	18141.2844	9912.3594	17295.9305	15810.6272	1298.6681	1995.2689	2582.7613	1128.0157	2643.3018	1827.0088	1674.6104	2383.9641	2384.4622	2134.3376	1591.726	1515.6572	980.642	1851.0956	1972.2117	2658.989	1988.7478	1547.8088	1708.6438	2403.3316	1301.3697	1848.2321	1352.0614	1858.8017	1588.5881	2267.6793	1752.49	1313.3219	2178.897	1378.4486	2936.753	3103.8347	2555.2057	902.0883	1100.5035	1538.0345	476.6198	1606.8227	793.2022	3416.8327	29979.607	30225.677	13695.5993	38304.8556	11961.5939	42656.6235
SM 34:0;2O	499.2131	224.0386	162.4314	196.8368	589.9268	0	512.4328	543.1066	0	0	0	238.9581	0	0	272.2049	227.4031	1377.3629	467.4831	304.6655	0	110.5879	290.0966	395.0155	298.6378	0	342.2902	531.5487	360.8238	226.2264	349.9557	0	0	289.5783	0	720.8794	293.0914	0	0	394.6465	341.6583	318.8715	0	0	574.5248	218.3383	0	640.4457	1009.9114	1129.789	790.6002	1084.5122	799.6015	1533.7023	230.8219	1161.5269	0	0	0	21.568	0	231.9307	137.5424	0	183.5237	0	463.4372	0	0	230.8884	230.9371	124.7238	0	108.3929	0	0	521.9071	358.4102	82.6783	315.6556	397.4429	95.4932	126.7185	323.6933	212.3981	0	87.1369	418.2123	304.2285	0	0	383.9464	72.2787	0	287.3204	148.6558	0	0	729.0219	333.7492	334.3061	1470.8414	0	0	0
SM 42:2;2O	1511.6561	3549.7935	3942.8824	3023.5335	2993.0635	3038.2576	0	0	0	549.4526	253.1515	501.5634	0	0	284.2412	392.2409	1681.2749	433.9578	139.3259	0	453.2461	738.6322	273.0137	515.8842	346.1818	0	575.0185	471.9178	625.0822	0	0	0	549.845	0	1089.4631	427.6296	0	548.8608	455.4824	876.5871	553.1211	0	0	688.8592	0	329.5941	2308.1715	2299.8988	2474.2347	3726.5595	4352.4024	4798.916	11730.4687	5581.3855	10367.8534	4531.311	9193.4921	8167.4893	1000.9553	1178.62	808.2486	286.926	0	918.6154	601.162	1283.2396	1111.6345	850.2798	511.2161	765.849	308.9425	539.5626	763.5491	623.4656	644.2819	1015.038	1293.4975	1061.1497	892.1427	1049.4818	835.635	561.9077	679.5515	1292.7026	735.8487	645.4978	663.2755	492.7172	0	1847.1066	1038.1759	356.6005	456.7105	572.9754	112.4719	0	0	693.519	17823.3511	15247.3646	6398.7077	21476.5681	6449.4113	21385.9748
SM 42:1;2O	161.6943	1422.0961	1458.7614	846.0695	845.8245	1175.0486	734.9746	0	0	389.195	303.8927	231.2375	0	1170.4432	145.4102	80.7169	2134.3778	0	88.7247	347.1774	334.827	588.522	499.7942	87.0607	274.4582	0	638.1419	371.8197	689.6165	515.0198	0	0	0	0	804.7783	287.2261	0	0	0	439.3129	0	583.0719	0	192.7464	0	39.619	567.8129	634.816	1120.8888	1743.455	0	1152.5665	2938.3225	1118.9615	2625.0373	1742.622	2652.405	2291.4135	244.2823	0	0	173.1956	1448.7235	443.1054	452.0095	514.3858	0	0	253.56	233.1868	223.9574	275.2224	167.0196	467.8125	0	0	410.446	776.9206	267.2833	502.8045	0	379.3576	234.3214	501.4075	0	223.9915	258.3564	348.1987	1519.7958	564.5687	799.7852	128.6737	348.5513	373.7872	0	1797.6843	0	0	3646.748	3392.334	1672.4378	4540.9203	1267.5308	4974.6619
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z
IS PC 17:0/17:0	762.5
IS DHSM 12:0	649.5
PC 28:0	678.6
PC 30:1	704.6
PC 30:0	706.6
PC 32:2	730.6
PC 32:1	732.6
PC 32:0	734.6
PC 34:4	754.6
PC 34:3	756.6
PC 34:2	758.7
PC 34:1	760.6
PC 34:0	762.7
PC 33:1	746.6
PC 33:0	744.7
PC O-36:5	766.7
PC O-36:4	768.7
PC O-36:3	770.6
PC O-36:2	772.3
PC O-36:1	774.4
PC O-36:0	776.6
PC 36:5	780.6
PC 36:4	782.6
PC 36:3	784.6
PC 36:2	786.6
PC 36:1	788.7
PC 36:0	790.3
PC O-38:6	792.4
PC O-38:5	794.4
PC O-38:4	796.4
PC O-38:3	798.5
PC O-38:2	800.8
PC O-38:1	802.8
PC 38:7	804.6
PC 38:6	806.6
PC 38:5	808.6
PC 38:4	810.6
PC 38:3	812.7
PC 38:2	814.7
PC O-40:8	816.7
PC O-40:7	818.7
PC O-40:6	820.7
PC O-40:5	822.7
PC O-40:4	824.7
PC O-40:3	826.4
PC O-40:2	828.7
PC 40:8	830.7
PC 40:7	832.5
PC 40:6	834.7
PC 40:5	836.7
PC 40:4	838.5
PC 40:3	840.6
PC 40:2	842.5
SM 32:1;2O	675.6
SM 34:2;2O	701.6
SM 34:1;2O	703.6
SM 34:0;2O	705.6
SM 42:2;2O	813.6
SM 42:1;2O	815.6
METABOLITES_END
#END