#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