#METABOLOMICS WORKBENCH ncstevens_20220825_164029 DATATRACK_ID:3431 STUDY_ID:ST002438 ANALYSIS_ID:AN003973 PROJECT_ID:PR001570 VERSION 1 CREATED_ON January 12, 2023, 3:00 pm #PROJECT PR:PROJECT_TITLE Ozone alters glycosphingolipid metabolism and exacerbates characteristics of PR:PROJECT_TITLE asthma in mice PR:PROJECT_SUMMARY Asthma is a common chronic respiratory disease exacerbated by multiple PR:PROJECT_SUMMARY environmental factors, including exposure to air pollutants such as ozone. Acute PR:PROJECT_SUMMARY ozone exposure has previously been implicated in airway inflammation, airway PR:PROJECT_SUMMARY hyperreactivity, and other characteristics of asthma. Altered sphingolipid PR:PROJECT_SUMMARY metabolism following ozone exposure may contribute to the molecular mechanisms PR:PROJECT_SUMMARY underlying these previously reported effects. This study aimed to identify PR:PROJECT_SUMMARY changes in metabolomic profiles and characteristics of asthma in PR:PROJECT_SUMMARY allergen-sensitized mice following ozone exposure to provide insights regarding PR:PROJECT_SUMMARY mechanisms of ozone-induced exacerbations in asthma. Adult male and female PR:PROJECT_SUMMARY BALB/c mice were sensitized intranasally to house dust mite allergen (HDM) on PR:PROJECT_SUMMARY days 1, 3, and 5 followed by HDM challenge on days 12-14. Mice were subsequently PR:PROJECT_SUMMARY exposed to ozone following each HDM challenge for 6 hr/day. Bronchoalveolar PR:PROJECT_SUMMARY lavage, plasma, whole lung lobes, and microdissected lung airways were collected PR:PROJECT_SUMMARY from 8 female and 8 male mice for metabolomics analysis. 6 female and 6 male PR:PROJECT_SUMMARY mice underwent methacholine challenge using a forced oscillation technique to PR:PROJECT_SUMMARY assess pulmonary function. HDM-sensitized male mice exposed to ozone displayed PR:PROJECT_SUMMARY synergistically increased airway hyperreactivity as well as increased airway PR:PROJECT_SUMMARY inflammation and eosinophilia relative to control mice. Effects in male mice PR:PROJECT_SUMMARY were significantly more severe than the effects observed in females. Both PR:PROJECT_SUMMARY HDM-sensitized male and female mice exposed to ozone displayed significant PR:PROJECT_SUMMARY decreases in multiple classes of sphingolipids in microdissected airways. PR:PROJECT_SUMMARY However, glycosphingolipids were significantly increased in females and to a PR:PROJECT_SUMMARY lesser extent in males. These results potentially implicate glycosphingolipids PR:PROJECT_SUMMARY in protecting against severe outcomes of ozone exposure that coincide with PR:PROJECT_SUMMARY exacerbation of allergic asthma. PR:INSTITUTE University of California Davis PR:LAST_NAME Stevens PR:FIRST_NAME Nathanial PR:ADDRESS 451 Health Sciences Drive, Davis, CA, 95616, USA PR:EMAIL ncstevens@ucdavis.edu PR:PHONE 8282844315 PR:FUNDING_SOURCE R21 ES030276, T32 ES007059, T32 HL007013, NIH U19 AG023122 #STUDY ST:STUDY_TITLE Ozone alters glycosphingolipid metabolism and exacerbates characteristics of ST:STUDY_TITLE asthma in mice ST:STUDY_SUMMARY Asthma is a common chronic respiratory disease exacerbated by multiple ST:STUDY_SUMMARY environmental factors, including exposure to air pollutants such as ozone. Acute ST:STUDY_SUMMARY ozone exposure has previously been implicated in airway inflammation, airway ST:STUDY_SUMMARY hyperreactivity, and other characteristics of asthma. Altered sphingolipid ST:STUDY_SUMMARY metabolism following ozone exposure may contribute to the molecular mechanisms ST:STUDY_SUMMARY underlying these previously reported effects. This study aimed to identify ST:STUDY_SUMMARY changes in metabolomic profiles and characteristics of asthma in ST:STUDY_SUMMARY allergen-sensitized mice following ozone exposure to provide insights regarding ST:STUDY_SUMMARY mechanisms of ozone-induced exacerbations in asthma. Adult male and female ST:STUDY_SUMMARY BALB/c mice were sensitized intranasally to house dust mite allergen (HDM) on ST:STUDY_SUMMARY days 1, 3, and 5 followed by HDM challenge on days 12-14. Mice were subsequently ST:STUDY_SUMMARY exposed to ozone following each HDM challenge for 6 hr/day. Bronchoalveolar ST:STUDY_SUMMARY lavage, plasma, whole lung lobes, and microdissected lung airways were collected ST:STUDY_SUMMARY from 8 female and 8 male mice for metabolomics analysis. 6 female and 6 male ST:STUDY_SUMMARY mice underwent methacholine challenge using a forced oscillation technique to ST:STUDY_SUMMARY assess pulmonary function. HDM-sensitized male mice exposed to ozone displayed ST:STUDY_SUMMARY synergistically increased airway hyperreactivity as well as increased airway ST:STUDY_SUMMARY inflammation and eosinophilia relative to control mice. Effects in male mice ST:STUDY_SUMMARY were significantly more severe than the effects observed in females. Both ST:STUDY_SUMMARY HDM-sensitized male and female mice exposed to ozone displayed significant ST:STUDY_SUMMARY decreases in multiple classes of sphingolipids in microdissected airways. ST:STUDY_SUMMARY However, glycosphingolipids were significantly increased in females and to a ST:STUDY_SUMMARY lesser extent in males. These results potentially implicate glycosphingolipids ST:STUDY_SUMMARY in protecting against severe outcomes of ozone exposure that coincide with ST:STUDY_SUMMARY exacerbation of allergic asthma. ST:INSTITUTE University of California, Davis ST:LAST_NAME Stevens ST:FIRST_NAME Nathanial ST:ADDRESS 451 Health Sciences Drive ST:EMAIL ncstevens@ucdavis.edu ST:PHONE 8282844315 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN BALB/c SU:AGE_OR_AGE_RANGE 8-10 wks. SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER Envigo SU:ANIMAL_LIGHT_CYCLE 12/12 light/dark #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 - mx626289_OzAW_1 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_1.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_10 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_10.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_11 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_11.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_12 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_12.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_13 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_13.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_14 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_14.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_15 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_15.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_16 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_16.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_17 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_17.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_18 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_18.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_19 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_19.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_2 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_2.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_20 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_20.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_21 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_21.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_22 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_22.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_23 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_23.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_24 Factor:SO3_M RAW_FILE_NAME=mx626289_OzAW_24.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_25 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_25.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_26 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_26.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_27 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_27.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_28 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_28.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_29 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_29.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_3 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_3.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_30 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_30.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_31 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_31.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_32 Factor:SO3_F RAW_FILE_NAME=mx626289_OzAW_32.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_4 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_4.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_5 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_5.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_6 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_6.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_65 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_65.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_66 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_66.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_67 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_67.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_68 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_68.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_69 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_69.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_7 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_7.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_70 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_70.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_71 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_71.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_72 Factor:HFA_M RAW_FILE_NAME=mx626289_OzAW_72.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_73 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_73.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_74 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_74.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_75 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_75.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_76 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_76.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_77 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_77.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_78 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_78.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_79 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_79.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_8 Factor:SFA_M RAW_FILE_NAME=mx626289_OzAW_8.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_80 Factor:HFA_F RAW_FILE_NAME=mx626289_OzAW_80.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_81 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_81.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_82 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_82.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_83 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_83.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_84 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_84.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_85 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_85.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_86 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_86.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_87 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_87.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_88 Factor:HO3_M RAW_FILE_NAME=mx626289_OzAW_88.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_89 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_89.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_9 Factor:SFA_F RAW_FILE_NAME=mx626289_OzAW_9.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_90 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_90.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_91 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_91.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_92 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_92.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_93 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_93.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_94 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_94.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_95 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_95.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_96 Factor:HO3_F RAW_FILE_NAME=mx626289_OzAW_96.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR1 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR1.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR2 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR2.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR3 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR3.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR4 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR4.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR5 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR5.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR6 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR6.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_BR7 Factor:BR RAW_FILE_NAME=mx626289_OzAW_BR7.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB01 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB01.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB02 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB02.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB03 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB03.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB04 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB04.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB05 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB05.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB06 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB06.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_MB07 Factor:MB RAW_FILE_NAME=mx626289_OzAW_MB07.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P1 Factor:P RAW_FILE_NAME=mx626289_OzAW_P1.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P2 Factor:P RAW_FILE_NAME=mx626289_OzAW_P2.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P3 Factor:P RAW_FILE_NAME=mx626289_OzAW_P3.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P4 Factor:P RAW_FILE_NAME=mx626289_OzAW_P4.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P5 Factor:P RAW_FILE_NAME=mx626289_OzAW_P5.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P6 Factor:P RAW_FILE_NAME=mx626289_OzAW_P6.raw SUBJECT_SAMPLE_FACTORS - mx626289_OzAW_P7 Factor:P RAW_FILE_NAME=mx626289_OzAW_P7.raw #COLLECTION CO:COLLECTION_SUMMARY Right lung lobes were microdissected following a previous protocol (Plopper et CO:COLLECTION_SUMMARY al. 1991; Stevens et al. 2021). Briefly, 3 right lobes from each mouse collected CO:COLLECTION_SUMMARY during necropsy were blunt dissected on ice by removal of the surrounding lung CO:COLLECTION_SUMMARY parenchyma from the airways. The dissected lung airways were promptly CO:COLLECTION_SUMMARY transferred and stored at -80 degrees C until preparation for metabolomics CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Lung airways #TREATMENT TR:TREATMENT_SUMMARY Mice underwent intranasal instillation with either house-dust mite dissolved in TR:TREATMENT_SUMMARY PBS or vehicle on days 1,3, and 5. Mice were challenged with HDM or vehicle on TR:TREATMENT_SUMMARY days 12-14 and subsequently exposed to either filtered air or ozone (0.5ppm, TR:TREATMENT_SUMMARY 6hr./day) after each challenge. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of Mammalian Tissue Samples: Liver 1. References: Fiehn O, Kind T SP:SAMPLEPREP_SUMMARY (2006) Metabolite profiling in blood plasma. In: Metabolomics: Methods and SP:SAMPLEPREP_SUMMARY Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ (in press) 2.Starting SP:SAMPLEPREP_SUMMARY material: Liver sample: weigh 4mg per sample into 2mL Eppendorf tubes. 3. SP:SAMPLEPREP_SUMMARY Equipment: Centrifuge (Eppendorf 5415 D) Calibrated pipettes 1-200μl and SP:SAMPLEPREP_SUMMARY 100-1000μl Eppendorf tubes 2mL, clear (Cat. No. 022363204) Centrifuge tubes SP:SAMPLEPREP_SUMMARY 50mL, polypropylene Eppendorff Tabletop Centrifuge (Proteomics core Lab.) SP:SAMPLEPREP_SUMMARY ThermoElectron Neslab RTE 740 cooling bath at –20°C MiniVortexer (VWR) SP:SAMPLEPREP_SUMMARY Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific Instruments) SP:SAMPLEPREP_SUMMARY Speed vacuum concentration system (Labconco Centrivap cold trap) Turex mini SP:SAMPLEPREP_SUMMARY homogenizer 4. Chemicals Acetonitrile, LCMS grade (JT Baker; Cat. No.9829-02) SP:SAMPLEPREP_SUMMARY Isopropanol, HPLC grade (JT Baker; Cat. No. 9095-02) Methanol Acetone Crushed SP:SAMPLEPREP_SUMMARY ice 18 MΩ pure water (Millipore) Nitrogen line with pipette tip pH paper 5-10 SP:SAMPLEPREP_SUMMARY (EMD Chem. Inc.) 5. Procedure Preparation of extraction mix and material before SP:SAMPLEPREP_SUMMARY experiment: Switch on bath to pre-cool at –20°C (±2°C validity temperature SP:SAMPLEPREP_SUMMARY range) Check pH of acetonitrile and isopropanol (pH7) using wetted pH paper Make SP:SAMPLEPREP_SUMMARY the extraction solution by mixing acetonitrile, isopropanol and water in SP:SAMPLEPREP_SUMMARY proportions 3 : 3 : 2 De-gas the extraction solution for 5 min with nitrogen. SP:SAMPLEPREP_SUMMARY Make sure that the nitrogen line was flushed out of air before using it for SP:SAMPLEPREP_SUMMARY degassing the extraction solvent solution Sample Preparation Weigh 4mg tissue SP:SAMPLEPREP_SUMMARY sample in to a 2mL Eppendorf tube. Add 1mL extraction solvent to the tissue SP:SAMPLEPREP_SUMMARY sample and homogenize for 45 seconds ensuring that sample resembles a powder. In SP:SAMPLEPREP_SUMMARY between samples, clean the homogenizer in solutions of methanol, acetone, water, SP:SAMPLEPREP_SUMMARY and the extraction solvent in the order listed. Vortex samples for 10 seconds, SP:SAMPLEPREP_SUMMARY then 5 minutes on 4°C shaker. Centrifuge the samples for 2 minutes at 14,000 SP:SAMPLEPREP_SUMMARY rcf. Aliquot 500µL supernatant for analysis, and 500µL for a backup. Store SP:SAMPLEPREP_SUMMARY backup aliquots in the -20°C freezer. Evaporate one 500µl analysis aliquot in SP:SAMPLEPREP_SUMMARY the Labconco Centrivap cold trap concentrator to complete dryness (typically SP:SAMPLEPREP_SUMMARY overnight). The dried aliquot is then re-suspended with 500μl 50% acetonitrile SP:SAMPLEPREP_SUMMARY (degassed as given) Centrifuge for 2 minutes at 14,000 rcf using the centrifuge SP:SAMPLEPREP_SUMMARY Eppendorf 5415. Remove supernatant to a new Eppendorf tube. Evaporate the SP:SAMPLEPREP_SUMMARY supernatant to dryness in the the Labconco Centrivap cold trap concentrator. SP:SAMPLEPREP_SUMMARY Submit to derivatization. The residue should contain membrane lipids because SP:SAMPLEPREP_SUMMARY these are supposedly not soluble enough to be found in the 50% acetonitrile SP:SAMPLEPREP_SUMMARY solution. Therefore, this ‘membrane residue’ is now taken for membrane SP:SAMPLEPREP_SUMMARY lipidomic fingerprinting using the nanomate LTQ ion trap mass spectrometer. SP:SAMPLEPREP_SUMMARY Likely, a good solvent to redissolve the membrane lipids is e.g. 75% isopropanol SP:SAMPLEPREP_SUMMARY (degassed as given above). If the ‘analysis’ aliquot is to be used for semi SP:SAMPLEPREP_SUMMARY lipophilic compounds such as tyrosine pathway intermediates (incl. dopamine, SP:SAMPLEPREP_SUMMARY serotonine etc, i.e. polar aromatic compounds), then these are supposedly to be SP:SAMPLEPREP_SUMMARY found together with the ‘GCTOF’ aliquot. We can assume that this mixture is SP:SAMPLEPREP_SUMMARY still too complex for Agilent chipLCMS. Therefore, in order to develop and SP:SAMPLEPREP_SUMMARY validate target analysis for such aromatic compounds, we should use some sort of SP:SAMPLEPREP_SUMMARY Solid Phase purification. We re-suspend the dried ‘GCTOF’ aliquot in 300 l SP:SAMPLEPREP_SUMMARY water (degassed as before) to take out sugars, aliphatic amino acids, hydroxyl SP:SAMPLEPREP_SUMMARY acids and similar logP compounds. The residue should contain our target SP:SAMPLEPREP_SUMMARY aromatics .We could also try to adjust pH by using low concentration acetate or SP:SAMPLEPREP_SUMMARY phosphate buffer. The residue could then be taken up in 50% acetonitrile and SP:SAMPLEPREP_SUMMARY used for GCTOF and Agilent chipMS experiments. The other aliquot should be SP:SAMPLEPREP_SUMMARY checked how much of our target compounds would actually be found in the SP:SAMPLEPREP_SUMMARY ‘sugar’ fraction. 6. Problems To prevent contamination disposable material SP:SAMPLEPREP_SUMMARY is used. Control pH from extraction mix. 7. Quality assurance For each sequence SP:SAMPLEPREP_SUMMARY of sample extractions, perform one blank negative control extraction by applying SP:SAMPLEPREP_SUMMARY the total procedure (i.e. all materials and plastic ware) without biological SP:SAMPLEPREP_SUMMARY sample. 8. Disposal of waste Collect all chemicals in appropriate bottles and SP:SAMPLEPREP_SUMMARY follow the disposal rules. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The ion source conditions were set as follows: spray voltage, -3.0 kV; sheath MS:MS_COMMENTS gas flow rate, 60 arbitrary units; aux gas flow rate, 25 arbitrary units; sweep MS:MS_COMMENTS gas flow rate, 2 arbitrary units; capillary temp, 300 °C; S-lens RF level, 50; MS:MS_COMMENTS Aux gas heater temp, 370 °C. The following acquisition parameters were used for MS:MS_COMMENTS MS1 analysis: resolution, 60000, AGC target, 1e6; Maximum IT, 100 ms; scan range MS:MS_COMMENTS 60-900 m/z; spectrum data type, centroid. Data dependent MS/MS parameters: MS:MS_COMMENTS resolution, 15000; AGC target, 1e5; maximum IT, 50 ms; loop count, 4; TopN, 4; MS:MS_COMMENTS isolation window, 1.0 m/z; fixed first mass, 70.0 m/z; (N)CE/ stepped nce, 20, MS:MS_COMMENTS 30, 40; spectrum data type, centroid; minimum AGC target, 8e3; intensity MS:MS_COMMENTS threshold, 1.6e5; exclude isotopes, on; dynamic exclusion, 3.0 s. To increase MS:MS_COMMENTS the total number of MS/MS spectra, five runs with iterative MS/MS exclusions MS:MS_COMMENTS were performed using the R package “IE-Omics”18 for both positive and MS:MS_COMMENTS negative electrospray conditions. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative abundance MS_METABOLITE_DATA_START Samples mx626289_OzAW_1 mx626289_OzAW_10 mx626289_OzAW_11 mx626289_OzAW_12 mx626289_OzAW_13 mx626289_OzAW_14 mx626289_OzAW_15 mx626289_OzAW_16 mx626289_OzAW_17 mx626289_OzAW_18 mx626289_OzAW_19 mx626289_OzAW_2 mx626289_OzAW_20 mx626289_OzAW_21 mx626289_OzAW_22 mx626289_OzAW_23 mx626289_OzAW_24 mx626289_OzAW_25 mx626289_OzAW_26 mx626289_OzAW_27 mx626289_OzAW_28 mx626289_OzAW_29 mx626289_OzAW_3 mx626289_OzAW_30 mx626289_OzAW_31 mx626289_OzAW_32 mx626289_OzAW_4 mx626289_OzAW_5 mx626289_OzAW_6 mx626289_OzAW_65 mx626289_OzAW_66 mx626289_OzAW_67 mx626289_OzAW_68 mx626289_OzAW_69 mx626289_OzAW_7 mx626289_OzAW_70 mx626289_OzAW_71 mx626289_OzAW_72 mx626289_OzAW_73 mx626289_OzAW_74 mx626289_OzAW_75 mx626289_OzAW_76 mx626289_OzAW_77 mx626289_OzAW_78 mx626289_OzAW_79 mx626289_OzAW_8 mx626289_OzAW_80 mx626289_OzAW_81 mx626289_OzAW_82 mx626289_OzAW_83 mx626289_OzAW_84 mx626289_OzAW_85 mx626289_OzAW_86 mx626289_OzAW_87 mx626289_OzAW_88 mx626289_OzAW_89 mx626289_OzAW_9 mx626289_OzAW_90 mx626289_OzAW_91 mx626289_OzAW_92 mx626289_OzAW_93 mx626289_OzAW_94 mx626289_OzAW_95 mx626289_OzAW_96 mx626289_OzAW_BR1 mx626289_OzAW_BR2 mx626289_OzAW_BR3 mx626289_OzAW_BR4 mx626289_OzAW_BR5 mx626289_OzAW_BR6 mx626289_OzAW_BR7 mx626289_OzAW_MB01 mx626289_OzAW_MB02 mx626289_OzAW_MB03 mx626289_OzAW_MB04 mx626289_OzAW_MB05 mx626289_OzAW_MB06 mx626289_OzAW_MB07 mx626289_OzAW_P1 mx626289_OzAW_P2 mx626289_OzAW_P3 mx626289_OzAW_P4 mx626289_OzAW_P5 mx626289_OzAW_P6 mx626289_OzAW_P7 Factors Factor:SFA_M Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SFA_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SFA_M Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:SFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:SFA_M Factor:HFA_F Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_F Factor:SFA_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:P Factor:P Factor:P Factor:P Factor:P Factor:P Factor:P Cer 34:1;2O|Cer 18:1;2O/16:0 19705082 8917249 9238537 17589886 10770448 13917159 19096022 18270183 11449006 21310014 12145500 14661728 9143653 16104391 19074270 11486843 15007296 17272272 11941854 12152339 11809031 12926004 21519434 9230993 18741569 8461274 17301828 23458913 9959397 27840449 18085053 24946499 24474831 18960539 20389159 24418441 17316305 20378368 25364546 24289902 29803593 27022739 11041782 19906297 26753686 10438721 11182351 19906767 13040669 28530932 11018251 20436605 21909541 30457548 20883558 4221325 16124345 36083934 25857291 20954686 10946343 10988462 11667864 19000868 440002 490665 576812 661402 600154 581305 529585 0 0 0 0 0 0 0 14186046 19808365 19539149 23288608 22864181 24356320 23916856 Cer 36:2;2O|Cer 18:2;2O/18:0 1197588 374155 424436 867309 528473 724313 1069157 782654 650655 1086305 631633 942430 511061 706991 1187208 607861 747690 834170 610896 693292 826962 573895 1050832 514447 651021 397257 770823 976028 442557 966707 753583 833451 811696 511450 855061 642544 550978 755037 798911 732175 787016 899133 541665 1019271 1634592 654443 387888 741078 585385 1374691 400236 1128528 1256920 1129268 951016 183052 680120 1595040 1272558 843139 691053 634278 687872 990999 0 11956 6745 11345 11223 8710 8006 0 0 0 0 0 0 0 655865 904388 953256 1114173 1097852 1145971 1075817 Cer 42:1;2O|Cer 18:1;2O/24:0 255534 270179 261277 478179 291386 282259 457318 436926 272173 478821 235258 224631 170892 407436 477374 279484 372051 364749 238362 207619 230614 387738 472386 205008 496268 199744 381129 453329 305315 558533 423873 594219 553461 398560 419834 489648 413644 480414 470757 536784 685835 520988 247872 307265 351411 244576 198446 395613 321027 413442 140441 273949 258570 481015 387273 59705 475461 497633 527882 400049 177933 184070 144475 252699 266738 286878 333688 421811 355628 347342 318418 0 0 0 0 0 0 0 337461 381296 445491 493255 420151 483488 429121 Cer 42:3;2O|Cer 18:2;2O/24:1 222114 138784 122441 176406 118821 172366 210887 241530 130758 266875 131974 152992 103468 183486 220073 134751 152155 165746 141032 90515 136683 150599 257443 115094 210958 111988 185185 252041 122188 337983 176606 259979 216172 200670 205053 221949 174041 238000 193606 293535 320962 284910 126783 192490 268602 172227 103203 174174 166678 281741 120821 204341 186534 291436 195468 18685 225317 352778 291342 197130 108074 106763 124878 184703 0 0 0 0 0 0 0 0 0 0 0 0 0 0 152002 192812 249298 207432 258555 252468 211688 Ceramide d32:1 48710 19975 8030 33713 21821 23411 50230 17423 0 39695 12857 32462 6177 26926 17618 0 0 27142 18551 15834 16237 20559 32765 8500 29541 7403 36732 52357 20168 40480 31144 36992 36982 32778 57079 53654 18775 67861 17468 49755 82904 60884 19708 32474 45973 43562 16840 43029 15163 73282 31928 64506 48808 112044 55097 0 25859 82923 64596 56728 7470 48259 24638 45587 0 0 0 0 0 0 0 0 0 0 0 0 0 0 46031 24360 50594 76648 47442 62553 54753 Ceramide d34:0 101498 29112 22892 102664 34791 47189 69851 79268 28361 139600 32318 21475 0 105959 45471 17895 73749 45102 0 0 10317 56463 115309 11100 108310 7379 73055 142537 47871 202580 107356 147924 128827 103530 69309 112814 84913 148323 124453 151038 253585 193184 69386 67915 122589 37020 23099 70271 47082 144938 22671 44378 86994 171480 97074 0 95064 174471 197736 117926 37363 23334 14696 58404 7173 0 7276 0 15635 0 0 0 0 0 0 0 0 0 61625 106306 96131 126995 110018 135773 126292 Ceramide d39:1 1065696 979381 786886 1002429 840823 922323 1259210 1022507 712143 1545394 600520 1004195 735530 1033715 1122618 880228 1024061 1079455 802577 591590 781876 961274 1110887 570013 1071824 514088 1142756 1280144 929968 1527437 1192057 1430359 1417798 1059282 1350576 1392835 918320 1389432 1253193 1266620 1702244 1392640 849651 968505 1299697 1205220 693992 1002432 967193 1438971 544877 1196940 1040941 1489215 1120531 280275 1140171 1631520 1687700 1087327 489432 938723 893678 838228 245583 302570 293987 311576 309972 281501 265163 0 0 0 0 0 0 0 977470 1091712 1201836 1333240 1340596 1297840 1165512 Ceramide d40:1 411070 365377 310175 472683 293733 291312 455904 330931 277390 626345 205566 340306 345782 517500 530103 290691 397199 410120 203107 162560 383378 330551 451194 209520 384275 182794 433814 484515 308294 501260 382635 457960 424970 374078 496527 407929 319330 549993 368716 368731 580956 404693 222098 300697 1085176 443663 203005 340053 269674 402951 120048 270581 287910 431623 340495 54823 460714 560981 661506 322786 135707 207582 198335 199886 249129 246679 312544 290933 301983 306440 268951 0 0 0 0 0 0 0 299854 438724 407785 523346 501517 436736 440895 Ceramide d40:2 125558 54061 67356 75193 58382 55615 85783 87596 50348 182993 21886 103793 43242 112145 137375 61965 61398 68489 40457 26468 107900 88264 130819 42020 107298 67087 126665 140024 82641 111698 63651 138408 83700 78957 128376 66038 53306 134973 71592 61198 122550 53695 13962 39416 193979 133541 7379 66266 50342 84858 7595 69906 44236 79821 74283 0 105645 131898 156043 84731 0 28627 28790 25302 12562 14760 21666 21358 19493 22828 15871 0 0 0 0 0 0 0 87020 81911 78556 109802 113369 124486 90722 Ceramide d41:1 2360715 3043720 2670010 3610177 2644792 3129834 4016954 3103607 2048318 3813308 1801625 2037416 2031246 3678715 3791888 2397769 2728938 2741875 2050763 1462368 1896054 3522436 3202154 1718183 3795169 1631942 3121492 3388651 2977588 4313872 3605862 4836265 4790342 3396982 3589918 3678566 3017714 4686551 3390164 4068422 5068264 3898180 2492083 2784214 2915878 3133029 2049470 2794509 2752914 3287485 1294613 2702221 2420119 3626398 3069962 726580 3913864 4184528 3903560 3635834 1139855 1796322 1860052 1872456 2334828 2620297 2514686 2820318 2542854 2504120 1948723 0 0 0 0 0 0 0 3343673 3607168 3160466 3685460 3492994 3473852 3461945 Ceramide d42:2 1707256 1381659 1331008 2243980 1543220 1598984 2111126 1922300 1427032 1928450 1329580 1294158 1026950 2011042 1996295 1253112 1598362 1556871 1149727 1231571 1052845 1816677 2104106 1225071 2318048 1164248 1742548 2247382 1295786 2593873 2262451 2444046 2518864 2210104 1905287 2015884 1780086 2201013 2652925 2578010 3302080 2495878 1214676 1846949 1593521 1489755 1158260 1750846 1496720 2194756 903335 1683120 1492112 2574706 1829840 625855 2332506 2799374 2536834 2228903 1040255 1018998 1029892 1345661 572227 658145 678435 765480 724200 657585 607037 0 0 0 0 0 0 0 1515860 1825795 2022202 2192907 2260957 2206916 2263461 Ceramide d43:1 73164 59506 51118 55130 40662 91646 126104 97385 82005 153498 73093 21642 108424 129857 134300 81571 100381 110428 63909 43839 61680 67545 152985 47743 95190 41108 58131 63448 50099 115194 55103 68732 75519 23712 148779 95324 55916 102415 55178 70272 77634 60849 65070 70452 20960 102836 35894 38763 48996 85468 0 62695 44441 78087 39744 0 63808 75971 99249 27392 16762 12234 11076 26887 8184 0 9844 0 13740 0 0 0 0 0 0 0 0 0 63103 65745 102400 79580 99709 109186 69151 CL 70:4|CL 16:0_18:1_18:1_18:2 371176 50951 75612 286321 87702 411134 482751 447770 416369 463776 239672 111582 2096 295479 542475 350552 302868 462415 317334 198239 326542 237003 478727 270059 389750 191175 245037 402917 115700 427354 370766 558384 308366 377549 443399 396135 407478 441522 478672 529664 317509 419403 347364 350391 855926 54588 347118 374367 136980 530198 149489 457590 329142 465346 463493 60738 351466 659026 571342 383747 261767 60814 319040 309755 0 0 0 0 0 0 0 0 0 0 0 0 0 0 299786 319591 415352 547147 481827 423548 484138 CL 70:7|CL 16:1_18:2_18:2_18:2 75852 54842 58481 141120 91561 69560 98243 59689 48375 163386 69433 38109 65955 136749 133275 85289 81604 107162 61627 20666 76585 96616 125554 68892 124630 52980 95165 151027 81829 191665 244478 168944 157287 152465 135249 146075 152700 155415 172094 172754 144670 225034 66733 115846 266539 49027 64614 114944 95335 159012 56762 96631 147110 158640 161715 14161 232951 251189 180288 127109 70008 60449 78559 96292 0 0 0 0 0 0 0 0 0 0 0 0 0 0 111897 137085 153128 149842 170331 140060 162280 CL 72:5|CL 18:1_18:1_18:1_18:2 349312 7080 7042 188924 134374 289677 332821 292304 242911 242464 136797 139200 0 185866 300773 172357 197762 375855 194726 130352 238681 157266 198953 170316 146007 125269 144682 246879 255545 283730 209324 272304 213145 177582 224419 283373 237157 285004 230977 329073 153754 263529 198284 222228 684539 0 191240 243912 229222 280022 110429 316684 240392 256932 221925 43728 227847 401876 349983 210249 160770 3886 97573 246051 0 0 0 0 0 0 0 0 0 0 0 0 0 0 185732 207729 283312 286428 306557 303741 302202 CL 72:6|CL 18:1_18:1_18:2_18:2 1696600 73149 143876 1307709 715221 1463772 1912024 1496620 1638719 1587809 978551 1098174 51515 1273631 1919283 1105319 1158137 1706131 1288173 916754 1430332 1119549 1633342 1244373 980650 779859 1084761 1566065 1235795 1549565 1373816 1603610 1470748 1216546 1471907 1575840 1400220 1546351 1519488 1473813 1064288 1539640 1382405 1433674 3166511 13740 1249596 1321121 1190585 1903896 843382 1707655 1769762 1672582 1634306 452131 1332835 2577013 1962178 1402026 1250220 47244 395432 1600287 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1156156 1530812 1646416 1712775 1806301 1949026 1894603 CL 72:7|CL 18:1_18:2_18:2_18:2 2495327 49119 150908 1953462 1035988 1958738 2441634 2222324 2326767 2620615 1555404 1630406 59530 1956429 2909173 1735460 1743297 2406377 1676657 1415311 1931388 1483010 2639908 1530850 1559426 1255172 1660665 2536651 2346925 2610688 2132298 2598662 2478341 1690795 2419086 2349496 1988322 2629045 2009952 2279444 1975441 2661382 2055824 2523464 5174173 1899 1927369 1982209 1884398 3100884 1232957 2610539 2630487 2491516 2889193 765110 2328066 3899143 3133774 2360254 2067209 12281 410057 2593198 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2015780 2318637 2584394 2896915 2831730 2504100 2645212 CL 72:8|CL 18:2_18:2_18:2_18:2 1294697 27732 59040 951187 728395 1016843 1263087 1066649 1192899 1584330 855251 1054403 2407 1139957 1653281 981652 992198 1070703 940932 663205 992588 752786 1505309 806129 784053 562553 1148399 1549267 1553677 1430887 1121979 1392397 1369015 1010428 1288892 1375925 1181401 1568560 1045099 1248419 1039834 1651008 1242110 1433154 3150358 0 1143760 1315013 1251890 1722734 772449 1516267 1758138 1664240 1658342 413575 1432868 2537658 1798949 1447964 1031324 0 157814 1550236 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1195637 1397886 1482356 1472689 1421174 1568483 1523396 CL 74:10|CL 18:2_18:2_18:2_20:4 187114 0 0 122362 121511 112744 139534 130368 110724 152801 60291 110170 107030 124464 169843 100657 117105 159660 116598 70894 112579 118927 177149 69569 126856 62502 118905 183425 98414 167633 99038 162511 128232 154420 157443 179966 132381 143068 99897 179043 185842 146621 126409 149195 203301 139136 117682 167287 100984 195990 61133 161715 205441 226755 146501 28230 221643 288786 233677 173562 109751 127877 144384 211792 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95413 172808 166192 155330 182816 205259 178256 CL 74:7|CL 18:1_18:1_18:2_20:3 187274 0 8589 147206 13864 130235 214841 183718 198935 126867 115401 93464 0 102246 219570 150783 173078 169733 174668 118705 130184 106088 212905 180353 113996 55877 116229 230147 141950 172717 145963 205480 171000 106432 184028 180357 175779 186165 124269 159565 141443 186304 134619 133283 357470 10342 151060 179686 168096 241459 111896 192585 198986 213320 200542 20016 112693 330588 248288 180081 151511 0 21270 205645 0 0 0 0 0 0 0 0 0 0 0 0 0 0 97496 168108 221513 252886 233651 239236 245260 CL 74:7|CL 18:1_18:2_18:1_20:3 339992 12497 22913 239919 87060 340741 401731 311975 353977 284345 186955 232683 0 246310 413150 270374 227538 345675 287081 179875 311605 219597 393448 228921 184715 127166 225949 318696 325733 296299 255977 337258 308790 247069 350559 323219 290466 334330 250329 385615 212998 299523 352078 247939 684678 6203 304197 372945 302747 441321 223000 395432 377816 342014 389760 86865 222449 574582 562541 349183 284248 2954 67496 398592 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256927 324762 318101 401753 394568 433710 362953 CL 74:9|CL 18:1_18:2_18:2_20:4 164034 41274 0 112349 49373 80570 141380 112848 119635 89143 91359 91578 90030 95130 182270 93592 67891 87584 98274 63745 130380 66196 164203 64776 84455 31605 53240 162994 2137 120327 79368 103167 122965 82602 121292 95529 59064 105939 116116 99278 132702 122459 88829 74904 227886 130485 66897 162120 2034 149162 40972 116104 174456 127446 100879 8986 153089 199251 178391 125240 95572 115593 161597 155716 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9000 149223 122148 147970 196690 141275 141204 CL 74:9|CL 18:2_18:2_18:2_20:3 461130 2788 5529 328621 236761 417487 419614 349385 362861 448091 272752 352443 9052 365429 481111 261599 271739 362756 273802 261676 320813 262650 511672 239166 261353 195757 279127 433011 336764 427336 329112 360851 342188 295473 415683 396063 335046 370034 337029 338494 327157 363108 351152 394276 592971 10354 350934 359924 250015 502169 184960 391521 490351 525533 457115 55356 448590 725865 513551 359156 339105 7257 464359 425070 0 0 0 0 0 0 0 0 0 0 0 0 0 0 281660 348931 431672 400707 417879 480062 467829 CL 76:11|CL 18:1_18:2_18:2_22:6 816992 5330 92463 473262 243331 524760 663039 510990 670826 440365 380713 524955 16820 359745 644729 449074 397664 645636 485970 362255 802656 281532 513365 566550 263949 243683 292809 565446 677414 402922 340872 319019 373920 272024 495635 394527 349766 470146 228660 272805 213559 264939 391818 334090 2051246 0 418706 438496 180145 428317 279236 636763 590680 370813 586033 111176 311910 768340 891522 223891 638020 24849 407152 536796 0 0 0 0 0 0 0 0 0 0 0 0 0 0 386128 534233 598612 604950 637564 593494 661055 FA 14:1 104933 41850 68062 111385 60672 77551 93768 91132 88057 79254 98553 90897 62113 349402 100230 77295 97311 110678 45705 136662 82657 37701 97017 52700 70490 35172 59504 86611 53360 94437 98878 82673 78070 49595 100514 98628 76667 59659 99606 127422 82886 117742 87845 81998 187241 63856 31275 108880 35074 92138 54160 95273 101736 93698 95061 33802 127207 106840 102044 105580 42475 47678 35093 71390 154836 174009 162376 219956 211586 187322 195722 11636 66420 68299 31625 49975 98486 46488 79226 93553 99401 110274 131392 124377 108006 FA 16:1 6575925 2634656 4007877 5710681 3235523 3308538 4653043 3561918 4573988 6686758 6845464 4510803 3858631 6510667 6418444 4631624 7302622 6785059 3260438 9709297 4555030 2389152 4699604 2303418 4197824 1831944 3232424 4452024 1795912 4843481 5088628 3397696 3550500 2206776 3250934 4091695 2825544 2790610 4035406 3478858 3744008 4771740 2244660 3756957 14814735 2693996 1614649 4581273 1769948 3249549 3036530 3842347 3026159 4267322 3502004 3032216 4328151 4279417 3854376 3236717 1407865 1897915 1164241 2699884 3787318 4178950 4962022 5547931 5546454 5025794 4690723 89763 459034 426083 363360 436048 965046 308673 3380480 4502391 4740352 5312272 5514750 5738332 5318028 FA 17:1 846613 329175 400926 709913 404214 449460 583919 653690 459171 754047 572132 478144 359582 962847 618201 517215 704140 597696 325038 680400 446756 369383 635480 344497 460860 373493 476290 642333 342684 629449 549340 593529 447967 464320 553222 554189 382787 453489 578101 747518 635027 648143 378497 593242 1532523 343609 323548 514436 420768 731028 350222 499191 611268 745814 531149 261995 698548 706546 668325 529595 327160 270417 266168 426809 536952 512620 646012 695835 675525 689605 594449 14803 149847 97150 146281 173451 395108 254110 433069 581698 618054 624252 627519 648086 625283 FA 17:3 143316 193171 58650 213707 113867 234589 308687 271928 257214 376160 193805 66940 124715 58371 275728 131285 143944 256281 191426 183468 271867 184210 250233 206144 278168 154691 176588 274511 219526 276129 382975 418349 256581 158098 199932 324874 261243 327648 533672 295618 494239 539426 256972 387185 436485 149035 253561 231403 178050 387938 215364 299689 411789 441060 278333 108217 199076 364403 342511 427097 202685 187361 267574 265586 0 0 0 0 0 0 0 0 0 0 0 0 0 0 206273 263690 241797 270790 309217 317866 311140 FA 18:1 80913640 32688330 48393884 68389952 40885632 43690860 53179844 43174488 48312288 72997328 64507640 56876604 37179228 62171056 79622320 50931664 66808160 68510840 36948172 69600184 60008628 23866850 57458904 23398704 36533248 22420658 34854000 52042156 24084106 53309904 46933320 33619232 31899312 19006074 36386908 43490608 27142108 33845596 44820012 37483144 45608748 63172436 22671286 48602040 243682544 40548208 19711872 48189828 25543740 44612492 28335400 48997384 41355796 57001972 41459996 31280618 45077796 58802544 54593476 40664640 17997822 23647752 15997023 31270506 75434384 85855208 104645304 107719080 111365400 99756568 95233384 3967054 10863669 7820520 5420760 6820878 9439869 8118832 41364132 57060500 54105996 60782292 63932280 68595432 63103888 FA 18:2 1762282 1303772 995072 1417381 976525 1463328 1502846 1479906 1334374 1991235 1408263 1051607 1108778 1404680 1731457 1107795 1305634 1848793 1056152 1028719 1990264 962445 1643571 982320 1555919 1027766 1204078 1558214 1128366 1930231 2144744 1900830 1567034 1136561 1287567 1645241 1497790 1829936 2603510 2155486 2740697 2525567 1365680 3781898 5034503 1333462 1200750 2397460 1148799 2204101 1766304 3634930 1941103 3002816 2230618 1345369 1094672 2786302 2108025 2591826 1028716 2149798 1345489 1655130 5681056 6224972 6771070 7045298 7455540 6225424 6098599 77409 164239 121097 104928 88601 132375 143677 1532860 1761983 1952346 2061180 2225400 2195204 2098631 FA 18:3 1227073 694377 825270 1293314 751456 822175 1094910 844169 462226 1334020 1079053 622515 651290 1304133 1628643 549979 834191 622511 622068 486374 415457 527378 1295283 474223 805927 417719 814457 1076486 550441 1069106 1059632 812605 546653 465892 730760 966391 406777 841209 830149 920910 1326551 1223945 389103 864177 1409105 754663 356286 708700 651065 1092587 329014 561681 651738 1163457 666287 351284 846811 1251008 1238484 960080 324094 386932 249447 535722 2096416 2553419 2728776 2729250 2674730 2562609 2675990 69709 116562 17764 7497 61945 135736 11306 734348 939577 1017195 1097423 1145130 1188980 1111946 FA 18:5 338526 146662 135602 271208 156358 269863 325918 382097 264738 255008 330194 190236 187611 229974 315644 191631 227894 253684 196391 178638 270845 138506 365435 237567 237761 237218 292268 263723 248254 267053 266410 355163 314542 273185 327189 291530 246153 258269 382830 401078 306685 276948 214408 295540 482640 200810 286662 351909 334107 399729 152362 235522 403313 472531 327350 51054 294430 322709 415269 287639 285702 189322 239369 294107 45136 53926 40241 47941 44011 48182 39166 0 0 0 0 0 0 0 138688 230901 254686 248377 300762 267203 258791 FA 19:1 1078675 835548 1163564 762169 809788 697464 630772 513794 509700 869756 669654 881690 887047 644408 802543 808361 733725 824624 623479 780365 900066 369828 645198 273215 422640 356072 478788 543786 501968 611419 538587 502877 458663 262091 455919 508606 297768 565680 490012 470012 564245 642364 389226 619612 2672345 1209642 366566 679838 544907 511110 443988 989043 523525 657616 599201 423041 571026 629568 611440 571403 212133 659576 370249 389877 1484072 1195513 1273564 1312867 1143935 1038584 960348 192627 223456 155264 104668 136896 154296 137465 696051 857374 681739 740208 677426 724526 623374 FA 20:1 6045742 1754208 2795953 3402294 2249618 2410503 3199935 2776300 3384890 4966774 3656899 4457529 2525344 4726733 6303546 3406967 4852828 3160203 1927874 3155218 3303652 1592606 4777414 1326778 2150121 1323095 3414000 4011601 2364800 3912646 3206210 2776828 2486684 1616756 3250186 3292305 2178192 2862814 2465346 2422266 2703649 3465674 1386431 2302480 13868374 3155849 859119 3000055 1860708 3109442 1323133 2726161 2714680 3464680 2632778 1458049 3151514 4843670 4606122 3200533 1566073 2023847 1515497 2773560 1389018 1623901 1713549 1835844 1864281 1671849 1675083 132617 298988 225160 158018 202167 312091 232192 2689788 3369120 3798862 4061216 4312906 4112051 4111507 FA 20:3 6181586 2029296 1895027 3339692 2578259 2762996 3860454 3062219 2422542 4945826 3823246 3242216 1556539 3402053 4545686 2994422 3615328 2725773 1782944 2345496 2480153 2023572 4848006 1826770 2622214 1412723 3186567 4370420 1837726 3525200 3394915 2679588 2261639 1638765 3107964 2777898 1720445 2741168 2724831 2440799 3229582 3324718 1386382 2419308 5137536 2726985 1400703 2247796 1941486 3578743 1354891 2098843 2959024 3619415 1930857 971218 5631189 3797728 3201340 2554045 1514274 1397238 1324147 2531810 2793696 2950990 3536359 3693638 3580549 3510861 3127342 0 0 14232 5306 9183 12480 5171 2393208 3021909 3277960 3501970 3591441 3532358 3355844 FA 20:4 63387736 19512064 19465554 30859091 26320352 26586261 37017151 30308530 27452932 49536726 35971620 31896218 17305611 30146193 37265755 27407027 31710880 29716256 18824005 21948542 23929410 24110692 43490206 19943107 27140732 16288867 31621825 52084361 21671592 33160102 35417330 30138815 27367464 16780460 29938765 31746484 19880008 33380746 32638138 26312928 36131931 38592474 16798731 30614018 53996294 32205694 18228959 22656331 22060328 36578850 18459292 27807899 47726180 42155480 21247308 10248517 71758456 41731002 31738886 31930762 19081168 19436666 19291594 33637453 24467108 27835201 30904284 32863838 32125326 30669066 28387222 0 51085 49118 52979 65255 62229 68054 24801096 32829666 32195796 36275818 37937938 39737372 36166490 FA 20:5 1051473 762743 977756 1468739 897811 729093 1199112 1067522 966345 1678969 1287457 970573 706276 1449055 1952370 1400656 1246166 1019649 674688 1064922 1025043 837204 1451672 648915 1090660 391726 1057664 1209230 759967 1708814 1608503 1573185 1663189 1066798 1089244 1545912 1177407 1515386 1415088 1567730 2048038 1783265 693668 765862 3827404 923043 609249 901494 856715 1328795 655738 708320 1258317 1529052 952162 493551 1772164 1584372 1498120 1125326 560167 498633 427707 889602 1536206 1780877 2086927 2140710 2201094 2033248 1971767 0 4177 0 0 8395 0 5664 985990 1283919 1258521 1396790 1521634 1555840 1425845 FA 21:0 194325 111246 95769 155941 112846 136912 163362 192490 173273 173328 164387 131016 100650 219430 155198 129743 174107 186374 132484 170916 129650 140028 183834 155733 146424 150855 141089 192516 119817 160630 164847 208753 157409 171088 154714 158648 171564 149707 159172 177415 137199 138189 121782 174192 162071 93338 127690 166918 116822 146528 135190 108206 156271 166329 160668 125248 136841 168655 158171 148833 177952 97372 110296 148642 108678 133054 144959 175796 157206 181711 146038 158447 115699 140930 134603 163330 158653 147065 553832 667990 727924 796740 895504 814962 831263 FA 22:1 1384168 483267 500548 849774 585832 675257 888840 846227 661140 1133355 609480 700742 432989 1149775 967531 635443 929329 796587 379756 537896 551604 588603 1208351 507408 737385 536297 938999 1101379 503898 1055272 816978 823517 759372 619586 918859 866358 690793 737838 859409 908833 979586 946900 446717 634910 1331796 560950 360846 712007 582960 1049026 335295 622364 1003295 1084777 660614 269636 923606 1234900 1239374 1018806 576683 402100 430703 769106 354817 365213 389350 467122 492030 406785 457616 93856 214834 191133 211986 229651 269631 253372 632036 789452 880653 939506 978223 930934 924741 FA 22:2 439292 189903 190278 298132 231065 258545 328278 271033 157490 351952 244487 257627 105455 288800 328284 223740 346898 222241 103236 154038 161000 191572 509973 121772 288349 130971 361031 408820 194602 419345 334992 385126 358509 296552 344205 437286 275165 332353 419838 534079 581656 502108 220110 319510 434618 195396 195986 292787 369230 676552 166023 328499 503247 632636 330952 114072 316394 768207 639854 565535 218031 236649 240796 455131 30353 50584 75945 50774 58768 43769 55926 0 5568 0 8276 0 16411 0 264198 365891 379410 414757 412761 390077 428106 FA 22:3 360760 174235 147257 245928 179944 200789 265972 238320 185788 261607 251605 194933 105323 272752 254097 188774 250336 200466 127264 199674 158172 107491 346497 126287 187784 100098 191044 246169 116937 273606 258734 210938 175394 119220 155385 246682 147150 228296 318766 346453 445148 353702 265274 374438 392833 151235 174020 180594 227480 476624 180974 311875 450192 367280 210072 81374 297040 411200 316043 341373 148237 170203 172184 328255 12176 22431 22603 22444 24201 11892 22948 0 0 0 0 0 26092 0 190375 256190 266357 333653 319836 312345 307912 FA 22:4 7290214 2385190 2354816 4029560 3247543 3458840 4592431 3656240 3012340 5358633 4228087 3902444 1934509 3418864 4642628 3123819 4094440 3505752 2523491 3075154 3139253 2659860 5235640 2053212 3296787 1781427 3668514 5281968 1935126 4955800 3896612 3633787 3335653 2098508 3466741 4241942 2738167 3774399 4338680 4575014 6169079 5807180 3043824 4244273 6439864 3123585 2864294 3339274 3344594 7190334 2889035 4442361 6396558 6893522 3689820 1424026 5894160 6805032 4833809 4881754 2859526 2726982 2695050 5058079 962351 1041877 1220410 1321338 1362285 1155824 1114114 77882 104803 104153 125344 139535 117384 117174 3425508 4624791 4501930 4764614 5001396 5361140 4691892 FA 22:5 8047413 3026753 2628710 4663162 3831979 3850225 5161734 4540746 3740527 7335318 5148144 5059479 2692248 4629811 6097043 4238693 5535488 3965905 2715766 3403667 3769236 3388003 6687720 2468786 4243848 2097042 4981295 6855640 3093884 5948220 5391201 5267937 5439310 3178196 5108151 5296801 3570717 5258544 5815569 5124479 6028125 6385576 3517061 4423567 8060587 4325575 2973820 4159788 3766064 6825345 3129426 4912004 6820576 6845985 4105824 1882799 7099034 7191151 5516041 5548588 3178062 3022613 2895082 5509745 1621586 1736066 1879147 1982577 2108511 1952273 1743801 0 0 0 0 0 0 0 3906884 5150813 5350747 5951795 6010100 6403268 5684696 FA 24:1 1772930 704053 822075 1295730 856371 895115 1208213 1174842 713538 1739251 826229 984876 407261 1572519 1202138 759518 1456802 842520 494457 535365 573089 1159648 1803467 661934 1712663 634087 1525207 1776329 785233 2255760 1479249 2118084 2147334 1723969 1685259 1886531 1284688 1648803 1905882 2695851 2860339 2136484 898187 1160087 1577955 858858 708524 1389614 1171966 2407108 671874 1292748 1861588 2782835 1287370 394836 1553086 2872098 2658947 2179439 833330 736671 885709 1387868 411986 433842 475060 537397 506803 550064 460471 27579 55638 35386 23446 70159 74711 54284 1106319 1421686 1617160 1887248 1929115 1915654 1769589 FA 24:2 538725 218275 262947 365532 306678 288634 415441 387228 216541 504685 266868 313929 145841 368357 354699 238975 475343 318375 146323 180383 198403 330643 536003 211275 488705 215603 423527 472811 246199 759253 461322 716392 622802 590411 465626 663753 464166 613430 723809 878517 1120600 688747 412217 454368 575871 280324 323481 520649 478116 1070662 276060 557173 743425 1158282 493452 166453 429582 1264837 876241 879058 316990 308888 351408 613586 105877 101553 81892 135814 117733 107763 84591 0 0 0 0 0 6359 0 408710 545863 539508 578734 636959 634646 630333 FA 24:4 870299 405615 458531 538136 496999 458705 633596 529350 334273 770067 456918 491773 265039 372452 583839 377761 486585 460275 406162 351976 386284 353491 648393 370055 522955 228898 503151 670089 281452 749439 633710 583059 704911 446145 497302 752557 493224 580867 919413 1022044 1057384 1092644 683541 822296 867436 426685 587770 621381 625326 1433905 609257 1052832 1367583 1394104 725428 184189 651458 1230608 933366 965437 596564 542511 586988 1042535 44214 34506 58941 54659 75368 50890 81784 0 0 0 0 0 0 0 475329 688625 757963 868148 757178 926734 888517 FA 24:5 278819 134773 96532 179061 150545 242167 264093 216088 159393 205112 252309 202522 125107 148049 241524 156978 196120 188782 154218 216740 193537 108688 292796 95389 138023 89606 131803 179622 76404 283943 239622 195648 146347 126971 146687 220508 165987 212011 298590 295913 450145 354979 264691 350312 354149 130951 219673 191097 256155 628260 241562 375641 548085 534836 286997 77760 153986 523546 368720 383149 241279 221789 274424 439566 16838 13606 18101 22519 31523 23589 14297 0 0 0 0 0 0 0 202859 265430 278442 315622 291877 324486 285115 GlcCer d40:1 37979 0 27201 15282 9594 7554 26857 10299 0 38406 12641 49106 35608 8409 23845 34654 0 7090 21922 0 33154 7540 37404 0 9382 0 7307 10034 33708 22122 0 40951 26095 14512 8323 22255 17014 45043 24219 30411 38637 28886 27342 19472 226145 78420 21390 22588 11167 35616 14446 75535 67159 48248 32792 0 10346 51010 133425 60358 9250 53770 42810 39448 21522 7011 9490 33181 18992 9440 0 0 0 0 0 0 0 0 35727 48682 26329 34621 38323 50684 66800 GlcCer d41:1 338787 213415 399177 220504 242790 256298 313855 188414 176005 267162 157543 403989 385948 203554 404391 366591 283056 207160 226868 185895 334541 157391 322236 158278 218931 113718 288410 206292 375030 395154 299136 347602 410677 271482 212127 269912 272472 352647 321947 406048 409860 389859 314318 249880 1940277 589818 327826 256858 255882 444878 261717 510960 481109 507097 442012 142168 181591 512989 938209 438783 239413 486112 460923 423421 120908 107483 113731 142812 148655 114432 104406 0 0 0 0 0 0 0 409476 370665 350598 392998 365491 393272 364647 Hex2Cer 34:1;2O 10781 0 0 0 9651 0 13387 0 0 10907 0 0 0 0 15358 13254 0 0 0 11514 0 0 0 9614 0 0 18171 18617 0 71362 52512 66747 49442 88428 0 135648 67345 45117 106915 129608 161362 138375 95078 0 31682 0 57008 60440 63185 192258 78869 102918 234923 133641 93130 19918 11390 112623 46736 84756 132253 75467 79712 158646 556087 613910 654360 753237 674961 699497 669722 0 0 0 0 0 0 0 53218 55723 51478 64437 63288 47622 53682 HexCer 40:1;3O|HexCer 16:1;2O/24:0;O 244944 101716 216017 83109 96691 187658 231380 174256 186099 186378 101876 323452 232815 143266 360690 256685 212952 191492 169846 233276 251003 64077 286123 158973 77570 87405 188323 178626 284206 105063 95141 50686 58035 17021 152560 65695 99356 75851 76592 60954 54341 194801 148381 109576 1356084 285305 125997 192900 50416 175390 150500 191535 365006 192196 186384 79620 25800 325314 560818 147524 161061 233833 259781 317638 8394 10404 54294 12528 8204 11936 21415 0 0 0 0 0 0 0 166888 231582 215860 257568 271749 279813 206085 LPC 16:1 0 4511 11187 31110 0 5293 0 6186 4872 12457 0 5438 0 5443 22034 8134 9705 0 0 0 0 0 6796 5000 18668 0 5875 26054 0 40811 48066 45947 18250 14545 16059 31571 37466 14506 29673 29428 33026 52472 0 5929 52927 4988 0 7195 0 20609 0 6030 6391 18977 7172 0 17986 25790 43088 11178 0 0 0 0 249415 328858 390938 405239 366906 392258 373987 0 0 0 0 0 0 0 0 8459 8137 16725 8294 22324 22067 LPC 17:0 101283 96430 67461 179511 80092 88157 135055 146938 95386 194672 67389 66413 28048 173248 149732 64799 128046 90604 32347 7214 51183 110090 157957 69151 112074 62755 164891 232422 112795 211901 193058 185998 143460 146952 190465 178004 146409 221619 161341 173277 254951 209641 82403 89140 188953 56931 62304 98540 68009 140637 17886 43420 100115 167301 140431 21985 183997 226950 241289 162924 51805 38738 67593 69078 282770 389124 422362 507508 496011 428146 439515 0 0 0 0 0 0 0 88108 135609 159013 165110 172361 160328 149720 LPC 20:0 290554 33512 51225 88300 35411 42660 69021 82293 162432 518935 176418 159513 82438 498484 353257 178656 427972 49082 0 19176 29190 53443 429105 17214 95320 16323 371849 613181 257195 450982 420577 437810 322942 327964 560142 302985 308055 398950 68766 94663 129217 61303 27854 66517 96810 183169 0 42670 49314 77626 6348 22381 54045 90441 86734 68260 131940 435545 574509 388746 164523 126261 107388 198772 74852 82591 80797 110005 82637 103959 43030 0 0 0 0 0 0 0 131228 189433 228445 203732 249820 247783 285660 LPC 20:4 108823 73303 72034 171083 61410 81717 111580 137535 85270 180105 87558 44796 22285 148464 131952 92968 108010 116200 53161 93788 63882 94901 120860 76568 110132 50608 107426 186791 64569 133187 168548 118674 91547 91009 107081 120116 117867 131487 147055 103485 178624 175926 37376 71080 226191 41819 28508 41137 24610 104938 21082 49993 59924 118293 106297 7358 103274 120924 130610 92354 26627 10036 27271 33732 128393 161104 198357 239831 213395 213279 198194 0 0 0 0 0 0 0 76567 83171 111242 115250 126202 135064 104403 LPC 24:0 177426 109398 76997 247585 84235 88568 135601 162069 113780 304149 57664 84002 31857 216452 158005 71289 183912 85666 21334 41825 45812 170101 179993 92506 211379 66122 191886 252669 121660 224202 232137 168394 218799 142499 244495 167467 161350 161072 155157 191254 230014 185100 60710 100125 157744 111830 49020 92118 87834 171941 38888 79182 82220 169896 124411 17969 232965 199003 252227 143088 32259 58140 70811 82277 0 9070 25237 22929 0 17709 24756 0 0 0 0 0 0 0 112438 141651 162796 183637 196467 205298 178652 LPC O-16:0 160385 92239 70900 143542 108375 77182 134195 111250 117869 190328 76927 76745 26695 133028 147917 72385 142055 98048 55769 49855 65190 125285 145643 77066 179071 70026 146914 239780 73705 448804 343458 377804 387988 387250 152880 420818 285547 308088 392342 451734 664715 616323 279081 317776 394338 50920 212357 251440 173743 455098 196840 248906 545374 565957 297316 113493 172194 718049 378429 418296 227318 189291 191856 367515 440419 510735 576218 616417 588797 543342 542678 0 0 0 0 0 0 0 195895 257638 290026 318022 279802 299701 271373 LPE 16:0 1276425 1423524 1199208 2414998 1572536 1109075 1458196 1461078 1052049 2553520 1002233 899401 472703 1830097 1690650 1038494 1811987 924311 570243 542311 622804 1607610 1772425 800994 2022732 795518 1795527 2669517 1351740 2520429 2640334 2364617 2480887 2088391 2018487 2024420 1816094 2137232 2288455 1895386 2820826 2447803 862836 1237254 2092135 1157499 644336 1273117 1347624 1854317 541245 785600 1040663 2055612 1508934 692795 2609445 2588884 2738645 1984978 553459 718857 661284 930332 548885 716415 748539 794801 796323 699076 636718 0 0 0 5600 0 0 0 1387607 1653402 1617546 1945377 1961976 1928611 1894951 LPE 18:0 2558439 1743548 1744138 2769657 1987694 1818263 2422372 2259160 1801878 2926537 1460386 1958201 1044077 2258530 2588190 1642508 2012029 1553191 1316136 1247724 1483031 2032786 2648740 1381694 2373924 1229978 2378871 3317425 1911702 3917534 3291858 3314309 3335304 2787214 2661287 3028460 2405004 3002580 3263736 3349446 4097102 3981871 2086386 2414772 4523186 2021997 1672010 2400749 2191379 3826265 1399556 2188911 3175517 3816959 2749782 1033380 2914068 4322178 3937868 3247500 1666634 1911916 1902349 2388142 1021603 1082407 1227150 1317498 1327902 1237220 1084462 0 0 0 0 0 0 0 2238142 2742222 2817205 3090957 3232230 3202514 3014917 LPE 18:1 631281 282538 306949 467849 278363 277208 331765 412303 311823 654863 284042 260137 161166 499210 457468 320227 473191 284565 152483 223977 247076 305236 466907 235474 390317 252968 425136 542485 262673 488367 432030 388895 326420 264800 469078 281576 291417 313935 337006 228903 369634 310252 103070 143395 553675 287195 94219 183253 140295 208578 78037 116423 149711 248804 197725 80936 489297 267039 420482 183146 120437 76263 88307 120530 33907 13788 42030 35197 50759 42401 38873 0 0 0 0 0 0 0 258433 309770 329699 358739 374185 338375 341434 LPE 20:4 1732662 838168 885516 1583466 862484 1008674 1296299 1456450 1014499 1991489 976317 697797 468224 1435688 1224860 831906 1194561 1012790 571108 729595 730548 1064058 1393900 916884 1428675 835652 1295126 1789689 770739 1957651 1729561 1477126 1258824 1198405 1451048 1302097 1237383 1325317 1536443 1300988 1550986 1429877 552858 803729 1272236 887267 579504 757476 695382 1140761 472211 644767 686160 1253816 978204 390032 1334298 1210160 1209848 914689 558786 389585 476477 572421 69261 62532 101729 92664 108507 124837 106105 0 0 0 0 0 0 0 931135 1065466 1148957 1320891 1371221 1310753 1258617 LPE 22:4 607721 265328 312058 562926 313887 254760 299923 360977 181496 680420 172785 177939 79638 460123 248644 192331 444984 209358 77958 116067 143722 384645 367330 207704 506904 258082 422664 571484 237325 582561 469692 439652 332363 354824 488857 345385 355010 328077 405917 339508 512147 379849 109325 165336 173125 268430 131543 188064 217983 339223 92087 146643 145218 333572 231588 84326 535040 334624 369145 261794 109938 79630 101078 134634 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222318 317558 336153 355487 367720 334900 343078 LPE 22:6 1230668 587698 624065 1065293 581866 627861 842642 988918 698620 1504066 679413 478150 354770 1080455 925612 618847 912916 700301 380746 526572 506094 740483 980404 630864 998789 553572 965870 1337072 603443 1385106 1193540 1020030 956874 799294 1115352 932391 933484 1017310 936100 785220 1078756 929835 363044 434270 1070640 629815 332426 470482 542755 632099 329816 358905 367118 696209 545789 326458 1000940 765738 952652 602618 333708 302257 266696 417807 18450 59130 61018 60185 44501 74975 24185 0 0 4728 6234 0 0 6730 656267 698785 797980 891671 951618 979321 851608 LPG 16:0 159135 129248 113861 201587 146732 80080 108411 93554 34764 243222 73957 67849 8633 168516 137081 85196 159839 59027 10506 15027 8058 165590 136886 39254 218800 57821 158466 233038 94363 173891 209840 128604 155158 153900 160788 126648 126825 168453 131727 176640 195765 156431 14135 62754 73532 92800 10236 82693 107252 118781 21741 16708 30626 166059 84477 71650 204220 178207 177674 134372 11077 5256 12905 23375 0 0 0 0 0 0 0 0 0 0 0 0 0 0 97969 121026 131764 130774 125464 124997 124640 LPI 18:0 968268 509711 497306 713638 538470 547480 680121 623332 460258 1177284 492114 722731 285800 635875 726856 491458 679557 448088 307580 282219 303990 542237 845192 283192 582711 238751 959523 1187333 595244 1057142 679322 757305 1006150 749265 783778 785888 588848 776315 705842 891412 929147 928647 445132 594519 1092579 348414 354490 622488 628904 956801 533489 678060 1068217 1321323 502815 324178 918748 1277731 1001009 1124668 459190 489219 486730 863570 206067 214647 224104 228745 342255 222359 212998 0 0 0 0 0 0 0 614768 786816 776264 822557 847109 895908 801827 LPI 20:4 192318 119977 109123 225456 131773 132750 164232 133172 149180 215684 146307 123071 65321 124279 227341 158313 221374 169861 107825 124988 126930 109615 187618 63157 183886 71451 202328 179418 99669 237587 227664 290946 205879 181535 180051 252084 137774 220538 202755 290697 300440 299105 140581 181097 540153 122376 107978 132612 118528 240638 105678 194572 168359 261754 204322 67356 156440 233952 261221 191913 138635 118934 97967 197730 94889 118843 97941 139035 167635 95274 98069 0 0 0 0 14620 8848 0 145518 211143 196445 202871 222172 242700 204636 LPS 18:0 255950 117970 118371 225691 146214 113717 157740 163803 139848 260922 145641 198626 67881 188468 165765 108525 177335 117753 78761 69986 61309 154818 217937 81451 188870 65387 221011 269966 126657 298390 179362 209115 264766 187000 203707 218641 196012 171544 201509 272051 221445 216818 74396 127487 192934 130242 71512 167420 154788 240360 77078 183389 163738 306773 145586 49507 322438 270967 253856 250454 129197 101642 107547 136548 0 0 0 0 0 0 0 0 0 0 0 0 0 0 149397 185193 179843 213874 238963 219128 224233 O1_FA 18:3 33223 16910 13474 10340 30475 10679 21771 13536 21192 24367 17686 17308 9560 30040 0 12916 10202 26962 12029 0 14819 0 6640 0 31508 13974 7662 44754 28569 26572 52117 42800 0 0 25341 34058 16288 59342 98457 68867 65913 73339 22468 284424 340158 20038 20179 140747 62194 83723 88042 180957 60822 163904 57246 68306 0 95639 30965 139087 0 104340 35969 74198 322680 304324 319605 283093 423253 391242 413973 0 0 0 0 0 0 9333 32299 49180 42064 64413 21456 90265 43113 O1_FA 22:6 1380664 369216 219892 370470 412875 575303 439999 583281 434647 968319 588992 779045 326709 357921 435331 247079 529205 283761 351840 236016 385477 357628 808819 227608 491833 288987 745033 1489153 811482 773793 553434 600135 648624 320926 744161 386456 404406 449090 888846 513000 355185 833797 462203 1894441 1524763 900447 443053 1249448 708417 1302246 1478322 2591718 1812734 1332714 502658 445558 493231 982875 441176 1100952 914474 1798623 1286370 2003747 795174 860699 993498 960638 1063145 866426 875573 0 0 0 0 0 0 0 691377 796383 878803 998213 1004783 949130 940831 O1_GlcCer d38:1 1905490 2674756 2212133 2269888 2137500 1699026 1654330 1667196 1009503 2233158 941436 1316632 1149209 1630468 1651892 1376283 1653415 1317306 970700 724165 1077608 2455911 1531582 1267317 2156140 1452012 2235067 1942848 2205656 2103635 1957460 2350609 2040290 1998082 2125334 1684596 1512306 2197059 1646298 1737689 2365333 1795699 1637146 1461417 1706050 2567888 1428924 1437204 1948424 1916770 1157499 1659424 1463353 1748293 1875222 699789 2600228 1899994 2177552 1834932 962091 1784521 1518886 1469315 193800 160747 173804 182144 164380 163002 135700 0 0 0 0 0 0 0 2002516 1804809 1801793 1889398 1894188 1771296 1769241 O1_GlcCer d40:1 2079744 1059197 1710223 1020505 809537 1468415 1832168 1419220 1457871 1761366 1152561 2493131 1802547 1277032 2973685 2159767 1689946 1656495 1566574 1872953 2304251 808992 2298857 1266270 890396 966400 1605210 1304413 1980790 992192 1075844 761309 918608 569873 1314923 910666 866343 907341 725025 772639 879740 1615880 1254381 1047979 9357127 2416433 1092043 1588149 706552 1646915 1371123 1679390 2754717 1633338 1540248 851612 885002 2192728 4044176 1236033 1553260 1808131 1833510 2615713 15076 108074 134683 47317 173522 0 110608 0 0 0 0 0 0 0 1562408 1941264 1853262 1979488 2031607 2109891 1980317 O1_GlcCer d41:1 930267 251788 705247 366128 353165 634694 803235 645320 603494 702878 447287 1119257 730678 503847 1265828 863114 672163 652102 725797 843309 996805 238608 987878 538047 252797 365803 571009 443066 839619 367802 328652 219178 271216 176403 527374 351764 307030 286947 301638 282703 218379 617616 527802 529427 3351705 798931 386152 661372 199733 753548 580854 663490 1244527 726449 649316 297095 150424 1103661 1591498 498806 536218 680192 777580 1147142 27809 44055 39534 19094 39087 52649 50958 0 0 0 0 0 0 0 582747 674137 706940 864637 905334 887292 889921 O1_GlcCer d42:1 3202663 1214227 2778352 1200028 1426116 2641184 3076085 2208797 2408472 2748198 1812063 4539667 3035866 2017547 4860731 3610702 2815217 2570491 2691245 3285255 3794603 944939 3418729 2087171 946701 1459202 2565874 1922158 3580036 1463871 1451009 932621 1092204 627224 1949141 1340340 1198128 1225200 1144629 1059910 949214 2646674 2219398 1876657 15352177 3688716 1619819 2614570 935664 3099070 2209441 2672448 5124806 2609530 2666765 1327881 674913 4503887 7095306 2008967 2470846 2890375 3036320 4322923 70731 132832 144146 163183 115641 145015 120227 0 0 0 0 0 0 0 2562330 2904494 3027251 3324801 3563348 3533848 3492032 O1_GlcCer d42:2 197794 41394 152221 49663 45612 129035 145048 121290 147342 153736 77410 222137 161290 103451 291666 203909 162123 164552 142163 177268 202400 34662 209427 114322 63357 51512 133136 113830 216298 94159 85028 38116 58486 34093 125524 105996 57180 58520 57168 69275 51016 168504 133654 130031 965457 202895 107059 146043 51991 159672 106656 153192 282610 171941 149020 60640 25587 247165 342971 123230 149246 143213 170413 220245 24453 37268 46852 41241 37515 18779 33302 0 0 0 0 0 0 0 161368 151135 152466 208347 178626 188970 175910 O1_PC 36:4 58684 8573 1988 34316 0 12825 48723 81524 47677 57737 20563 10292 8841 34154 37663 17622 28144 35181 0 0 26842 22979 61832 27620 24867 0 19724 56774 29413 110907 40882 52988 33252 15746 49420 50866 28914 44003 19206 11708 38219 30538 0 0 0 0 0 0 0 9462 0 0 0 10402 0 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65858 90133 72364 99151 61991 54293 105349 58803 0 50702 27322 67183 22398 0 6406 21940 0 20310 0 77620 35173 0 17931 57060 32924 39811 0 21238 7442 31559 0 0 0 0 0 0 0 0 0 0 0 0 0 0 45282 49831 53903 91574 77841 61928 89198 O1_PE p-36:4 228864 172222 165507 272761 213109 80480 188667 141622 71414 407208 70038 155707 82748 270520 287304 106428 150625 105191 23066 11148 45006 192389 201432 29047 226432 37062 350399 330037 351678 460413 307746 479565 312644 287648 412236 256010 201811 456368 221257 288016 397185 401293 124895 187211 767473 324153 86092 198375 184614 299525 15219 218890 225748 237867 219002 0 336078 534322 513854 288241 27030 155080 191623 165370 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230923 242046 260844 417833 360121 301424 302953 O1_SM d34:1 3001066 2064684 2072945 3769430 2679695 2059920 2671478 2561490 1565892 3974737 1533719 1759251 745622 3224138 2211994 1552004 3078800 2219155 1204370 1273274 1429722 3301437 2752654 2108908 4156504 2084815 3458572 3619406 1859686 3039279 3096050 2313220 2896168 2554223 3223091 2198330 2325826 2575960 3013761 2438606 3453490 2708742 1296503 2299578 1912232 2005960 1060460 2105835 1991874 2421419 949854 1513586 1523321 2587003 1991675 954910 3762289 2568461 2809018 2131446 1153423 773782 951468 1387369 129746 134894 151327 169698 208299 160084 155761 0 0 0 0 0 0 0 1918282 2237826 2624795 2708196 2728596 2807948 2858074 O2_FA 20:1 399476 141360 219766 347052 202653 204064 291626 247702 232707 369201 308736 270222 157384 291996 364398 236149 301611 379350 172233 318743 280389 103761 279458 118680 179626 105098 190739 236302 99343 261195 249442 181867 167530 115141 202235 235727 137975 169881 237534 193357 242422 299788 119984 246215 1048854 152099 89447 262740 115797 196296 107633 206703 219106 308418 190449 157491 200555 305777 266569 195555 121443 117208 64593 169190 335212 393617 533900 557155 516478 473181 446711 12088 50090 30132 32972 47825 63003 52908 219436 255454 276140 280678 310072 333179 301493 O2_FA 24:1 210220 133237 140412 297167 177547 282602 217718 262366 158471 199528 181908 155908 189225 2474415 276385 121341 311276 187502 247588 239302 238327 255064 230704 186973 157479 389451 200960 178663 161845 228208 233458 204553 522980 216828 406012 368649 167828 241823 196773 283314 186276 369430 199898 424598 348784 310104 246899 301181 137372 312010 130850 493909 279755 407678 227972 81679 295389 169647 387245 172736 202966 236344 193956 282020 198619 270924 208151 194197 207649 201817 288249 1208726 438269 270420 175452 359142 298280 220684 285817 245250 333331 317235 280815 271241 258265 O3_PE p-40:6 204048 132329 138324 198168 181793 164134 216354 185066 200227 216919 221496 199425 171613 234893 299846 200161 206566 255610 184088 169326 238307 138938 216360 198786 203867 131974 183447 232196 227536 219717 197134 212390 227137 207088 217219 225659 229970 187803 219473 255449 183011 263934 146186 190486 562661 203479 132444 291784 129158 263050 142709 210377 208733 215599 222227 190193 187227 325255 236243 189360 202812 207524 225207 224889 0 0 0 10674 11562 26298 27942 0 0 0 0 0 0 0 177026 223555 205570 222537 299719 245392 236448 PA 32:0|PA 16:0_16:0 388610 28713 100927 526951 192963 203451 282698 407087 213018 609479 69006 132777 0 286987 317747 131880 446814 230291 35849 113405 58536 435505 449248 194372 573959 217140 439565 649476 84883 385156 419235 292428 300660 272603 586015 289872 316591 298454 471422 479749 476766 427658 93556 203288 181110 0 39981 229149 118597 391296 25176 63534 194329 411033 210547 83646 462073 414167 533058 337413 130436 0 4047 161401 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155471 242336 298144 361702 379091 365875 333929 PA 32:1|PA 16:0_16:1 204989 26299 57291 447714 202906 113348 212561 204969 140249 563029 63178 26864 0 220427 208516 123611 347389 153813 10532 11070 32495 328166 254280 123830 419662 121541 327497 489402 86756 262746 330116 285814 277505 187608 480263 232101 213592 290795 331924 256515 333028 281884 46104 90227 132079 2170 10818 121427 78866 245840 12520 58288 65120 206760 183296 54094 424390 322782 391778 197945 34800 0 7222 72301 0 0 0 0 0 0 0 0 0 0 0 0 0 0 150352 177831 200009 254149 273548 276229 249125 PA 34:2|PA 16:0_18:2 266089 37046 64845 482504 197987 229642 281179 311053 240618 628752 74862 136089 0 263852 385530 163809 378111 234248 77846 83173 90267 284288 395497 176461 356172 165176 369639 577429 194977 427607 480180 440471 283441 257382 498107 287168 336149 368436 382084 430147 437142 402795 97111 190236 292501 3594 59832 256982 90403 441798 10402 111191 229730 407423 262791 108222 314871 486465 502481 343176 138895 2225 55809 238900 0 0 0 0 0 0 7514 0 0 0 0 0 0 0 190430 265527 296128 330499 383785 383254 340654 PA 36:4|PA 16:0_20:4 181732 29059 54088 541483 267759 205400 334712 379913 272157 583073 123406 119682 3193 232718 376780 184670 343046 279811 145380 162256 134696 396002 422478 203235 459011 188165 343215 550592 207239 414170 495894 504557 409466 256884 478161 370602 332275 441044 615681 519216 594720 596110 211014 276393 358641 6526 160367 299362 261455 567326 106146 257543 352419 547131 363444 107504 382280 675018 647242 470166 197352 0 176369 328521 0 0 0 0 0 0 0 0 0 0 0 0 0 0 235732 316567 369584 416871 455250 449821 435884 PA 38:4|PA 18:0_20:4 486833 3998 115404 1067146 218063 325527 437092 562261 366499 1166859 151019 150378 0 583625 601086 225103 659697 414464 93842 156365 157013 465963 625996 316874 862528 245390 665628 1157766 144259 972097 918032 695602 480750 378501 821935 482745 549744 595766 821629 800171 938956 799576 115893 277399 494848 0 47876 373941 75605 694799 18583 106746 423653 775902 395114 86180 768361 948949 946864 516659 210200 10660 15826 315181 0 0 0 0 0 0 0 0 0 0 7285 0 0 0 171966 347609 511734 712245 671190 722551 830829 PC 33:1 5855912 8093992 7670250 6110175 7207618 5505804 5979946 5507281 4798238 6964966 4426705 5632580 7213488 5884483 6072018 6073072 5415704 5251000 5347030 3937136 4928868 6986820 5644528 5010475 6627803 5194270 6863466 5484793 7237686 6708936 6543280 7223742 6684304 6867800 6566287 6314790 5648580 7476384 5616467 6494624 6923121 5923449 5978016 5701572 5336575 10619098 5311231 5500356 7188932 5792016 4751022 6939824 5382329 6340757 6137750 3839884 6855941 5554654 6394142 6084280 4044399 7648804 6630874 5056626 5769384 6017474 5329756 5429294 5226774 4947286 4470382 0 0 0 0 0 0 0 7246746 6618119 6105434 5972985 5778136 5531318 5892420 PC 35:1 3170255 3509988 3503164 3140003 3567577 3037886 3227550 2867792 2205435 3682084 2390504 2762504 3671892 2926642 3127941 2881141 3114990 2900322 2555224 2024896 2954888 3108894 2966759 2456167 2937511 2321352 3268540 2986077 3360208 2991280 2996402 3121653 3305815 2936099 3328550 3122627 2352222 3390078 2594540 2653033 3083514 2713668 2620944 2779176 3537984 5177086 2517138 2630126 3123080 2649546 2022143 3258667 2538576 2679364 2803917 1422853 3041479 3000864 3212586 2617285 1948823 3291525 3006214 2468633 1603031 1464105 1440292 1316357 1247464 1160043 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36:1 7927254 4047544 4641092 7163256 5102781 6393336 8261550 7745902 7333397 9589848 6655279 6932542 4813611 7893167 8751457 6039936 7110776 8415128 6111757 7784384 6954364 6393224 9187574 6981632 6553114 6236030 7064059 8434522 5025552 7800960 7025692 5709484 5701731 5104423 8416210 5942313 6027834 5472054 6481110 5893808 6860944 6466906 4971280 6413304 7926808 4785839 4730117 7211320 4661125 7956058 4301288 5429526 7202788 7203625 6676862 3175586 6544966 8466138 7410080 5748808 5983958 4187168 5107952 6666524 3780234 4367576 4802868 5343222 5007778 5339390 4657594 0 0 0 0 0 0 0 5455355 6832758 6836698 7788598 8343410 8041911 7669854 SM 36:2 993281 549677 515041 959578 709368 807894 911226 889700 724723 1068852 670468 809772 512281 943642 930968 577176 759005 815133 685120 663039 663532 774414 1054720 716406 783774 560295 938173 1115843 624035 903739 699182 624841 697250 573705 1017965 620115 515129 648740 730952 650513 731086 760085 521953 693665 955704 658474 509888 745246 487981 917627 413538 689876 915594 801958 704085 279601 1004589 1088594 897193 719402 536344 466836 626447 730974 1578584 1703149 2055785 2232102 2142775 2101830 1916990 0 0 0 0 0 0 0 666327 694956 911141 927630 1054349 971229 935586 SM 38:2 696366 349618 364584 553944 362181 389937 595173 557323 611714 713573 530363 550631 413110 629693 607661 473172 611973 503409 438565 508642 465076 470560 724093 473909 478043 394925 623716 714547 397627 481790 466722 448443 432659 382036 757771 381838 339539 403800 366255 345082 409139 341242 263607 292390 490566 436687 232038 388154 291622 541377 234635 357737 427785 374464 347098 230174 480980 556150 668771 371747 435056 264535 327010 425478 858684 1036319 1199486 1277053 1225406 1145612 1082592 0 0 0 0 0 0 0 352148 405765 485652 533685 571489 567109 552072 SM 40:3 122842 51799 79805 164513 112416 78241 132812 111932 59604 164462 39461 80555 36147 133570 133569 73924 108069 90585 64573 48144 56459 132709 161992 81430 168624 58873 98408 199339 46025 184996 140067 123634 102514 129339 151073 99523 97691 123530 140758 157678 185921 161555 67807 116279 82053 73653 45534 62001 50849 142068 46976 58663 91280 147053 136905 61018 166392 169291 176605 141716 49362 33229 52436 71859 221646 241986 265924 294877 279655 250188 253871 0 0 0 0 0 0 0 107786 118201 121243 120628 144862 124017 190264 SM d37:1 1838513 1461655 1345200 1309285 1296821 1397229 1489795 1165678 1236561 1793195 1057632 1512400 1680146 1591271 1509110 1350721 1270496 1262890 1172071 945780 1308776 1473100 1677331 1182406 1475357 991179 1549444 1604126 1587065 1473408 1497112 1509915 1341999 1202074 1625634 1267338 1023518 1577896 1025973 921424 1240144 1008597 1028228 963011 1270487 2428436 913397 1192176 1234177 1338897 813705 1325156 1184315 1206367 1088856 486362 1347207 1484061 1380714 1168020 890969 1527193 1541288 1059907 885738 842572 837590 788782 834888 789427 599843 0 0 0 0 0 0 0 1344609 1389537 1470675 1471211 1325403 1309306 1186583 SM d38:1 306567 253664 191237 200110 183880 179416 199610 179426 149638 327044 107540 190833 228765 284098 204592 159629 210542 169046 118397 76343 156242 221035 297072 121875 178251 103975 299452 305197 228378 236983 185474 258573 196948 214309 381105 181464 131427 328489 114838 129071 194377 148670 108870 91579 193034 349863 98115 140045 200254 173289 62808 141259 125516 159337 138909 48123 288460 224672 291399 177182 83546 198060 152217 121337 280791 304334 299566 273186 251071 242254 262900 0 0 0 0 0 0 0 164787 216457 192721 227664 200536 201744 184187 SM d39:2 155819 186915 173167 147104 147010 117054 140048 101985 42715 181551 82668 134268 112335 172591 113894 80795 134319 90022 70762 42707 96379 157990 141380 68440 159911 83040 176648 166881 139874 164842 142534 212657 144906 160407 163480 157971 125508 147607 101461 152811 164807 168473 92162 87312 115353 231573 74875 115214 152070 114776 42707 121353 104789 131669 111236 26317 198139 164280 161726 134865 47002 150469 128563 59098 316008 295086 315219 282603 296634 308916 223510 0 0 0 0 0 0 0 137633 152280 159663 137116 92693 114706 133826 SM d40:1 1095262 875676 896926 879771 807250 656351 873995 740018 566453 1324058 517768 785053 786288 1036698 790440 689247 758917 654147 467517 376958 663952 892616 980625 515193 925100 491618 1108231 1063125 938469 1022618 860322 901810 847014 858290 1120965 672973 614006 1130986 646052 683547 997209 686911 430917 508262 927504 1536283 449262 704699 709964 790148 325848 562608 477656 688207 697986 264266 1141034 1014034 1136085 774458 380397 678195 589510 483618 948011 862717 829756 843194 801318 722713 662901 0 0 0 0 0 0 0 800849 816170 874884 890676 845013 774127 893258 SM d40:2 139944 202007 170065 156042 157035 118535 157523 118081 58875 222578 68247 116770 115035 183459 104162 111295 159318 108549 58935 51194 95845 169283 143256 68428 157742 112008 163377 176290 151736 202430 139892 195856 153461 169191 216365 132296 99459 189138 140677 121078 182402 125608 85873 88912 87092 206938 77120 76455 140582 140098 32321 90278 49620 126969 140545 18159 202446 138618 153111 121461 50468 99602 88578 53778 223472 210882 232268 228763 203203 183917 186479 0 0 0 0 0 0 0 117604 154647 131971 159777 132295 155305 135768 SM d41:2 899291 1174909 847508 1127348 837420 680226 799210 737087 532087 1171344 482529 614782 557531 926494 699114 550658 835432 603907 395688 283381 481445 987103 822681 566183 1012277 574830 1074488 989981 840516 1107115 906601 998806 929680 846302 1018905 736470 584355 1059878 811903 828984 1061045 912353 493006 640092 513918 1334064 482025 619990 761255 751183 305479 684795 463875 720665 704776 236475 1191860 828983 975817 846329 339786 586192 469729 434966 1070039 966453 923369 1060623 957444 892869 703272 0 0 0 0 0 0 0 758466 838456 868550 875176 858742 754127 729633 SM d43:2 72872 95865 59578 74639 74597 93135 113258 85680 87442 112735 86510 65587 120214 73726 131642 87856 84367 75942 79861 46573 67018 70899 124355 34006 92790 58751 87653 91002 54447 114629 92814 135650 102701 98096 108850 99132 48257 118751 92100 103192 88854 85340 70501 79538 47634 127754 75909 57750 59957 78676 19990 56830 68715 81242 67922 0 92153 78564 88560 91968 46561 91670 74112 34363 0 0 0 6725 0 0 0 0 0 0 0 0 0 0 61600 101798 98196 105753 89496 93935 74951 ST 27:1 8493013 74366 660432 16562592 9950439 7098824 9123608 9810909 4139424 12924680 4623573 4101260 43811 11617612 6934202 4281858 7471451 7469470 2406858 2700120 3473957 10792565 7838198 5937276 14823954 5675853 9880230 12209575 4940326 11879953 9817722 10091925 8987684 8711551 11065324 8526837 6413146 9541257 11913296 12007473 16047254 12593437 5120908 7377798 7332270 70810 5601704 8479770 2185228 13132654 3546844 6499576 8155286 11978288 8901359 2580354 14520256 10075142 11910149 8348062 3607108 30439 681493 4098700 2619522 2813329 3120021 3424416 3564626 3090367 2925483 0 281976 169325 110418 263681 502043 261913 7073718 9141631 8829161 10027252 9999448 10295144 9616745 ST 28:1 123078 193233 162147 279059 185699 146410 180522 197630 53312 278480 72746 60808 0 176894 141879 66514 130530 173806 38342 63295 67186 222075 149685 101685 262273 103908 168055 209557 96194 224134 140721 183960 155833 155351 181817 150201 79158 159542 225173 210379 275045 236638 115706 140700 135003 5188 95646 173436 141791 298798 38773 150864 153355 276139 194553 19710 276514 172455 221105 159240 72238 37942 59709 54879 112065 116301 128865 149787 142439 144960 98790 0 0 0 0 0 0 0 126988 152142 174968 182607 191371 159756 168500 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Cer 34:1;2O|Cer 18:1;2O/16:0 Cer 36:2;2O|Cer 18:2;2O/18:0 Cer 42:1;2O|Cer 18:1;2O/24:0 Cer 42:3;2O|Cer 18:2;2O/24:1 Ceramide d32:1 Ceramide d34:0 Ceramide d39:1 Ceramide d40:1 Ceramide d40:2 Ceramide d41:1 Ceramide d42:2 Ceramide d43:1 CL 70:4|CL 16:0_18:1_18:1_18:2 CL 70:7|CL 16:1_18:2_18:2_18:2 CL 72:5|CL 18:1_18:1_18:1_18:2 CL 72:6|CL 18:1_18:1_18:2_18:2 CL 72:7|CL 18:1_18:2_18:2_18:2 CL 72:8|CL 18:2_18:2_18:2_18:2 CL 74:10|CL 18:2_18:2_18:2_20:4 CL 74:7|CL 18:1_18:1_18:2_20:3 CL 74:7|CL 18:1_18:2_18:1_20:3 CL 74:9|CL 18:1_18:2_18:2_20:4 CL 74:9|CL 18:2_18:2_18:2_20:3 CL 76:11|CL 18:1_18:2_18:2_22:6 FA 14:1 FA 16:1 FA 17:1 FA 17:3 FA 18:1 FA 18:2 FA 18:3 FA 18:5 FA 19:1 FA 20:1 FA 20:3 FA 20:4 FA 20:5 FA 21:0 FA 22:1 FA 22:2 FA 22:3 FA 22:4 FA 22:5 FA 24:1 FA 24:2 FA 24:4 FA 24:5 GlcCer d40:1 GlcCer d41:1 Hex2Cer 34:1;2O HexCer 40:1;3O|HexCer 16:1;2O/24:0;O LPC 16:1 LPC 17:0 LPC 20:0 LPC 20:4 LPC 24:0 LPC O-16:0 LPE 16:0 LPE 18:0 LPE 18:1 LPE 20:4 LPE 22:4 LPE 22:6 LPG 16:0 LPI 18:0 LPI 20:4 LPS 18:0 O1_FA 18:3 O1_FA 22:6 O1_GlcCer d38:1 O1_GlcCer d40:1 O1_GlcCer d41:1 O1_GlcCer d42:1 O1_GlcCer d42:2 O1_PC 36:4 O1_PC p-38:4 O1_PE 36:4 O1_PE p-36:4 O1_SM d34:1 O2_FA 20:1 O2_FA 24:1 O3_PE p-40:6 PA 32:0|PA 16:0_16:0 PA 32:1|PA 16:0_16:1 PA 34:2|PA 16:0_18:2 PA 36:4|PA 16:0_20:4 PA 38:4|PA 18:0_20:4 PC 33:1 PC 35:1 PC 35:2 PC 35:4 PC 36:4 PC 36:5 PC 37:4 PC 38:3 PC 38:4 PC 38:5 PC 38:6 PC 40:4 PC O-32:1|PC O-16:0_16:1 PC O-32:1|PC O-16:1_16:0 PC O-34:2|PC O-16:0_18:2 PC O-34:2|PC O-16:1_18:1 PC O-34:3|PC O-16:1_18:2 PC O-38:7|PC O-16:1_22:6 PC O-40:7|PC O-18:1_22:6 PE 32:0|PE 16:0_16:0 PE 32:1|PE 16:0_16:1 PE 34:0|PE 16:0_18:0 PE 34:3|PE 16:0_18:3 PE 34:3|PE 16:1_18:2 PE 35:1|PE 17:0_18:1 PE 35:2|PE 17:0_18:2 PE 36:1|PE 18:0_18:1 PE 36:2|PE 18:0_18:2 PE 36:2|PE 18:1_18:1 PE 36:3|PE 18:1_18:2 PE 36:4|PE 16:0_20:4 PE 36:5|PE 16:0_20:5 PE 36:5|PE 16:1_20:4 PE 38:1|PE 18:0_20:1 PE 38:2|PE 18:0_20:2 PE 38:3|PE 18:0_20:3 PE 38:4|PE 18:0_20:4 PE 38:5|PE 18:0_20:5 PE 38:5|PE 18:1_20:4 PE 38:6|PE 16:0_22:6 PE 38:6|PE 18:2_20:4 PE 39:4|PE 19:0_20:4 PE 39:6|PE 17:0_22:6 PE 40:1|PE 22:0_18:1 PE 40:2|PE 18:1_22:1 PE 40:3|PE 18:0_22:3 PE 40:6|PE 18:0_22:6 PE 42:1|PE 24:0_18:1 PE 42:2|PE 18:1_24:1 PE 42:4|PE 18:0_24:4 PE 42:4|PE 22:0_20:4 PE 42:5|PE 18:0_24:5 PE O-32:2|PE O-16:1_16:1 PE O-34:1|PE O-16:0_18:1 PE O-34:1|PE O-18:1_16:0 PE O-34:2|PE O-16:1_18:1 PE O-34:5|PE O-14:1_20:4 PE O-36:6|PE O-16:1_20:5 PE O-36:6|PE O-16:2_20:4 PE O-37:5|PE O-17:1_20:4 PE O-38:7|PE O-18:3_20:4 PE O-39:5|PE O-17:1_22:4 PE O-39:5|PE O-19:1_20:4 PE O-39:6|PE O-17:1_22:5 PE O-39:7|PE O-17:1_22:6 PE O-40:4|PE O-18:0_22:4 PE O-40:4|PE O-18:1_22:3 PE O-40:5|PE O-16:1_24:4 PE O-40:5|PE O-18:0_22:5 PE O-40:5|PE O-18:1_22:4 PE O-40:5|PE O-20:1_20:4 PE O-40:6|PE O-18:1_22:5 PE O-40:6|PE O-18:2_22:4 PE O-40:7|PE O-18:1_22:6 PE O-40:7|PE O-18:2_22:5 PE O-40:8|PE O-18:2_22:6 PE O-40:8|PE O-18:3_22:5 PE O-40:9|PE O-18:3_22:6 PE O-41:7|PE O-19:1_22:6 PE O-42:6|PE O-20:1_22:5 PE O-42:7|PE O-18:1_24:6 PE O-42:7|PE O-20:1_22:6 PE O-42:9|PE O-20:3_22:6 PG 30:0|PG 14:0_16:0_PG 30:0|PG 14:0_16:0 PG 32:1|PG 16:0_16:1 PG 34:1|PG 16:0_18:1 PG 34:2|PG 16:0_18:2 PG 34:2|PG 16:0_18:2_PG 34:2|PG 16:0_18:2 PG 34:3|PG 16:0_18:3 PG 35:1|PG 17:0_18:1 PG 36:1|PG 18:0_18:1 PG 36:2|PG 18:1_18:1 PG 36:3|PG 18:1_18:2 PG 36:4|PG 16:0_20:4_PG 36:4|PG 16:0_20:4 PG 36:4|PG 18:2_18:2 PG 36:5|PG 16:0_20:5_PG 36:5|PG 16:0_20:5 PG 38:3|PG 18:0_20:3 PG 38:4|PG 18:0_20:4 PG 38:5|PG 16:0_22:5 PG 38:5|PG 18:1_20:4_PG 38:5|PG 18:1_20:4 PG 38:6|PG 16:0_22:6_PG 38:6|PG 16:0_22:6 PG 40:6|PG 18:0_22:6 PG 40:6|PG 18:1_22:5 PG 40:7|PG 18:1_22:6_PG 40:7|PG 18:1_22:6 PG 40:8|PG 18:2_22:6 PG 42:10|PG 20:4_22:6 PG 42:11|PG 20:5_22:6 PG 42:9|PG 20:3_22:6 PG 44:10|PG 22:4_22:6 PG 44:11|PG 22:5_22:6 PG 44:12|PG 22:6_22:6 PI 32:0|PI 16:0_16:0_PI 32:0|PI 16:0_16:0 PI 34:2|PI 16:0_18:2_PI 34:2|PI 16:0_18:2 PI 36:3|PI 16:0_20:3 PI 36:3|PI 18:1_18:2 PI 36:4|PI 16:0_20:4_PI 36:4|PI 16:0_20:4 PI 36:5|PI 16:0_20:5 PI 37:4|PI 17:0_20:4 PI 38:4|PI 16:0_22:4 PI 38:4|PI 18:0_20:4_PI 38:4|PI 18:0_20:4 PI 38:5|PI 18:0_20:5 PI 38:5|PI 18:1_20:4 PI 38:6|PI 16:0_22:6_PI 38:6|PI 16:0_22:6 PI 40:4|PI 18:0_22:4 PI 40:5|PI 18:0_22:5_PI 40:5|PI 18:0_22:5 PI 40:6|PI 18:0_22:6 PI 40:6|PI 18:1_22:5 PI 40:7|PI 18:1_22:6 PI O-36:4|PI O-16:0_20:4 PI O-38:4|PI O-18:0_20:4 PI O-38:5|PI O-18:1_20:4 PI O-38:6|PI O-16:0_22:6_w/o MS2:PI O-10:0_28:6 PS 32:0|PS 16:0_16:0 PS 32:1|PS 16:0_16:1 PS 34:1|PS 16:0_18:1_PS 34:1|PS 16:0_18:1 PS 34:2|PS 16:0_18:2 PS 36:1|PS 18:0_18:1 PS 36:2|PS 18:0_18:2 PS 36:2|PS 18:0_18:2_PS 36:2|PS 18:0_18:2 PS 36:3|PS 18:1_18:2 PS 36:4|PS 16:0_20:4_PS 36:4|PS 16:0_20:4 PS 38:2|PS 18:0_20:2 PS 38:3|PS 18:0_20:3 PS 38:4|PS 18:0_20:4 PS 38:4|PS 18:0_20:4_PS 38:4|PS 18:0_20:4 PS 38:5|PS 18:0_20:5_PS 38:5|PS 18:0_20:5 PS 38:6|PS 16:0_22:6_PS 38:6|PS 16:0_22:6 PS 40:1|PS 22:0_18:1 PS 40:2|PS 18:1_22:1 PS 40:4|PS 18:0_22:4 PS 40:5|PS 18:0_22:5_PS 40:5|PS 18:0_22:5 PS 40:6|PS 18:0_22:6 PS 40:7|PS 18:1_22:6_PS 40:7|PS 18:1_22:6 PS 40:8|PS 20:4_20:4 PS 42:0|PS 18:0_24:0 PS 42:1|PS 24:0_18:1 SM 33:1 SM 34:0 SM 34:1 SM 34:2 SM 36:0 SM 36:1 SM 36:2 SM 38:2 SM 40:3 SM d37:1 SM d38:1 SM d39:2 SM d40:1 SM d40:2 SM d41:2 SM d43:2 ST 27:1 ST 28:1 METABOLITES_END #END