#METABOLOMICS WORKBENCH Gustavo_Palacios_20250604_085338 DATATRACK_ID:5993 STUDY_ID:ST004049 ANALYSIS_ID:AN006695 PROJECT_ID:PR002539 VERSION 1 CREATED_ON July 18, 2025, 11:19 am #PROJECT PR:PROJECT_TITLE Comparison of lipidome from phagosomes containing Pam3csk4-beads vs. PR:PROJECT_TITLE uncoupled-beads PR:PROJECT_TYPE Lipidomics PR:PROJECT_SUMMARY Goals of the study: Lipids can participate in signaling cascades. LC3-associated PR:PROJECT_SUMMARY phagocytosis (LAP) facilitates cargo elimination during phagocytosis. Lipid PR:PROJECT_SUMMARY signaling during LC3-associated phagocytosis remains understudied. The goal of PR:PROJECT_SUMMARY the study is to evaluate differences in lipid composition at the phagosomal PR:PROJECT_SUMMARY membrane when phagocytes are fed inert beads (biotin labelled) compared with PR:PROJECT_SUMMARY beads labelled with the TLR2 agonist Pam3csk4 that induces LAP. Method: We PR:PROJECT_SUMMARY analyzed isolated phagosomes (~20x10^6/sample) from immortalized bone marrow PR:PROJECT_SUMMARY derived macrophages (iBMDM) fed Pam3csk4-conjugated beads (6 samples) or PR:PROJECT_SUMMARY uncoupled-beads (3 samples). Phagosomes were isolated 1h after phagocytosis PR:PROJECT_SUMMARY stimulation using mechanical disruption of cells and sucrose gradients. Results: PR:PROJECT_SUMMARY The lipid composition differed between the groups with an overall increased in PR:PROJECT_SUMMARY phosphatidylserine species observed in phagosomes containing Pam3csk4-beads. PR:PROJECT_SUMMARY Phosphatidylserine (PS) species were enriched in LAP-induced phagosomes. PS PR:PROJECT_SUMMARY species serve as signaling molecules attracting and docking Rubicon, a key PR:PROJECT_SUMMARY component in the LAP cascade. Limiting PS enrichment at phagosomes using PR:PROJECT_SUMMARY chemical, genetic methods or impeding Rubicon binding to PS blocks LAP PR:PROJECT_SUMMARY progression. Even though LC3-associated phagocytosis has been implicated in PR:PROJECT_SUMMARY disease models such as infectious diseases and cancer, this work is a basic PR:PROJECT_SUMMARY science study not involved directly with diseases or treatments. PR:INSTITUTE St. Jude Children's Research Hospital PR:DEPARTMENT Immunology PR:LABORATORY Green Lab PR:LAST_NAME Palacios PR:FIRST_NAME Gustavo PR:ADDRESS 262 Danny Thomas Place, Memphis, Tennessee, 38105, USA PR:EMAIL Gustavo.Palacios@stjude.org PR:PHONE 901-595-4448 PR:FUNDING_SOURCE NIH PR:CONTRIBUTORS Emilio Boada-Romero, Clifford S. Guy, Gustavo Palacios, Luigi Mari, Suresh PR:CONTRIBUTORS Poudel, Zhenrui Li, Piyush Sharma, Douglas R. Green* #STUDY ST:STUDY_TITLE Comparison of lipidome from phagosomes containing Pam3csk4-beads vs. ST:STUDY_TITLE uncoupled-beads ST:STUDY_TYPE Lipidomics ST:STUDY_SUMMARY Goals of the study: Lipids can participate in signaling cascades. LC3-associated ST:STUDY_SUMMARY phagocytosis (LAP) facilitates cargo elimination during phagocytosis. Lipid ST:STUDY_SUMMARY signaling during LC3-associated phagocytosis remains understudied. The goal of ST:STUDY_SUMMARY the study is to evaluate differences in lipid composition at the phagosomal ST:STUDY_SUMMARY membrane when phagocytes are fed inert beads (biotin labelled) compared with ST:STUDY_SUMMARY beads labelled with the TLR2 agonist Pam3csk4 that induces LAP. Method: We ST:STUDY_SUMMARY analyzed isolated phagosomes (~20x10^6/sample) from immortalized bone marrow ST:STUDY_SUMMARY derived macrophages (iBMDM) fed Pam3csk4-conjugated beads (6 samples) or ST:STUDY_SUMMARY uncoupled-beads (3 samples). Phagosomes were isolated 1h after phagocytosis ST:STUDY_SUMMARY stimulation using mechanical disruption of cells and sucrose gradients. Results: ST:STUDY_SUMMARY The lipid composition differed between the groups with an overall increased in ST:STUDY_SUMMARY phosphatidylserine species observed in phagosomes containing Pam3csk4-beads. ST:STUDY_SUMMARY Phosphatidylserine (PS) species were enriched in LAP-induced phagosomes. PS ST:STUDY_SUMMARY species serve as signaling molecules attracting and docking Rubicon, a key ST:STUDY_SUMMARY component in the LAP cascade. Limiting PS enrichment at phagosomes using ST:STUDY_SUMMARY chemical, genetic methods or impeding Rubicon binding to PS blocks LAP ST:STUDY_SUMMARY progression. Even though LC3-associated phagocytosis has been implicated in ST:STUDY_SUMMARY disease models such as infectious diseases and cancer, this work is a basic ST:STUDY_SUMMARY science study not involved directly with diseases or treatments. ST:INSTITUTE St Jude Children's Research Hospital ST:DEPARTMENT Immunology ST:LABORATORY Green Lab ST:LAST_NAME Palacios ST:FIRST_NAME Gustavo ST:ADDRESS 262 Danny Thomas Place, Memphis, Tennessee, 38105, USA ST:EMAIL Gustavo.Palacios@stjude.org ST:PHONE 901-595-4448 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 9 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Not applicable #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 - EB-00_Neg Sample source:Blank | Treatment:Blank Replicate=R1; RAW_FILE_NAME=EB_00_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-00_Pos Sample source:Blank | Treatment:Blank Replicate=R1; RAW_FILE_NAME=EB_00_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-01_Neg Sample source:iBMDM | Treatment:Mock Replicate=R1; RAW_FILE_NAME=EB_01_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-01_Pos Sample source:iBMDM | Treatment:Mock Replicate=R1; RAW_FILE_NAME=EB_01_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-02_Neg Sample source:iBMDM | Treatment:Mock Replicate=R2; RAW_FILE_NAME=EB_02_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-02_Pos Sample source:iBMDM | Treatment:Mock Replicate=R2; RAW_FILE_NAME=EB_02_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-03_Neg Sample source:iBMDM | Treatment:Mock Replicate=R3; RAW_FILE_NAME=EB_03_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-03_Pos Sample source:iBMDM | Treatment:Mock Replicate=R3; RAW_FILE_NAME=EB_03_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-04_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R1; RAW_FILE_NAME=EB_04_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-04_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R1; RAW_FILE_NAME=EB_04_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-05_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R2; RAW_FILE_NAME=EB_05_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-05_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R2; RAW_FILE_NAME=EB_05_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-06_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R3; RAW_FILE_NAME=EB_06_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-06_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R3; RAW_FILE_NAME=EB_06_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-07_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R4; RAW_FILE_NAME=EB_07_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-07_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R4; RAW_FILE_NAME=EB_07_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-08_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R5; RAW_FILE_NAME=EB_08_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-08_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R5; RAW_FILE_NAME=EB_08_09212020_HCD35-Pos.raw SUBJECT_SAMPLE_FACTORS - EB-09_Neg Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R6; RAW_FILE_NAME=EB_09_09212020_HCD35-Neg.raw SUBJECT_SAMPLE_FACTORS - EB-09_Pos Sample source:iBMDM | Treatment:Pam3-Beads Replicate=R6; RAW_FILE_NAME=EB_09_09212020_HCD35-Pos.raw #COLLECTION CO:COLLECTION_SUMMARY Phagocytes (~25x10^6 cells/plate, two 15cm plates per experimental point) were CO:COLLECTION_SUMMARY fed with Pam3csk4-beads or control beads so that each cell engulfed 0-3 CO:COLLECTION_SUMMARY phagosomes after 45 minutes. Plates were thoroughly washed twice with ice-cold CO:COLLECTION_SUMMARY 1X PBS to eliminate non-phagocyted beads. Cells were harvested in ice-cold 1X CO:COLLECTION_SUMMARY PBS and mechanically homogenized in 2ml 8% (w/v) sucrose (0.25M; Sigma, S9378) CO:COLLECTION_SUMMARY using glass douncers or 1 ml 27G syringes (BD, 309623). After homogenization, CO:COLLECTION_SUMMARY the disrupted cell solution was mixed with a saturated 62% (w/v) sucrose CO:COLLECTION_SUMMARY solution (1.81 M) to achieve a final sucrose concentration of ~40%. This mixture CO:COLLECTION_SUMMARY was then layered onto a 62% sucrose solution in polycarbonate centrifuge tubes CO:COLLECTION_SUMMARY (Beckman Coulter, 34058). Sequential layers of 35% (1.02 M), 25% (0.73 M), and CO:COLLECTION_SUMMARY 10% (0.29 M) sucrose solutions were carefully added on top of the cell solution CO:COLLECTION_SUMMARY mixture. All sucrose-containing buffers were prepared in 3 mM imidazole [pH 7.4] CO:COLLECTION_SUMMARY (Sigma, I202), and each layer was 8 ml, except for the 62% sucrose layer at the CO:COLLECTION_SUMMARY bottom, which was 5 ml. Equilibrated tubes were ultra-centrifuged at 100,000xg CO:COLLECTION_SUMMARY for 1h at 4ºC using a swinging-bucket rotor (SW 32Ti, Beckman Coulter, 369650; CO:COLLECTION_SUMMARY Optima XE, Beckman Coulter). Phagosome-containing beads float at the interface CO:COLLECTION_SUMMARY between the 10% and 25% sucrose layers. The bead-containing phagosomes were CO:COLLECTION_SUMMARY carefully collected, washed with cold 1X PBS (or 0.9% NaCl solution for CO:COLLECTION_SUMMARY lipidomics), and ultracentrifuged again at 100,000 × g for 30 minutes at 4°C. CO:COLLECTION_SUMMARY For lipidomic assays, bead-containing phagosomes were resuspended in 0.9% NaCl CO:COLLECTION_SUMMARY (prepared in HPLC-grade water), counted, and the same number of phagosomes were CO:COLLECTION_SUMMARY pelleted at 100,000xg for 20 min at 4ºC using fixed angle rotor (TLA-100 rotor, CO:COLLECTION_SUMMARY Beckman Coulter, 349481) in a benchtop ultracentrifuge (OptimaTL, Beckman CO:COLLECTION_SUMMARY Coulter). The pelleted phagosomes were transferred to lipidomics-compatible CO:COLLECTION_SUMMARY tubes in a minimal residual volume and flash-frozen in liquid nitrogen for CO:COLLECTION_SUMMARY further processing. CO:SAMPLE_TYPE Macrophages #TREATMENT TR:TREATMENT_SUMMARY Immortalized bone marrow derived macrophages were fed Pam3csk4-conjugated beads TR:TREATMENT_SUMMARY (6 samples) or uncoupled-beads (3 samples) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Equal numbers of phagosomes (~20x106) were washed with ice-cold NaCl 0.9% saline SP:SAMPLEPREP_SUMMARY solution, flash-frozen in liquid nitrogen, and stored at –80ºC until lipid SP:SAMPLEPREP_SUMMARY extraction. Total lipids were extracted using a modified Folch extraction SP:SAMPLEPREP_SUMMARY procedure (Folch, J., Lees, M. & Sloane Stanley, G. H. A simple method for the SP:SAMPLEPREP_SUMMARY isolation and purification of total lipides from animal tissues. J Biol Chem SP:SAMPLEPREP_SUMMARY 226, 497-509 (1957)). Briefly, 1 ml of chloroform-methanol (2:1, v/v) was added SP:SAMPLEPREP_SUMMARY to the samples and mixed by vortexing. Then, 200 µl of 0.9% NaCl was added, and SP:SAMPLEPREP_SUMMARY the mixture were homogenized for 30 sec at 8 m/s in a Bead Ruptor Elite (OMNI SP:SAMPLEPREP_SUMMARY International). After incubation at room temperature for 30 sec, the samples SP:SAMPLEPREP_SUMMARY centrifuged for 10 min at 21,000xg at 4ºC. The lower organic-phase layer was SP:SAMPLEPREP_SUMMARY carefully transferred to a new tube and evaporated to dryness under a stream of SP:SAMPLEPREP_SUMMARY liquid nitrogen. The dried lipid extracts were thoroughly re-dissolved with 30 SP:SAMPLEPREP_SUMMARY µl of chloroform-methanol (2:1, v/v), transferred to autosampler vials, and SP:SAMPLEPREP_SUMMARY analyzed by LC-MS/MS (10 µl per injection). SP:SAMPLEPREP_PROTOCOL_FILENAME Protocol_of_Untargeted_Lipidomics_09212020.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Untargeted Lipidomics. Separated injections for acquiring Positive and Negative CH:CHROMATOGRAPHY_SUMMARY ion modes, generating two MS datafiles per sample CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Vanquish Horizon CH:COLUMN_NAME Thermo Accucore C30 (250 x 2.1mm, 2.6um) CH:SOLVENT_A 60% Water/40% Acetonitrile; 10mM ammonium acetate CH:SOLVENT_B 10% Acetonitrile/90% Isopropyl alcohol; 10mM ammonium acetate CH:FLOW_GRADIENT Time(min), %B: 0.0, 45; 4.5, 60; 5.0, 70; 8.0, 70; 19.0, 75; 20.0, 90; 33.0, 95; CH:FLOW_GRADIENT 34.0, 100; 39.0 100; 40.0, 45 CH:FLOW_RATE 250 µL/min CH:COLUMN_TEMPERATURE 50 CH:METHODS_FILENAME Protocol_of_Untargeted_Lipidomics_09212020.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Immuno-Metabolomics Core AN:OPERATOR_NAME Gustavo Palacios AN:DETECTOR_TYPE ESI-MS AN:SOFTWARE_VERSION Thermo Xcalibur 4.0 AN:ACQUISITION_DATE 21-Sep-2020 AN:ACQUISITION_PARAMETERS_FILE Protocol_of_Untargeted_Lipidomics_09212020.pdf AN:DATA_FORMAT .RAW #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Positive and Negative ion modes were separately acquired. Two separated MS:MS_COMMENTS injections and chromatography per sample were run. A comprehensive data MS:MS_COMMENTS processing for lipids identification was performed using the software MS:MS_COMMENTS LipidSearch 4.2. All the identified lipids have MS/MS data, and the LipidSearch MS:MS_COMMENTS process for the identifications used was exclusively “Product Search”. MS:CAPILLARY_TEMPERATURE 320 MS:CAPILLARY_VOLTAGE 2500 MS:COLLISION_ENERGY HCD35 MS:DRY_GAS_FLOW 45 MS:DRY_GAS_TEMP 320 MS:MASS_ACCURACY 4 ppm #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples EB-01_Neg EB-02_Neg EB-02_Neg EB-04_Neg EB-05_Neg EB-06_Neg EB-07_Neg EB-08_Neg EB-09_Neg Factors Sample source:iBMDM | Treatment:Mock Sample source:iBMDM | Treatment:Mock Sample source:iBMDM | Treatment:Mock Sample source:iBMDM | Treatment:Pam3-Beads Sample source:iBMDM | Treatment:Pam3-Beads Sample source:iBMDM | Treatment:Pam3-Beads Sample source:iBMDM | Treatment:Pam3-Beads Sample source:iBMDM | Treatment:Pam3-Beads Sample source:iBMDM | Treatment:Pam3-Beads BiotinylPE(23:1)-H 797631.935 1076542.503 1528924.426 1630705.103 1688399.269 2147791.54 1715082.074 3028708.282 3004823.379 BiotinylPE(26:1)-H 4973618.073 4098386.7 4936286.723 7346243.259 6009688.422 5941146.388 5593387.97 9834930.8 7149618.199 BiotinylPE(27:1)-H_1 2416965.329 1611162.692 1682216.123 2859981.679 1124139.792 2658160.795 1051911.776 2996175.69 2883221.28 BiotinylPE(27:1)-H_2 3.87E+07 3.48E+07 3.23E+07 5.19E+07 4.45E+07 4.06E+07 3.97E+07 5.50E+07 5.14E+07 BiotinylPE(32:3)-H 7218537.524 9541887.438 8400240.015 4330748.049 4689004.799 3539042.375 3207375.96 4150961.492 4286932.392 CL(68:4)-H 734450.3835 1208090.896 1709410.166 167029.398 393397.1304 1171927.599 1067250.422 2034587.165 316612.021 CL(68:6)-2H_1 1338538.474 5869278.799 1.19E+07 1019997.304 1196773.835 1567947.979 1210293.633 939631.7598 1683665.759 CL(68:6)-2H_2 4.84E+07 6931959.735 3.63E+07 724438.0872 3188382.379 3.72E+07 3.14E+07 1972089.588 4.00E+07 CL(68:6)-2H_3 3093070.433 5232923.272 2934632.886 773811.0864 2.64E+07 4262703.145 5595395.804 4.58E+07 5819521.494 CL(70:4)-H 423864.361 1329169.71 2916584.019 1209022.029 941379.493 680064.879 1105432.446 1970262.404 1752757.203 CL(70:5)-2H 159389.538 212400.2496 1218537.077 826285.603 104560.8696 1557531.378 204934.874 2218392.254 1017698.91 CL(73:2)-2H 4632389.005 4360429.094 5736468.589 9986745.968 8277751.45 8510557.244 9170495.137 9848100.083 8223128.931 CL(74:2)-2H 1.93E+08 2.39E+08 2.77E+08 3.07E+08 2.72E+08 3.02E+08 2.96E+08 3.69E+08 3.71E+08 CL(74:6)-2H_1 1312591.147 5441575.139 5989708.737 4742491.897 5307056.138 4916859.236 5193374.977 4358992.419 3877176.342 CL(74:6)-2H_2 2632171.125 2026098.066 1004618.963 1199290.36 368420.7549 425525.0736 901869.0558 1078798.12 1506311.614 CL(75:2)-2H_1 1.42E+07 2.69E+07 2.36E+07 1.62E+07 1.46E+07 1.91E+07 1.96E+07 3.11E+07 1.62E+07 CL(75:2)-2H_2 1.96E+07 4.44E+07 5.15E+07 4.03E+07 4.28E+07 3.75E+07 3.67E+07 6.47E+07 4.00E+07 CL(75:3)-2H 1.95E+07 2.95E+07 2.64E+07 1.59E+07 1.93E+07 2.37E+07 2.52E+07 2.79E+07 2.57E+07 CL(75:4)-2H 6.94E+07 9.72E+07 1.17E+08 1.81E+08 1.66E+08 1.67E+08 1.61E+08 2.28E+08 1.68E+08 CL(75:6)-2H 6487839.766 6545294.903 1.06E+07 1.37E+07 1.19E+07 1.65E+07 1.57E+07 2.87E+07 1.41E+07 CL(76:6)-2H 4572783.129 1.55E+07 1.27E+07 3914985.068 1652709.236 1.52E+07 2724809.753 4523392.528 1.13E+07 CL(77:4)-2H 1021698.148 1098223.931 1603485.122 2869565.595 3101900.144 2386111.301 2211369.462 3643364.302 2773140.796 CL(77:6)-2H_1 362188.622 174337.1427 441269.718 1861452.154 1099678.409 1213213.335 746694.74 1650242.718 1654156.157 CL(77:6)-2H_2 2290649.975 2767140.077 2938427.236 3415372.672 2363152.405 3609816.88 2873988.493 3299835.86 3377311.952 CL(77:7)-2H_1 56715.579 8514594.493 1.14E+07 2003487.372 1.22E+07 1.31E+07 4138420.193 1757059.656 1.30E+07 CL(77:7)-2H_2 2.25E+07 2.35E+07 2.98E+07 2.44E+07 2.05E+07 2.05E+07 2.27E+07 3.26E+07 2.52E+07 CL(79:11)-2H 7388788.277 7763416.429 9153744.57 6343855.007 5263146.774 5433680.506 4900303.754 262965.7725 4891605.763 CL(79:3)-2H 5413714.374 5410538.68 6763477.57 5974097.303 6285348.214 5556914.145 4797837.411 8003776.351 5747517.2 CL(79:4)-2H_1 4270906.449 5855523.376 8303611.433 989989.2603 8015266.692 1330120.806 1.51E+07 6822316.864 1.14E+07 CL(79:4)-2H_2 2.37E+07 3.48E+07 4.13E+07 3.97E+07 3.18E+07 3.72E+07 3.72E+07 5.91E+07 3.56E+07 CL(79:5)-2H_1 814823.9127 6.66E+07 6.10E+07 3258109.79 5.35E+07 1474355.069 5.20E+07 6.59E+07 5.72E+07 CL(79:5)-2H_2 1.97E+08 2.08E+08 2.23E+08 1.68E+08 1.25E+08 1.49E+08 1.27E+08 1.98E+08 1.55E+08 CL(79:5)-2H_3 2.13E+07 2.01E+07 3.41E+07 2.33E+07 1.41E+07 2.97E+07 1.27E+07 2.21E+07 1.73E+07 CL(79:6)-2H_1 2.12E+07 6418754.541 3.06E+07 3.87E+07 3.15E+07 3.70E+07 3.82E+07 4.11E+07 3.99E+07 CL(79:6)-2H_2 2.37E+07 2.72E+07 3.55E+07 3.60E+07 3.30E+07 3.56E+07 3.27E+07 5.05E+07 3.67E+07 CL(79:7)-2H_1 5.09E+07 1.36E+08 2.05E+08 3.53E+08 4.26E+08 4.06E+08 3.66E+08 5.12E+08 4.09E+08 CL(79:7)-2H_2 3.43E+07 6.58E+07 6.18E+07 3.53E+08 4.26E+08 4.06E+08 3.66E+08 5.12E+08 4.09E+08 CL(79:7)-2H_3 2.24E+08 9047348.782 8656233.343 2.10E+07 4.09E+07 2.59E+07 3.81E+07 4.08E+07 2.96E+07 CL(79:7)-2H_4 8.44E+08 7.69E+08 8.94E+08 6.91E+08 6.26E+08 6.82E+08 5.69E+08 9.24E+08 6.92E+08 CL(79:7)-2H_5 9271952.19 1.05E+07 9538728.371 6195458.142 5125572.433 5524322.942 9014212.004 6851452.946 6613273.661 CL(79:8)-2H_1 405989.7618 1508853.713 1084192.078 2672665.068 1282979.814 493129.9527 1.12E+07 2848496.426 932498.3052 CL(79:8)-2H_2 1.66E+07 2.30E+07 2.76E+07 3.86E+07 3.33E+07 3.79E+07 2.79E+07 4.53E+07 3.83E+07 CL(79:9)-2H_1 392534.604 5.17E+07 5.56E+07 1092562.825 1.37E+07 4.05E+07 6875710.037 4682940.34 2761878.359 CL(79:9)-2H_2 2.75E+07 2876246.644 6484790.877 2408194.676 3708942.994 4357518.286 2170068.574 2214920.381 4450120.603 CL(79:9)-2H_3 7.36E+07 7.70E+07 1.03E+08 7.34E+07 6.50E+07 6.51E+07 5.75E+07 8.84E+07 6.48E+07 CL(81:2)-2H 56038.869 113720.598 200080.09 1592869.016 1392001.309 1473673.884 1335369.337 2239269.994 1678253.832 CL(81:7)-2H 1.72E+07 2.46E+07 2.30E+07 1.79E+07 1.80E+07 1.94E+07 1.66E+07 2.59E+07 2.09E+07 CL(83:11)-2H 2.98E+07 1.60E+07 3.97E+07 2.44E+07 2.00E+07 535206.3552 2.04E+07 3.06E+07 8933720.281 CL(83:13)-2H 1.22E+07 1.32E+07 1.35E+07 1.07E+07 7861870.128 7857183.874 8290773.938 1.01E+07 8951045.394 CL(83:15)-2H_1 578773.9398 519380.6526 1143523.446 426737.7378 605791.1523 618390.1983 960251.3394 1503436.627 726087.8946 CL(83:15)-2H_2 8754921.079 5245083.437 9199677.655 3935347.149 3470551.475 3527375.656 4270881.545 5663487.877 3314778.74 CL(83:17)-2H 5820056.865 5628286.857 6848247.37 4898459.42 3613235.154 4109081.636 3864098.729 7072804.616 4039041.883 CL(83:5)-2H 6144924.022 7431583.017 6730671.055 4625488.83 3488930.708 3533424.192 3842049.51 4429086.539 4182609.012 CL(83:6)-2H 2685628.718 3572925.797 3786103.921 3766247.966 2062552.034 2623052.725 2449251.089 2810189.415 2532091.411 CL(83:7)-2H 5.31E+07 5.98E+07 8.48E+07 7.14E+07 5.92E+07 6.67E+07 5.64E+07 1.04E+08 6.96E+07 CL(83:9)-2H_1 1390425.285 3.07E+07 2.92E+07 665067.8874 2.24E+07 476494.9284 1.51E+07 2.99E+07 2851914.087 CL(83:9)-2H_2 5.18E+07 6.12E+07 6.68E+07 4.56E+07 4.07E+07 4.63E+07 4.35E+07 6.62E+07 4.95E+07 CL(85:9)-2H 3881445.456 4119647.47 3984878.346 4304463.033 2475738.216 2295903.617 2213617.003 3015664.712 1390684.838 CL(86:8)-2H 209451.4341 2959629.159 4143458.749 170247.694 934317.2118 202126.201 268319.135 1347651.549 763631.1624 CL(87:11)-2H 653471.3205 4709258.357 7402715.329 5030731.804 3625268.069 2988215.995 2188165.001 6046153.487 3857253.572 CL(87:13)-2H 3077160.781 5666185.729 4912512.033 3793418.641 2627533.187 3102526.2 2870066.93 5448679.35 2104106.737 CL(87:15)-2H 1.67E+07 1.95E+07 2.19E+07 1.60E+07 1.79E+07 1.40E+07 1.55E+07 2.16E+07 1.50E+07 CL(87:17)-2H_1 1543540.099 5.52E+07 5.58E+07 9978343.642 8189501.206 2.09E+07 1.46E+07 1.04E+07 1.64E+07 CL(87:17)-2H_2 1.83E+07 1.07E+07 1.44E+07 3.52E+07 3.28E+07 6841848.256 1.03E+07 7987383.552 7229426.57 CL(87:17)-2H_3 5.58E+07 6.76E+07 9.36E+07 5.53E+07 5.51E+07 4.65E+07 4.67E+07 6.57E+07 4.75E+07 CL(87:19)-2H 3206594.785 3429532.574 3618281.326 1461441.299 1881069.382 1856087.97 1501792.256 2118352.616 1586382.268 CL(87:9)-2H 2473541.262 3276096.052 728026.0998 247690.0353 495110.1168 2908403.766 1041670.662 1424752.994 965934.0225 Cer(d18:1_14:0)+CH3COO 4751248.044 7425095.883 9307610.348 5075822.26 5433992.64 5040393.942 4314107.693 7695814.088 6190992.75 Cer(d32:1)-H 704142.788 614149.995 1544029.133 744948.359 815314.359 698196.784 737789.872 898939.582 967684.562 Cer(d17:1_16:0)-H 1630318.898 2296071.822 2727020.492 1813694.05 1856603.968 1884229.026 1868366.775 2809189.143 1773013.161 Cer(d17:1_16:0)+CH3COO_1 4094614.015 8268576.614 9791591.777 5598343.615 6656493.391 5950928.941 5374849.994 7279366.289 6829511.53 Cer(d17:1_16:0)+CH3COO_2 4.53E+07 5.55E+07 5.98E+07 3.92E+07 3.90E+07 3.94E+07 3.60E+07 4.78E+07 4.11E+07 Cer(d18:0_16:0)+CH3COO_1 8651188.774 1.36E+07 1.63E+07 7268113.452 7169161.506 7881295.701 5224493.164 9409165.16 7282651.315 Cer(d18:0_16:0)+CH3COO_2 1970721.608 2788121.357 5106018.337 3350698.566 2949427.747 3538785.948 3316984.088 5237023.077 4406401.803 Cer(d18:0_16:0)-H 510326.934 579301.8999 963314.815 103291.0599 701008.964 372194.86 529663.0803 1644473.859 494131.4232 Cer(d18:1_16:0)-H 2.79E+07 4.19E+07 5.08E+07 2.75E+07 2.65E+07 2.63E+07 2.51E+07 3.52E+07 2.99E+07 Cer(d18:1_16:0)+CH3COO 1.89E+08 2.92E+08 3.70E+08 1.94E+08 2.21E+08 1.81E+08 1.66E+08 2.52E+08 2.00E+08 Cer(d18:2_16:0)+CH3COO 6923374.216 8462131.53 1.02E+07 4675375.923 4724623.835 5638916.866 4884536.761 4634573.327 5793898.441 Cer(d18:1_17:0)+CH3COO 2443249.052 4314886.31 5342401.186 3128212.381 2905270.691 3131010.7 2423744.962 5823894.757 2739706.822 Cer(d18:1_18:0)-H 1996718.341 3699355.965 4408535.019 3075273.781 3390296.649 3236617.697 2739372.363 4505501.154 2896065.728 Cer(d18:1_18:0)+CH3COO 1.50E+07 2.55E+07 3.26E+07 2.20E+07 2.17E+07 2.38E+07 2.10E+07 3.40E+07 2.70E+07 Cer(d18:1_20:0)-H 466308.673 990119.318 1247998.059 1276653.717 1204076.714 1212673.238 1633624.492 1992679.913 980951.489 Cer(d18:1_20:0)+CH3COO 4826178.061 1.01E+07 1.23E+07 1.28E+07 1.41E+07 1.42E+07 1.26E+07 2.04E+07 1.49E+07 Cer(d17:1_22:0)+CH3COO 2.10E+07 3.51E+07 3.72E+07 2.42E+07 2.69E+07 2.65E+07 2.10E+07 3.52E+07 2.79E+07 Cer(d18:1_22:0)-H 1.61E+07 2.38E+07 3.57E+07 2.19E+07 1.84E+07 2.43E+07 1.79E+07 3.02E+07 3.15E+07 Cer(d18:1_22:0)+CH3COO 2.09E+08 3.44E+08 3.69E+08 2.31E+08 2.44E+08 2.76E+08 2.35E+08 3.68E+08 2.94E+08 Cer(d18:1_22:1)+CH3COO 4696118.928 7347647.01 9199470.141 5525550.445 6007366.951 6044727.594 5614825.028 9026658.806 6960804.867 Cer(d18:1_22:1)-H 82042.3203 563563.002 605715.0594 198355.9998 244619.381 230343.8637 163119.493 347175.538 330074.3067 Cer(d18:2_22:0)-H 50295.5376 141488.499 287084.4717 134120.983 82036.1475 166123.895 0 172130.3235 290196.5007 Cer(d18:2_22:0)+CH3COO 1597601.393 752308.8969 2769823.761 3196438.184 3250155.296 3445706.087 3032167.134 4811065.046 3535002.566 Cer(d18:1_23:0)+CH3COO 2.89E+07 3.98E+07 5.23E+07 3.36E+07 3.64E+07 4.01E+07 3.20E+07 5.35E+07 3.98E+07 Cer(d18:1_23:0)-H 2766140.024 2738094.67 4539297.878 2961695.998 3248720.162 3395162.12 2876147.495 3563767.87 2031167.559 Cer(d17:1_24:0)+CH3COO 5.46E+07 7.07E+07 9.25E+07 7.22E+07 6.56E+07 6.03E+07 6.54E+07 1.10E+08 7.57E+07 Cer(d18:1_23:1)+CH3COO 6491692.968 1.09E+07 1.41E+07 7093944.795 8362727.691 8794350.432 7022339.889 1.07E+07 9200056.323 Cer(d18:1_23:1)-H 302468.628 656569.6 907702.193 535133.863 449952.039 37341.0696 244843.7868 537863.523 264926.539 Cer(d18:0_24:0)+CH3COO 2.21E+07 4.60E+07 5.28E+07 8593920.759 1.08E+07 2.63E+07 8066424.605 1.44E+07 8362685.204 Cer(d18:1_24:0)-H 4.00E+07 7.22E+07 9.08E+07 5.81E+07 5.95E+07 5.83E+07 5.70E+07 9.69E+07 6.41E+07 Cer(d18:1_24:0)+CH3COO 5.94E+08 1.06E+09 1.19E+09 7.63E+08 7.98E+08 8.25E+08 7.92E+08 1.37E+09 9.08E+08 Cer(d18:1_24:1)-H 2.27E+07 3.63E+07 4.69E+07 2.86E+07 2.79E+07 3.29E+07 2.89E+07 4.37E+07 3.31E+07 Cer(d18:1_24:1)+CH3COO_1 3.09E+08 4.76E+08 5.99E+08 3.73E+08 4.32E+08 4.24E+08 3.73E+08 5.53E+08 5.11E+08 Cer(d18:1_24:1)+CH3COO_2 2.01E+07 1.31E+07 1.44E+07 1.04E+07 4.22E+07 1.40E+07 4.34E+07 4.03E+07 1.18E+07 Cer(d18:2_24:1)+CH3COO_1 5066420.906 7410257.396 8557476.794 5243881.693 6032645.248 5081962.613 4411526.223 8503106.848 5956914.03 Cer(d18:2_24:1)-H 334886.842 428376.367 46942.2312 94437.131 216966.063 347091.847 118526.996 306526.864 189703.039 Cer(d18:2_24:1)+CH3COO_2 3183938.174 1075254.622 6570117.924 3623493.224 2884581.239 1442118.401 3260630.051 5510190.26 4607213.429 Cer(d18:1_25:0)+CH3COO 7324929.937 1.42E+07 1.59E+07 1.07E+07 1.44E+07 1.10E+07 1.11E+07 1.68E+07 1.21E+07 Cer(d18:1_25:1)+CH3COO 821377.584 3577689.751 5569536.47 5105471.769 2793426.575 4252157.764 4009194.646 6484509.221 6856888.555 Cer(d44:0)+CH3COO 3050202.056 2682652.824 3587014.537 1885437.545 3047011.395 1700737.078 2429493.38 5534172.806 2919810.163 Cer(d20:1_24:0)+CH3COO 9109234.319 1.25E+07 1.71E+07 1.09E+07 1.30E+07 1.29E+07 1.01E+07 1.88E+07 1.34E+07 Cer(d18:1_26:1)+CH3COO 5274834.047 1.08E+07 1.40E+07 8570966.991 1.08E+07 1.18E+07 1.00E+07 1.49E+07 1.06E+07 Cer(d18:1_26:2)+CH3COO 357520.418 1763988.487 2146326.277 1949552.299 1396108.775 569729.614 817504.646 1816659.367 875262.723 Cer(m34:1)-H 1.85E+07 2.39E+07 1.99E+07 2.61E+07 2.37E+07 2.08E+07 1.76E+07 2.54E+07 1.96E+07 Cer(m35:1)-H 4854428.145 4103851.76 4469152.002 3962059.962 4324279.845 3939193.056 5539156.139 4302089.692 4258370.695 Cer(m36:1)-H 4.61E+07 4.92E+07 4.85E+07 5.06E+07 5.01E+07 5.08E+07 5.03E+07 5.22E+07 4.72E+07 Cer(m39:1)-H 6270040.98 6953208.608 6737048.898 7476302.496 7949678.741 6765288.165 6839479.251 7857783.891 6662651.292 Cer(m17:1_22:1)+CH3COO 2773875.421 3344862.626 3065918.462 2623142.53 2380350.658 2415484.327 2589206.015 2518175.359 3137900.273 Cer(m39:2)-H 2400930.845 2687219.546 2453154.687 2907963.188 2670982.589 2346299.385 2440808.525 2474114.893 2179427.688 Cer(m18:0_22:0)+CH3COO 7872704.534 1.17E+07 8068924.764 7684994.083 1.75E+07 1.39E+07 6990589.646 6280560.686 1.20E+07 Cer(m44:1)-H 1.87E+07 2.09E+07 1.79E+07 2.02E+07 1.69E+07 1.73E+07 1.68E+07 1.95E+07 2.15E+07 Cer(t35:0)-H 1435342.836 361093.6044 1.66E+07 4560961.66 1.77E+07 4425553.731 1.26E+07 1202088.202 1.92E+07 Cer(t37:0)-H 1.44E+07 1.37E+07 1.99E+07 1.59E+07 1.22E+07 1.27E+07 1.35E+07 1.29E+07 9558267.26 Cer(t38:0)-H_1 9620675.546 1.50E+07 1.02E+07 1.45E+07 2.29E+07 725224.2729 1271686.748 4944641.627 1.69E+07 Cer(t38:0)-H_2 4.36E+07 3.59E+07 2.59E+07 2.87E+07 2.96E+07 6.59E+07 1.52E+07 5364194.146 4.59E+07 Cer(t39:0)-H_1 2918375.879 646736.8926 1215081.077 1366603.693 839637.2367 920191.47 148797.5688 1801108.518 843786.9684 Cer(t39:0)-H_2 2.04E+07 2.60E+07 2.47E+07 1.85E+07 3.18E+07 2.66E+07 2.98E+07 2.27E+07 3.21E+07 Cer(t18:0_21:1)-H 419402.3592 1312625.071 111069.3033 186486.983 998188.185 463879.149 1348393.723 268527.3216 196611.4308 Cer(t40:0)-H 6.76E+07 5.90E+07 5.69E+07 6.30E+07 6.29E+07 6.42E+07 5.65E+07 7.10E+07 6.41E+07 Cer(t41:0)-H 5774490.686 2702794.646 1.88E+07 9037473.337 2.71E+07 1.14E+07 1.13E+07 8991827.079 5383362.11 Cer(t17:0_24:0)+CH3COO 590982.349 371404.154 1349495.554 4284677.472 4679557.218 2781177.209 3550370.703 5777380.768 5663522.052 Cer(t17:0_24:1)+CH3COO 172388.041 109176.991 335540.2149 425200.693 586331.665 913524.194 314714.1825 1857865.281 1114067.739 Cer(t18:0_24:0)+CH3COO 3783795.128 2173311.522 1733541.275 3093637.167 3226660.323 2935279.661 2608621.169 6679078.5 4110780.229 Cer(t18:1_26:0+O)+CH3COO 4236586.835 2144756.606 1492081.305 1707751.127 3501113.774 1456247.776 3168616.45 7352586.44 3666468.27 CerG3GNAc1(d30:0)-2H 4710691.765 2918737.98 345175.2612 1598841.365 3225177.861 1431614.833 588199.5504 227291.9955 1764414.361 CerG3GNAc1(d36:0)-2H_1 1.18E+07 1.10E+07 1.31E+07 1.74E+07 1.61E+07 1.07E+07 1.66E+07 9706865.962 8891179.404 CerG3GNAc1(d36:0)-2H_2 8148343.369 301789.0002 1053021.065 2375709.179 5551180.923 6864922.449 1068857.711 180224.1672 4461786.506 CerG3GNAc1(d38:0)-2H_1 3.34E+07 1.26E+08 1.14E+08 1.11E+08 1.08E+08 1.37E+08 1.67E+08 3.19E+07 1.28E+08 CerG3GNAc1(d38:0)-2H_2 1096589.795 4861952.842 860251.1676 6215641.484 1253195.882 4756909.781 3790608.292 5547083.053 3858394.422 CerP(d41:7)+CH3COO 4600270.26 3939228.967 8370284.81 1.07E+07 9396322.263 1.15E+07 1.04E+07 1.47E+07 7929519.733 CerP(d47:1+O)+CH3COO 8746387.291 1.04E+07 1.57E+07 2.59E+07 2.56E+07 3.11E+07 1.99E+07 3.84E+07 2.83E+07 CerP(d47:2+O)+CH3COO 3752060.939 5514652.576 7128914.567 1.35E+07 1.10E+07 1.19E+07 1.06E+07 1.58E+07 1.04E+07 DLCL(34:1)-H 3441161.53 2907202.469 3889582.351 2788810.743 2060893.398 2156089.398 2380473.273 3094924.821 1887961.055 DLCL(36:3)-H 3045043.459 5602296.416 593801.7624 3468992.443 1646912.818 4556021.009 537035.0436 3247677.994 3980467.918 FA(18:2)-H 5.50E+07 1.13E+08 1.50E+08 1.41E+08 1.16E+08 2.20E+08 2.15E+08 2.11E+08 2.83E+08 GM1(d42:1)-2H 1.58E+07 1.64E+07 1.25E+07 1.85E+07 1.45E+07 1.52E+07 1.65E+07 2.14E+07 2.17E+07 GM1(d42:2)-2H 4876499.656 5164310.672 5406112.713 6003860.539 3319625.937 6596987.346 5598875.921 5979218.151 6041487.472 GM2(d34:1)-H 1345586.143 1102915.935 1507127.845 1084803.263 1261806.941 626416.11 962770.088 1492242.052 813033.684 GM2(d42:1)-H 2317523.581 2675873.611 3298344.267 1526625.549 1655821.721 1291043.81 1544121.943 2382164.85 1706918.218 Hex1Cer(d15:0_18:1)+CH3COO 8976919.55 1.01E+07 1.26E+07 1.35E+07 1.05E+07 1.16E+07 1.22E+07 1.19E+07 1.28E+07 Hex1Cer(d18:1_16:0)-H 1.88E+07 2.53E+07 2.96E+07 2.92E+07 2.45E+07 2.96E+07 2.68E+07 2.61E+07 2.87E+07 Hex1Cer(d34:2)+CH3COO 2851064.149 5344460.615 6422659.759 9860440.79 7263271.886 6908185.082 8437516.383 1.05E+07 8031328.223 Hex1Cer(d35:1)+CH3COO 354947.0766 1468247.805 452892.2541 1868076.723 475322.461 630004.4382 526305.93 1981470.209 678539.103 Hex1Cer(d35:2)+CH3COO 2145309.217 2980837.879 1412978.397 2788677.973 2611591.908 3595594.464 2922930.363 4601261.412 2294139.68 Hex1Cer(d35:3)+CH3COO 7044963.755 3.05E+07 5.05E+07 1.24E+07 1.01E+07 1.09E+07 1.18E+07 1.71E+07 4.30E+07 Hex1Cer(d15:0_20:4)+CH3COO 4.62E+07 5.46E+07 8.33E+07 1.05E+08 9.29E+07 1.02E+08 9.07E+07 1.38E+08 1.04E+08 Hex1Cer(d15:1_20:4)+CH3COO 2.72E+07 3.40E+07 3.91E+07 5.49E+07 5.89E+07 6.23E+07 5.71E+07 8.65E+07 5.96E+07 Hex1Cer(d18:1_18:0)+CH3COO 3251901.452 4821412.596 5898075.355 1.47E+07 1.40E+07 1.24E+07 1.46E+07 1.47E+07 1.37E+07 Hex1Cer(d18:1_18:0)-H 867068.064 518744.143 826602.437 3221312.513 3199333.756 3468771.355 3310426.306 4637081.402 4207929.794 Hex1Cer(d38:1)+CH3COO 48867.488 248749.0026 43662.5901 4369964.559 156653.2782 292870.134 503706.0285 675147.825 482518.2873 Hex1Cer(d18:1_20:0)+CH3COO 2950163.321 5038232.188 5448394.535 2.15E+07 2.13E+07 2.34E+07 2.25E+07 2.61E+07 2.85E+07 Hex1Cer(d17:1_22:0)+CH3COO_1 234285.5499 154005.6489 400938.696 617811.9519 479677.6803 2433060.038 97074.1977 613585.8234 259095.6192 Hex1Cer(d17:1_22:0)+CH3COO_2 1.19E+07 1.90E+07 2.15E+07 2.78E+07 2.66E+07 2.59E+07 2.98E+07 3.39E+07 2.81E+07 Hex1Cer(d18:1_22:0)-H 1.16E+07 1.68E+07 2.19E+07 3.11E+07 3.18E+07 3.05E+07 2.95E+07 3.62E+07 3.61E+07 Hex1Cer(d41:2)+CH3COO 178286.1627 290617.4523 150195.7026 3314827.273 4588828.227 3731462.598 2493876.954 4346598.796 6633831.68 Hex1Cer(d18:0_24:0)+CH3COO 7.99E+07 1.08E+08 1.37E+08 2.12E+08 1.76E+08 2.08E+08 1.68E+08 2.73E+08 2.17E+08 Hex1Cer(d18:0_24:1)+CH3COO 5120260.224 6479293.129 1.20E+07 1.76E+07 1.67E+07 1.37E+07 1.32E+07 1.99E+07 1.90E+07 Hex1Cer(d18:1_24:0)+CH3COO 3.57E+08 3.75E+08 5.12E+08 1.05E+09 8.48E+08 1.04E+09 8.65E+08 1.47E+09 1.05E+09 Hex1Cer(d18:1_24:0)-H 6.47E+07 9.10E+07 1.15E+08 2.01E+08 1.78E+08 1.99E+08 1.70E+08 2.64E+08 2.01E+08 Hex1Cer(d18:1_24:1)-H 1.43E+07 1.88E+07 2.69E+07 3.32E+07 3.04E+07 3.57E+07 2.77E+07 4.26E+07 4.13E+07 Hex1Cer(d42:3)+CH3COO 2385134.936 2175592.945 1818818.209 5636791.575 5623219.8 4804257.707 4812607.17 6797356.263 5779798.682 Hex1Cer(d18:1_25:0)+CH3COO 2932424.029 6756076.595 1.08E+07 1.71E+07 1.69E+07 1.69E+07 1.60E+07 2.73E+07 2.06E+07 Hex1Cer(d18:1_26:0)+CH3COO 5157354.057 6414811.366 7395203.791 1.35E+07 1.31E+07 1.18E+07 1.30E+07 1.98E+07 1.35E+07 Hex1Cer(d18:1_26:1)+CH3COO 3509009.214 4872698.741 6691091.307 1.20E+07 1.06E+07 1.17E+07 9690816.441 1.46E+07 1.12E+07 Hex1Cer(m19:0_20:0)+CH3COO 2136959.446 1529061.328 5168960.911 2243732.975 1.14E+07 3032548.365 4891746.28 8825404.572 7778528.302 Hex1Cer(t34:0)+CH3COO_1 1.98E+07 2.10E+07 1.82E+07 2.24E+07 2.16E+07 2.43E+07 1.82E+07 2.62E+07 2.49E+07 Hex1Cer(t34:0)+CH3COO_2 5094460.192 6972609.846 8825759.391 8243862.732 8808097.342 9750612.054 9215450.103 1.31E+07 1.05E+07 Hex1Cer(t35:2)-H_1 6649996.406 9244709.812 7367981.142 9086257.824 5632773.589 8727876.663 4454302.798 1.45E+07 3.39E+07 Hex1Cer(t35:2)-H_2 5.95E+07 8.73E+07 9.48E+07 1.25E+08 1.42E+08 8.43E+07 1.43E+08 1.49E+08 9.25E+07 Hex1Cer(t36:0)+CH3COO 6.35E+07 7.71E+07 9.44E+07 7.90E+07 6.60E+07 7.25E+07 5.98E+07 8.43E+07 7.55E+07 Hex1Cer(t37:0)-H 9480175.077 1.69E+07 2.23E+07 2.06E+07 1.99E+07 2.15E+07 1.87E+07 3.11E+07 1.94E+07 Hex1Cer(t37:2)-H_1 1279735.028 4978792.42 2439664.045 4293022.858 5129408.401 2413738.476 9710776.575 4776627.522 3351096.123 Hex1Cer(t37:2)-H_2 513471.3306 599949.7695 1435592.794 1478042.941 901255.4832 1384006.549 87333.078 786550.2612 319261.7469 Hex1Cer(t37:2)-H_3 0 0 363185.132 493903.963 365570.198 81076.77 213768.463 559386.351 854285.989 Hex1Cer(t37:3)-H 2.61E+07 3.89E+07 4.59E+07 2.90E+07 2.80E+07 2.69E+07 2.23E+07 3.91E+07 2.87E+07 Hex1Cer(t37:4)-H 1.42E+07 2.69E+07 2.36E+07 1.62E+07 1.46E+07 1.91E+07 1.96E+07 3.11E+07 1.62E+07 Hex1Cer(t17:0_20:4)-H_1 2.38E+07 4.44E+07 5.13E+07 3.97E+07 4.09E+07 3.36E+07 3.33E+07 5.69E+07 3.57E+07 Hex1Cer(t17:0_20:4)-H_2 4.44E+07 5.61E+07 6.73E+07 6.48E+07 5.31E+07 5.51E+07 5.17E+07 8.05E+07 5.72E+07 Hex1Cer(t17:1_20:4)-H 6.94E+07 9.72E+07 1.17E+08 1.81E+08 1.66E+08 1.67E+08 1.61E+08 2.28E+08 1.68E+08 Hex1Cer(t38:1)+CH3COO 6754811.323 1.03E+07 1.08E+07 8054903.822 6912185.192 7475410.724 9491276.345 1.06E+07 8079705.854 Hex1Cer(t16:0_22:5)-H 1021698.148 1098223.931 1603485.122 2869565.595 3101900.144 2386111.301 2211369.462 3643364.302 2773140.796 Hex1Cer(t17:1_22:0)+CH3COO 3.01E+07 3.60E+07 3.70E+07 8.05E+07 7.88E+07 8.13E+07 6.46E+07 1.02E+08 8.64E+07 Hex1Cer(t39:1)-H 4.49E+07 5.24E+07 6.24E+07 6.58E+07 7.87E+07 9.42E+07 7.04E+07 1.13E+08 8.58E+07 Hex1Cer(t39:4)-H 1.37E+07 1729196.881 2456883.566 2.21E+07 1.90E+07 1.94E+07 1.84E+07 2.15E+07 2.05E+07 Hex1Cer(t17:0_22:5)-H 2.37E+07 3.48E+07 4.13E+07 3.97E+07 3.18E+07 3.72E+07 3.72E+07 5.91E+07 3.56E+07 Hex1Cer(t20:0_20:4)+CH3COO 1614979.93 1980296.01 3019478.17 1609226.422 1543909.242 1296124.083 1072009.366 2165802.412 1021832.248 Hex1Cer(t41:1)-H 2562366.274 3885442.932 4980652.972 5855792.941 5116473.407 6720057.554 5091026.159 6482945.196 6255736.488 Hex1Cer(t41:2)-H 4747883.42 8189126.39 1.12E+07 1.17E+07 9784539.313 1.21E+07 9004201.528 1.75E+07 1.19E+07 Hex1Cer(t41:3)-H 4172531.78 6499213.034 6656104.082 7779011.191 5175680.096 7276593.359 5251106.929 8317319.722 6866446.518 Hex2Cer(d34:3)+CH3COO 1084441.874 1408158.561 1536020.245 1095877.651 899156.42 981591.944 587816.146 1550097.591 822600.752 Hex3Cer(m40:1)+CH3COO 1.52E+07 1.80E+07 1.68E+07 8064447.422 5267104.795 9335857.432 3197449.064 1957055.543 8757294.227 LPC(16:0)+CH3COO_1 0 3079826.752 4357823.32 7219291.779 9781023.227 1.06E+07 7880981.783 1.65E+07 9068311.606 LPC(16:0)+CH3COO_2 5733928.269 8495382.316 1.12E+07 1.62E+07 1.81E+07 1.50E+07 1.55E+07 2.80E+07 1.93E+07 LPC(18:0)+CH3COO 2805964.165 4898557.076 4997176.408 6824336.629 6023303.182 6955503.807 7042013.477 1.27E+07 9547712.846 LPC(18:1)+CH3COO_1 0 4827277.142 1697940.976 2092587.334 3485085.406 5920116.896 7625625.237 6222582.924 3025903.316 LPC(18:1)+CH3COO_2 6576448.523 8483528.314 1.08E+07 1.25E+07 1.10E+07 1.16E+07 1.19E+07 2.11E+07 1.18E+07 LPC(18:1e)+CH3COO 0 0 0 0 0 0 0 228847.0884 0 LPE(16:1e)-H 2.21E+07 3.19E+07 3.24E+07 2.07E+07 1.23E+07 2.54E+07 2.24E+07 3.45E+07 9691242.595 LPE(18:0)-H_1 1.35E+07 4.33E+07 3.21E+07 3.21E+07 1.68E+07 2.80E+07 3.70E+07 4.17E+07 1.39E+07 LPE(18:0)-H_2 1.18E+07 1.40E+07 1.95E+07 1.81E+07 1.98E+07 2.15E+07 1.86E+07 3.33E+07 2.28E+07 LPE(18:1)-H_1 1.91E+07 3.68E+07 4.67E+07 3.17E+07 1.98E+07 2.95E+07 3.74E+07 2.82E+07 1.18E+07 LPE(18:1)-H_2 6982335.739 7098910.894 1.38E+07 1500908.969 1.49E+07 1629305.868 1.41E+07 2.56E+07 1.48E+07 LPE(18:1)-H_3 6982335.739 2368578.122 1.38E+07 2789489.856 1.49E+07 4030630.628 4202129.467 2.56E+07 4405326 LPE(18:1e)-H 1.18E+07 2.84E+07 2.45E+07 1.46E+07 4684742.528 7279832.878 1.41E+07 1.46E+07 6667020.196 LPE(18:2e)-H_1 1.39E+07 6821692.168 1.73E+07 5049131.831 591411.343 6038518.721 7498394.839 1.46E+07 0 LPE(18:2e)-H_2 374258.8506 2578684.162 2670807.472 1556192.837 1431195.255 2672724.709 762362.195 1345218.044 507434.735 LPG(18:1)-H_1 2.25E+07 4.14E+07 3.10E+07 3.05E+07 2.33E+07 3.64E+07 4.60E+07 4.12E+07 1.56E+07 LPG(18:1)-H_2 3790984.207 4929876.816 5466088.477 8103193.183 8171460.651 1.06E+07 8596708.042 1.47E+07 9232293.078 LPI(18:1)-H_1 1.76E+07 2.31E+07 2.27E+07 1.51E+07 1.45E+07 1.37E+07 1.24E+07 2.06E+07 1.49E+07 LPI(18:1)-H_2 1.76E+07 1753547.308 2.27E+07 1.51E+07 1.45E+07 537145.5099 237914.9595 580824.897 1.49E+07 MGDG(31:1)+CH3COO_1 142705.8204 1.24E+08 7.96E+07 1.62E+07 5.30E+07 6.12E+07 2.29E+07 6405830.067 2.69E+07 MGDG(31:1)+CH3COO_2 4.60E+07 1.30E+08 1.57E+08 3.53E+08 4.26E+08 4.06E+08 3.66E+08 5.12E+08 4.09E+08 MGDG(31:1)+CH3COO_3 2.24E+08 9047348.782 8656233.343 2.10E+07 4.09E+07 2.59E+07 3.81E+07 4.08E+07 2.96E+07 MGDG(31:1)+CH3COO_4 8.44E+08 7.69E+08 8.94E+08 6.91E+08 6.26E+08 6.82E+08 5.69E+08 9.24E+08 6.92E+08 MGDG(31:1)+CH3COO_5 9271952.19 1.05E+07 9538728.371 6195458.142 5125572.433 5524322.942 9014212.004 6851452.946 6613273.661 MGDG(33:5)+CH3COO 4521400.711 9234511.248 9236175.928 3941822.019 3516597.219 3872158.658 3895307.257 6404178.269 4016273.4 MGDG(33:6)+CH3COO 5820056.865 5628286.857 6848247.37 4898459.42 3613235.154 4109081.636 3864098.729 7072804.616 4039041.883 MGDG(35:5)+CH3COO 1.67E+07 1.95E+07 2.19E+07 1.60E+07 1.79E+07 1.40E+07 1.55E+07 2.16E+07 1.50E+07 MGDG(35:6)+CH3COO_1 1183785.461 2.36E+07 2.58E+07 3.52E+07 3.28E+07 2318938.102 4761813.936 2.55E+07 7583262.597 MGDG(35:6)+CH3COO_2 5.58E+07 6.76E+07 9.36E+07 5.53E+07 5.51E+07 4.65E+07 4.67E+07 6.57E+07 4.75E+07 MGDG(37:3)-H 6.80E+07 1.05E+08 1.20E+08 1.32E+08 1.03E+08 1.23E+08 1.35E+08 1.70E+08 1.22E+08 MGDG(37:4)-H 1.84E+08 2.26E+08 2.51E+08 2.68E+08 2.19E+08 2.49E+08 1.91E+08 2.43E+08 2.47E+08 MGDG(37:6)-H 3.27E+07 3.67E+07 4.18E+07 4.82E+07 4.42E+07 5.28E+07 4.77E+07 6.59E+07 4.01E+07 MGDG(37:7)+CH3COO 2000008.986 1572622.46 2165249.134 2100263.603 1788372.43 710001.272 542838.945 1488647.895 1166574.458 MGDG(38:3)-H 806573.939 475449.4785 2290529.708 703124.7642 1503154.425 606941.4681 1877548.279 2057456.913 2022775.799 MGDG(39:4)-H 1.73E+08 2.05E+08 3.07E+08 3.42E+08 3.23E+08 2.80E+08 3.62E+08 4.22E+08 3.82E+08 MGDG(18:1_22:3)-H 7231135.968 1.03E+07 1.22E+07 1.07E+07 9419108.733 9147669.245 8508241.094 1.25E+07 9476990.855 MGDG(40:5)-H 8054031.817 8272488.364 8949657.32 7452071.427 6143012.081 7861543.36 7263253.791 7831613.645 8609120.755 MGDG(40:8)-H 1.45E+07 1.80E+07 2.39E+07 3.17E+07 2.76E+07 2.70E+07 2.58E+07 2.78E+07 2.35E+07 MGDG(41:5)-H_1 813968.324 9824182.653 6725089.63 3390160.396 2359844.11 5534164.958 2696341.816 9964853.641 2280339.002 MGDG(41:5)-H_2 2.14E+08 2.79E+08 2.68E+08 2.09E+08 2.56E+08 2.69E+08 2.60E+08 2.99E+08 2.74E+08 MGDG(42:10)+CH3COO 2668367.885 2450662.64 4137341.527 5556598.886 4514573.852 5223653.93 4423820.51 6811533.838 5429732.176 MGDG(42:11)+CH3COO 2536386.688 3263522.211 3693847.605 5754682.615 5611856.486 6097300.918 5204358.527 5061953.727 4481940.19 MGDG(43:10)-H_1 3400571.061 3793254.18 1.52E+07 1.32E+08 1.54E+08 1183280.758 1.40E+08 1135701.728 1.55E+08 MGDG(43:10)-H_2 1.00E+08 1.28E+08 1.56E+08 2.33E+08 2.04E+08 2.08E+08 1.97E+08 2.81E+08 2.02E+08 MGDG(43:11)-H_1 0 0 0 0 0 0 0 0 0 MGDG(43:11)-H_2 75517.2 1.11E+08 1.27E+08 3.27E+07 3192532.448 4984958.423 2.71E+07 1.15E+07 2.03E+07 MGDG(43:11)-H_3 8250335.392 1.69E+07 5535615.793 316611.33 1267638.9 1.73E+08 5097513.533 2.40E+08 1.80E+08 MGDG(43:11)-H_4 2.82E+07 1749976.161 1.04E+07 1805212.778 1.18E+07 2875810.92 7696839.781 2.40E+08 1.80E+08 MGDG(43:11)-H_5 7.58E+07 9.44E+07 1.24E+08 1.85E+08 1.85E+08 1.78E+08 1.97E+08 2.92E+08 2.17E+08 MGDG(43:11)-H_6 7686285.939 8554272.632 1.26E+07 1.22E+07 1.13E+07 1.35E+07 1.18E+07 2.13E+07 1.51E+07 MGDG(43:9)-H 3193196.222 4335376.537 6501826.968 4621009.021 4250189.277 4432615.571 3714981.908 6283430.415 3826390.174 MGDG(45:12)-H_1 1597206.975 3343929.331 1.80E+08 1900687.559 5621529.531 1334528.31 4555683.918 4324736.388 6041249.31 MGDG(45:12)-H_2 9771272.4 1.37E+07 1.74E+07 2.62E+07 1.88E+07 2.28E+07 2.37E+07 2.89E+07 2.47E+07 MGDG(45:12)-H_3 1.59E+08 1.77E+08 2.27E+08 1.65E+08 1.48E+08 1.65E+08 1.45E+08 2.14E+08 1.71E+08 MLCL(52:2)-2H 2805960.09 4898557.076 5002049.323 6824336.629 6023303.182 6955503.807 7042013.477 1.27E+07 9547712.846 MLCL(52:6)-2H 4181332.498 4945325.372 4270572.098 3991954.538 3158067.117 3753770.717 3810403.542 3231004.31 3797069.564 MLCL(58:3)-2H_1 1186331.305 7855107.842 8560508.827 292896.6258 5936626.505 5711505.386 3817296.22 431992.5039 1001604.78 MLCL(58:3)-2H_2 9255302.517 2961432.816 1588339.846 1.16E+07 1279948.92 2652046.55 1379778.265 7471086.243 1.04E+07 OAHFA(34:2)-H_1 1.50E+07 1.55E+08 3959219.003 1.18E+08 3866229.652 1.30E+08 1.48E+07 8801752.53 2.87E+07 OAHFA(34:2)-H_2 4.11E+08 3.92E+08 4.19E+08 3.26E+08 3.31E+08 4.50E+08 5.77E+08 5.83E+08 4.71E+08 OAHFA(36:1)-H 155327.9376 323952.092 336948.256 187131.6843 166208.568 530044.35 542841.7185 1574479.267 2049873.338 OAHFA(37:1)-H 4299909.428 5664306.109 9022989.507 4048617.768 7945705.928 8697075.853 5710140.001 7913327.285 4753491.456 OAHFA(37:2)-H 3.88E+07 5.59E+07 5.07E+07 3.90E+07 5.78E+07 6.46E+07 5.99E+07 7.04E+07 6.41E+07 OAHFA(38:2)-H 1.20E+09 1.19E+09 1.11E+09 3.72E+08 1.23E+09 1.25E+09 2.10E+08 1.22E+09 1.26E+09 OAHFA(38:4)-H 375612.397 694364.445 1415997.087 1480606.741 1337939.442 2005792.98 1624739.706 2725628.706 1224224.398 OAHFA(41:3)-H 7111478.623 3264956.449 5005867.576 5565650.217 4299799.91 7672034.705 2780498.753 6330266.221 7401005.944 OAHFA(42:2)-H 4.57E+07 3.84E+07 3.51E+07 3.38E+07 3.58E+07 3.75E+07 3.74E+07 3.03E+07 3.21E+07 OAHFA(44:2)-H 3.52E+07 2.30E+07 3.11E+07 2.49E+07 2.91E+07 3.14E+07 2.65E+07 2.68E+07 2.92E+07 OAHFA(46:2)-H 2.51E+08 2.20E+08 2.20E+08 2.06E+08 2.01E+08 2.29E+08 2.29E+08 2.06E+08 2.22E+08 PA(18:0e_16:0)-H 51233.1882 77688.6162 633306.1578 2895388.459 1037182.991 2762834.616 1892801.578 3048041.798 3245325.592 PA(24:0_24:0)-H 2.15E+08 2.99E+08 4.10E+08 7.30E+08 6.51E+08 7.37E+08 6.11E+08 9.98E+08 7.90E+08 PA(30:0_18:1)-H 3.81E+07 4.90E+07 5.17E+07 1.17E+08 1.05E+08 1.10E+08 8.93E+07 1.26E+08 9.77E+07 PC(14:0_14:0)+CH3COO_1 0 9136.476 641382.1788 769439.6424 187332.5388 734945.6796 224723.5716 880542.2103 265142.538 PC(14:0_14:0)+CH3COO_2 980396.3886 3198343.602 5634024.664 7821178.667 1830074.777 5944383.263 5535535.209 1.37E+07 5798178.317 PC(14:0_14:0)+CH3COO_3 1.66E+07 2.03E+07 2.82E+07 2.05E+07 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2290748.693 8157681.152 5619070.281 PG(18:1_14:0)-H 1.99E+07 2.37E+07 2.85E+07 1.94E+07 1.61E+07 1.82E+07 1.61E+07 2.83E+07 1.89E+07 PG(16:1_16:1)-H 6939896.839 7535735.174 9391757.465 5639131.63 5519346.408 5919703.635 5246047.536 8592764.407 5231398.696 PG(17:1_16:0)-H 1965334.278 2430507.386 4027896.021 2313749.349 2513139.873 2474918.238 2225850.006 3162672.281 2657843.009 PG(17:1_16:1)-H 1267217.231 1384412.485 1510998.158 1395616.293 1143079.34 1213803.883 672263.379 1860307.195 1361224.205 PG(16:0_18:1)-H_1 7217383.076 1.39E+07 2.12E+07 7.23E+07 7.64E+07 7.98E+07 7.77E+07 1.07E+08 1.49E+07 PG(16:0_18:1)-H_2 5060793.627 8667155.973 8163085.53 7.23E+07 7.64E+07 7.98E+07 1.76E+07 1.07E+08 9.51E+07 PG(16:0_18:1)-H_3 1.21E+08 1.21E+08 1.59E+08 1.21E+08 1.13E+08 1.22E+08 1.13E+08 1.78E+08 1.31E+08 PG(16:0_18:1)-H_4 2.30E+07 2.70E+07 3.45E+07 3.35E+07 3.08E+07 3.45E+07 3.04E+07 4.50E+07 3.72E+07 PG(16:1_18:1)-H_1 0 0 0 0 0 0 0 0 0 PG(16:1_18:1)-H_2 0 1.35E+07 853709.7462 495.488 212887.9377 808541.8917 81445.848 0 0 PG(16:1_18:1)-H_3 7293567.748 2.26E+07 4.59E+07 8.38E+07 1.01E+08 7.46E+07 9.74E+07 1.20E+08 9.86E+07 PG(16:1_18:1)-H_4 5.76E+07 1.03E+07 1.07E+07 2.27E+07 1.73E+07 1.03E+07 1.88E+07 2.09E+07 3.27E+07 PG(16:1_18:1)-H_5 1.35E+08 1.49E+08 1.82E+08 1.49E+08 1.30E+08 1.30E+08 1.22E+08 1.69E+08 1.31E+08 PG(16:1_18:2)-H 2130375.021 7380424.504 7451247.585 5939543.703 3809475 2860904.456 2142953.23 8565416.416 5118776.683 PG(17:1_18:1)-H_1 270267.6261 8777666.12 8591869.129 1666506.288 2892344.09 7509816.2 1.03E+07 1812688.855 1.30E+07 PG(17:1_18:1)-H_2 1165907.191 3850661.091 2690727.99 802645.8774 1.03E+07 1299958.895 1555448.413 3009834.704 265275.1137 PG(18:0_18:0)-H 5226741.027 5737998.669 6829842.104 4897254.788 6553675.305 5158988.328 4484532.767 7435396.222 5493340.118 PG(36:0)-H_1 1508392.781 2259874.197 2331421.49 1431545.495 2224859.787 2061040.079 305967.891 2221406.884 2309307.946 PG(36:0)-H_2 520524.5112 3904664.405 2267664.508 1450345.856 6503428.56 5968342.251 769993.9149 189247.7397 591141.4911 PG(36:0)-H_3 306710.9169 472956.0783 235752.0231 7667852.568 428797.0566 779552.424 9276233.611 7974194.546 3970094.868 PG(18:0_18:1)-H_1 562240.4793 4.35E+07 5.34E+07 3742412.33 5.03E+07 1274238.139 4.46E+07 1.20E+07 3.64E+07 PG(18:0_18:1)-H_2 5.46E+07 6.73E+07 7.50E+07 5.12E+07 4.67E+07 5.07E+07 4.28E+07 6.82E+07 4.81E+07 PG(18:0_18:1)-H_3 1.49E+08 1.74E+08 2.00E+08 1.75E+08 1.42E+08 1.61E+08 1.47E+08 2.10E+08 1.75E+08 PG(18:0_18:1)-H_4 2.47E+07 2.21E+07 3.83E+07 3.50E+07 1.63E+07 1.76E+07 3.31E+07 2.10E+07 1.56E+07 PG(18:0_18:1)-H_5 1.08E+07 1.50E+07 1.79E+07 1.91E+07 1.70E+07 1.72E+07 1.58E+07 2.42E+07 1.73E+07 PG(18:1_18:1)-H_1 200585.2719 8.35E+07 9.63E+07 1.27E+07 6.60E+07 6.00E+07 3.45E+07 1.20E+07 4.06E+07 PG(18:1_18:1)-H_2 1.52E+07 2.65E+07 5.89E+07 1.44E+07 2.25E+07 2236875.96 4844757.27 4.26E+07 1.31E+07 PG(18:1_18:1)-H_3 6.66E+08 6.30E+08 7.53E+08 6.51E+08 6.09E+08 6.90E+08 6.00E+08 9.83E+08 7.00E+08 PG(18:1_18:2)-H_1 158263.4724 6.12E+07 1.87E+07 962617.6899 4622522.258 3.59E+07 6179404.732 1530653.942 2548298.423 PG(18:1_18:2)-H_2 4942689.973 1.47E+07 5.19E+07 2.71E+07 2.97E+07 2448988.574 4289030.385 4.56E+07 5869175.25 PG(18:1_18:2)-H_3 7.40E+07 8.42E+07 8.49E+07 6.17E+07 5.60E+07 5.98E+07 5.34E+07 8.12E+07 5.84E+07 PG(18:1_18:3)-H 7027521.665 7663186.387 9087378.024 5033314.139 4666771.411 4813082.804 4348146.85 7258685.316 4562573.029 PG(19:1_18:1)-H 1.39E+07 1.76E+07 2.38E+07 2.16E+07 1.68E+07 1.67E+07 1.56E+07 2.48E+07 1.74E+07 PG(17:1_20:2)-H 4063163.006 737090.5584 4742288.505 3343556.102 3216666.883 3007493.16 2570504.681 5666269.761 4073115.255 PG(18:0_20:1)-H_1 2070387.343 1315463.56 2519285.307 2759601.186 3449995.701 2514671.572 2334555.062 2934595.418 1613362.57 PG(18:0_20:1)-H_2 7801461.676 5874610.289 6931495.746 4222475.204 3145868.132 3910513.113 4066698.354 4841018.015 4270784.997 PG(20:1_18:1)-H 5.62E+07 6.78E+07 8.05E+07 6.24E+07 5.50E+07 6.36E+07 5.49E+07 1.02E+08 6.77E+07 PG(18:1_20:2)-H_1 771593.1165 2.90E+07 1.03E+07 1.82E+07 2.23E+07 2.35E+07 2.25E+07 2.76E+07 406512.8136 PG(18:1_20:2)-H_2 1288914.926 4092484.652 1474800.439 1.82E+07 2.23E+07 1757231.146 1584289.455 350675.0901 632184.3792 PG(18:1_20:2)-H_3 4.56E+07 5.72E+07 6.99E+07 5.24E+07 4.56E+07 5.07E+07 4.43E+07 7.03E+07 4.57E+07 PG(18:1_20:3)-H 3.21E+07 3.03E+07 3.58E+07 2.28E+07 1.92E+07 917819.7888 2.05E+07 3.09E+07 1.17E+07 PG(18:1_20:4)-H 1.17E+07 1.12E+07 1.52E+07 1.12E+07 7377442.233 8834343.712 9009752.005 1.12E+07 9441817.611 PG(16:1_22:6)-H 4995805.363 5027316.637 6940126.164 5261309.752 3925551.974 3975936.187 3977646.788 6241716.073 3694909.275 PG(39:1)-H 3803687.098 4889741.503 6452540.578 653053.251 1319564.233 773860.346 2273530.507 1663127.571 1777359.935 PG(20:1_20:2)-H 2571754.942 3552607.202 807007.0956 2945917.928 2917880.043 2894140.821 1138698.782 4210280.979 2658489.993 PG(18:1_22:3)-H 790614.7968 7159231.385 5007895.998 4916142.129 3650481.857 3048490.112 2764662.819 6309527.056 2914591.426 PG(18:1_22:4)-H 3063985.902 5375608.955 4791369.464 4548804.491 1996103.076 3381644.898 2624182.025 4454259.254 1818390.713 PG(18:1_22:5)-H 1.21E+07 1.62E+07 1.81E+07 1.00E+07 1.07E+07 1.08E+07 1.12E+07 1.66E+07 1.07E+07 PG(18:1_22:6)-H_1 3169801.404 5.92E+07 5.22E+07 1.07E+07 9369612.76 5986900.058 1.62E+07 1.72E+07 8618644.116 PG(18:1_22:6)-H_2 2.25E+07 7546930.526 9335508.936 3.93E+07 3.80E+07 7356699.4 1.14E+07 1.74E+07 9112177.011 PG(18:1_22:6)-H_3 6.77E+07 7.64E+07 8.66E+07 5.75E+07 5.19E+07 5.27E+07 5.32E+07 7.66E+07 5.25E+07 PG(18:2_22:6)-H 3089905.909 3555368.943 3503672.896 1381058.219 1934831.531 2105872.782 1679332.889 2479651.293 1893615.512 PI(16:0_16:0)-H 3153046.375 4677133.57 5917064.746 1.34E+07 1.20E+07 1.51E+07 1.38E+07 1.91E+07 1.36E+07 PI(18:0_16:0)-H 6697709.2 8445599.307 8888484.628 1.32E+07 1.32E+07 1.41E+07 1.14E+07 2.08E+07 1.65E+07 PI(16:0_18:1)-H 5.39E+07 6.64E+07 8.12E+07 1.24E+08 1.08E+08 1.18E+08 1.07E+08 1.70E+08 1.24E+08 PI(18:0_16:1)-H_1 9197784.9 1.22E+07 1.43E+07 2.26E+07 5.00E+07 6.44E+07 5.75E+07 7.87E+07 5.66E+07 PI(18:0_16:1)-H_2 4.13E+07 4.52E+07 4.58E+07 7.01E+07 5.00E+07 6.44E+07 5.75E+07 7.87E+07 5.66E+07 PI(16:0e_18:1)-H 2155632.478 2963212.996 3464941.322 4227250.968 3655918.772 3839340.272 3216963.351 6727770.477 4174811.858 PI(16:1_18:1)-H_1 2999257.318 238741.376 2015143.122 9170865.527 9769963.309 5417260.122 4046545.127 1.54E+07 849353.0775 PI(16:1_18:1)-H_2 1.73E+07 1.96E+07 2.32E+07 4.21E+07 3.20E+07 4.14E+07 3.82E+07 5.28E+07 3.75E+07 PI(17:0_18:1)-H 287305.4241 2356501.758 3874272.564 6754838.676 8452367.481 1.03E+07 9385164.396 1.34E+07 9800917.357 PI(17:1_18:1)-H 457251.063 712994.402 189123.1755 990158.973 466988.571 732253.865 384813.9753 2306060.559 1942964.082 PI(20:0_16:0)-H_1 3051049.088 3540293.774 4419006.226 1492134.562 3432499.207 4170751.175 1458454.498 4431645.231 3378825.542 PI(20:0_16:0)-H_2 3193196.222 4335376.537 6501826.968 4621009.021 4250189.277 4432615.571 3714981.908 6283430.415 3826390.174 PI(18:0_18:1)-H 8827409.886 1.05E+07 1.04E+07 9118347.789 2.04E+07 2395665.091 2665975.466 1.32E+07 2.51E+07 PI(18:0e_18:1)-H 548868.3285 2413566.997 1475447.638 577648.0284 1558144.642 2402218.639 450487.6365 3712849.488 3062959.686 PI(18:1_18:1)-H_1 75517.2 4452586.643 1.27E+08 2.52E+07 3192532.448 4984958.423 2309681.077 1.15E+07 4.15E+07 PI(18:1_18:1)-H_2 7.58E+07 9.44E+07 1.24E+08 1.85E+08 1.85E+08 1.78E+08 1.97E+08 2.92E+08 2.17E+08 PI(18:1e_18:1)-H 1589176.858 2036479.825 2705925.304 2330062.684 1532638.824 1830178.745 1665702.152 2382147.165 1668598.804 PI(16:0_20:4)-H 9587488.701 1.24E+07 1.58E+07 1.60E+07 1.09E+07 1.50E+07 1.34E+07 1.84E+07 1.30E+07 PI(18:4_18:0)-H 4676145.399 4322488.099 4365028.767 7842517.5 5885664.779 6149868.892 1141977.13 7127543.548 5119689.648 PI(19:1_18:0)-H 2249156.503 1599948.722 1993522.767 3675916.165 2320644.036 2230934.152 2797663.668 3981917.092 2478811.098 PI(17:0_20:3)-H 6744383.896 8522548.399 7942833.816 7228110.983 5633241.657 7673064.143 6884360.55 9581554.051 7611577.519 PI(17:0_20:4)-H 108729.134 536015.145 570838.744 610538.686 943589.196 445275.759 592680.052 1664674.355 546947.604 PI(20:0_18:1)-H 3564163.568 3676255.862 3565380.281 6162962.241 4188681.275 4464358.998 4652668.538 5960480.039 5023438.737 PI(18:0_20:1)-H 1675696.931 2725695.464 2730410.492 5564080.425 3290025.221 1599786.464 5146801.696 7641176.762 6084045.778 PI(18:0_20:2)-H_1 0 971023.3032 2.77E+07 1925660.346 540761.8029 505015.0812 1062659.161 1218012.697 3641135.098 PI(18:0_20:2)-H_2 2147683.662 1417498.54 54602.4204 1917983.802 966696.9264 1.96E+07 2754894.754 1059236.056 526067.0316 PI(18:0_20:2)-H_3 8293198.556 3090540.986 2065348.877 1.34E+07 1.47E+07 1.54E+07 485624.8716 1.19E+07 1612348.454 PI(18:0_20:3)-H_1 2454259.181 1.65E+08 1.66E+07 1689525.674 8353467.432 6963024.242 2520985.232 1499353.757 3050112.398 PI(18:0_20:3)-H_2 1597206.975 3343929.331 1.80E+08 5724462.698 5621529.531 818660.4492 4555683.918 4324736.388 6041249.31 PI(18:0_20:3)-H_3 1336597.898 3346211.897 2.53E+07 6005962.067 1.37E+08 5124172.101 6384241.665 9036014.678 5813955.666 PI(18:1_20:2)-H 2.12E+07 1.57E+07 1.75E+07 5553585.032 1.37E+07 2.13E+07 2.61E+07 2.16E+07 4770480.645 PI(18:0_20:3)-H_4 9771272.4 1.37E+07 1.74E+07 2.62E+07 1.88E+07 2.28E+07 2.37E+07 2.89E+07 2.47E+07 PI(18:0_20:3)-H 1.38E+08 1.65E+08 2.27E+08 1.64E+08 1.47E+08 1.65E+08 1.45E+08 2.10E+08 1.66E+08 PI(18:0e_20:3)-H 3937320.599 3639910.55 4379420.98 1493886.078 939220.066 1705454.58 1532395.263 1368786.018 1057316.424 PI(18:0_20:4)-H_1 0 0 0 0 0 0 0 0 0 PI(18:1_20:3)-H_1 154471.1145 1.08E+08 2.17E+07 6978361.031 1569664.663 1.10E+08 5137939.891 9484540.421 3409184.985 PI(18:0_20:4)-H_2 4.76E+07 9057376.315 1.90E+07 1.14E+08 5954267.212 990060.4704 4512366.635 1.27E+08 1.77E+07 PI(18:1_20:3)-H_2 4125020.44 4314172.366 5378144.715 5214718.477 4427355.038 4283669.252 4329548.859 6350446.562 4298828.627 PI(18:1_20:3)-H_3 2.37E+07 4.14E+07 3.91E+07 4.55E+07 2.40E+07 3.75E+07 1.68E+07 3.33E+07 1.26E+07 PI(18:0_20:4)-H_3 1.03E+08 1.19E+08 1.36E+08 1.36E+08 1.07E+08 1.09E+08 1.08E+08 1.37E+08 1.35E+08 PI(18:1_20:4)-H_1 1.30E+07 5889056.872 1.25E+07 1.52E+07 2.02E+07 1.63E+07 3799208 4.40E+07 3894009.924 PI(18:1_20:4)-H_2 2.51E+07 3.18E+07 4.13E+07 3.94E+07 3.25E+07 3.95E+07 3.72E+07 5.15E+07 3.98E+07 PI(18:1e_20:4)-H 2236062.593 2345578.071 2495141.571 1561236.372 1370859.321 1212836.678 1025837.817 1449301.291 1456852.626 PI(18:1_20:5)-H 549203.833 1475244.623 1771432.398 2261498.174 1517600.031 2451188.128 2016274.249 3809696.293 2120169.387 PI(39:3)-H 1174518.498 1148881.579 2061951.455 1436495.915 1475438.226 1841902.081 1292970.051 3269231.21 1820716.133 PI(18:0_22:3)-H 2318182.132 2649744.707 3425212.391 3087923.685 1932517.21 2241374.884 1798070.148 3452312.298 2272892.705 PI(18:0_22:5)-H 9447670.449 9324416.978 9625793.217 1.02E+07 7454036.244 1.02E+07 8967737.242 9552413.183 8791205.819 PI(18:1_22:5)-H 301608.7803 198860.2434 497772.9504 444351.3822 1295993.238 867472.6437 430341.4953 980343.9369 745425.948 PI(18:0_22:6)-H 4571006.274 5294600.713 7019870.996 7501435.546 6455860.516 6693158.416 6404639.956 1.03E+07 7396916.443 PI(18:1_22:6)-H 1362909.566 1586094.917 1825220.355 1965383.525 1656112.612 2136723.315 1829921.02 2339056.773 1836826.62 PIP(16:0e_16:0)-H 445242.478 691223.908 1614464.16 2380711.348 1963739.44 2154499.459 1953872.032 3816827.817 1971379.743 PS(16:0_16:1)-H_1 335010.4011 0 1579911.588 425714.0976 741610.3755 634594.5765 953223.3549 2501367.814 1485182.335 PS(16:0_16:1)-H_2 7431481.436 7558059.239 1.41E+07 2.04E+07 1.71E+07 2.10E+07 1.92E+07 3.14E+07 1.62E+07 PS(16:0_18:1)-H_1 0 0 0 0 0 0 0 0 0 PS(16:0_18:1)-H_2 2081623.182 4.40E+07 6.22E+07 4.70E+07 1.09E+08 1.12E+08 6.80E+07 8688001.069 879799.935 PS(16:0_18:1)-H_3 2132397.553 1477033.943 1920212.171 4248467.69 1833623.135 2866042.256 3818007.746 3163446.814 2939633.255 PS(18:0_18:1)-H_1 3449228.89 49265.8875 2538703.766 735447.7005 4308312.537 5459027.85 1769222.573 874001.2638 1509544.134 PS(18:0_18:1)-H_2 9932845.717 2.06E+08 1.17E+07 2.26E+08 2.98E+08 9723214.687 2.87E+08 1.84E+07 1.52E+07 PS(18:0_18:1)-H_3 3.65E+07 2783588.79 3609188.423 2.40E+07 896875.32 8.00E+07 3152055.922 3.53E+08 2.11E+08 PS(18:0_18:1)-H_4 5.39E+07 4.81E+07 7.47E+07 3.28E+08 2.94E+08 3.43E+08 1.57E+08 2.79E+08 1.03E+08 PS(18:0_18:1)-H_5 2.54E+08 2.18E+08 2.26E+08 2.72E+08 2.09E+08 2.72E+08 2.23E+08 1.89E+08 2.33E+08 PS(18:1_18:1)-H_1 0 0 0 0 0 0 0 0 0 PS(18:1_18:1)-H_2 0 2889290.598 402485.439 0 148913.424 467334.4896 0 0 0 PS(18:1_18:1)-H_3 131473.2837 1182448.672 759119.985 2883669.427 1004703.578 1034119.939 997712.2377 9116747.948 1984384.638 PS(18:1_18:1)-H_4 2131266.161 76136.544 1360562.101 715122.111 2609214.803 7.15E+07 416276.5338 8.63E+07 1583152.353 PS(18:1_18:1)-H_5 5.80E+07 7.03E+07 8.59E+07 1.24E+08 1.01E+08 1.22E+08 1.10E+08 1.49E+08 9.68E+07 PS(36:3)-H 1848386.588 1409076.935 559365.0159 3183540.152 2593073.832 2866489.231 3143914.379 2896794.143 2636770.231 PS(36:4)-H 1.51E+07 1.54E+07 1.95E+07 2.70E+07 2.33E+07 2.29E+07 2.44E+07 2.54E+07 2.14E+07 PS(19:1_18:0)-H 6554541.3 7006163.383 7303463.976 1.15E+07 7314703.438 1.04E+07 8777712.265 1.27E+07 7058206.35 PS(16:1_22:0)-H 2645698.342 3.54E+07 3.79E+07 2879341.269 3074976.434 7428922.336 2.21E+07 6203227.771 6184147.437 PS(18:0_20:1)-H_1 216604.704 1957783.513 181813.6644 85636.5732 179991.8493 266794.7148 2458753.647 529489.1934 576140.79 PS(18:0_20:1)-H_2 8228635.581 1.20E+07 8544299.2 1.47E+07 1.39E+07 1.32E+07 1.03E+07 1.52E+07 1.01E+07 PS(18:0_20:2)-H 1.03E+07 1.23E+07 1.56E+07 2.36E+07 1.50E+07 1.64E+07 2.08E+07 2.79E+07 1.28E+07 PS(18:0_20:3)-H 2777178.596 1.05E+07 1.36E+07 3.72E+07 3.39E+07 3.69E+07 3.19E+07 3.12E+07 1.70E+07 PS(38:3)-H 183713.0019 177833.3208 772110.496 267411.2088 335201.3991 156945.0324 410504.2302 556423.6953 662510.926 PS(18:0_20:4)-H 1.10E+07 2.05E+07 1.78E+07 2.00E+07 1.98E+07 2.08E+07 1.66E+07 3.18E+07 1.70E+07 PS(38:4e)-H 3801600.019 5799421.834 6513839.063 6557239.397 613434.2784 6057405.488 6132605.454 8985621.017 6297557.257 PS(16:0_22:6)-H 5052588.782 5185825.007 7403385.28 1.50E+07 1.26E+07 1.52E+07 1.41E+07 2.02E+07 1.36E+07 PS(18:0_22:5)-H 457723.8759 2578437.401 99263.5143 979637.4108 1874578.257 1235590.991 1722031.824 345631.5765 8596084.544 PS(40:5)-H 2.52E+07 2.99E+07 3.79E+07 6.08E+07 5.53E+07 5.71E+07 4.98E+07 8.15E+07 5.99E+07 PS(18:0_22:6)-H_1 108762.4551 1467011.739 1709919.734 1580724.683 3751591.058 5.93E+07 4622022.101 4916855.114 2969490.703 PS(18:0_22:6)-H_2 7.79E+07 8.18E+07 8.51E+07 1.24E+08 1.06E+08 1.13E+08 1.03E+08 1.35E+08 9.33E+07 PS(42:7)-H 6348087.894 8448078.832 9403916.358 7978365.296 6429452.731 7816590.031 6441679.641 1.22E+07 9308036.587 PS(42:8)-H 5511971.088 4863116.886 5478342.74 9494957.891 7367630.287 9010155.47 9711588.713 8232331.226 7403947.425 SM(d32:1)+CH3COO 7579430.647 8967932.768 1.12E+07 1.25E+07 1.22E+07 1.27E+07 1.18E+07 1.78E+07 1.50E+07 SM(d38:1)+CH3COO 2675163.374 3795201.251 4585060.187 1.22E+07 1.23E+07 1.39E+07 1.21E+07 1.91E+07 1.46E+07 SM(d39:1)+CH3COO_1 779780.66 1198023.631 1491396.985 2172299.32 2091082.948 2321629.259 2304517.038 3548979.696 2654621.892 SM(d39:1)+CH3COO_2 3115469.337 3194337.95 5650004.391 7026220.414 5800237.859 5674602.149 5490435.078 8768321.939 5869038.614 SM(d41:1)+CH3COO_1 2384681.193 1.01E+07 4850273.067 8899650.748 7359364.981 6684084.189 6714121.146 6401873.89 6220693.227 SM(d41:1)+CH3COO_2 2873937.928 213756.0051 5907114.025 1018020.667 1.01E+07 9809492.364 9289997.306 1.37E+07 1.14E+07 SM(d41:2)+CH3COO 1.06E+07 898513.5213 1.46E+07 2.14E+07 1.72E+07 1.88E+07 1.88E+07 1.95E+07 2.11E+07 SM(d42:0)+CH3COO 3.01E+07 3.58E+07 4.55E+07 5.50E+07 6.18E+07 6.27E+07 5.77E+07 8.47E+07 7.38E+07 SM(d42:1)+CH3COO_1 1.50E+07 1.55E+07 1.99E+07 3.01E+07 2.83E+07 2.99E+07 2.47E+07 4.04E+07 2.99E+07 SM(d42:1)+CH3COO_2 2.12E+08 2.59E+08 2.75E+08 4.18E+08 3.92E+08 4.56E+08 3.90E+08 6.18E+08 4.97E+08 SM(d42:2)+CH3COO_1 121861.6119 490512.852 868254.9429 515004.6705 2.60E+07 1549163.597 2.24E+07 2.22E+07 649766.5614 SM(d42:2)+CH3COO_2 1.29E+07 5.97E+07 5.74E+07 4.93E+07 5.23E+07 4.99E+07 4.76E+07 4.82E+07 5.47E+07 SM(d42:2)+CH3COO_3 8.75E+07 1.11E+08 1.62E+08 2.32E+08 1.99E+08 2.38E+08 1.98E+08 3.44E+08 2.51E+08 SM(d42:2)+CH3COO_4 4912347.181 5847500.63 7371486.78 8487272.807 1.41E+07 1.69E+07 1.74E+07 1.66E+07 1.94E+07 SM(d43:2)+CH3COO 1459604.511 4139130.714 3968454.277 5719748.642 3925281.176 5185357.701 4579558.402 6525540.179 6361709.743 SM(d44:2)+CH3COO 1072447.032 1180787.984 1985191.496 3020093.206 2904620.852 2864150.936 1702834.26 4893465.548 3151806.982 SM(t33:1)+CH3COO 1217563.321 1105492.512 1613650.686 1334122.253 1600878.986 1277173.562 1556411.103 2012679.021 1743370.499 SM(t39:0)+CH3COO 1.23E+07 1.65E+07 1.91E+07 2.90E+07 3.00E+07 2.67E+07 2.26E+07 3.37E+07 3.56E+07 SM(t39:1)+CH3COO 2695763.908 3911770.378 3886086.16 6708151.045 6303217.795 5831879.796 5273714.242 6502543.235 6073765.945 SM(t41:2)+CH3COO 345495.363 239215.2591 383428.526 1371498.186 174291.1911 425332.5045 130590.5601 256449.6186 2395588.794 WE(25:0)-H 5.68E+08 5.17E+08 6.83E+08 5.42E+08 5.93E+08 6.98E+08 6.16E+08 7.31E+08 7.40E+08 WE(29:0)-H_1 4.57E+07 4.12E+07 5.70E+07 4.64E+07 5.54E+07 1.49E+08 1949935.419 4066870.455 5714707.02 WE(29:0)-H_2 3170609.067 4.06E+07 5.68E+07 4.55E+07 5.79E+07 2149198.433 6.01E+07 6.80E+07 6.51E+07 WE(29:0)-H_3 2.56E+08 2.40E+08 3.04E+08 2.53E+08 2.87E+08 3.16E+08 2.94E+08 3.28E+08 3.32E+08 WE(29:0)-H_4 3.98E+07 1.08E+07 2.85E+07 2.44E+07 6.79E+07 3.54E+07 7.96E+07 3.82E+07 3.18E+07 WE(30:0)-H 7.46E+08 6.90E+08 9.21E+08 7.10E+08 7.86E+08 9.42E+08 8.03E+08 9.59E+08 9.52E+08 WE(31:0)-H 3.85E+08 3.78E+08 4.66E+08 3.63E+08 4.12E+08 5.02E+08 4.07E+08 5.07E+08 4.88E+08 WE(33:0)-H 4.03E+08 1.47E+08 4.67E+08 3.66E+08 1.32E+08 4.52E+08 4.15E+08 3.80E+08 5.11E+08 WE(36:0)-H 1.42E+08 1.47E+08 1.55E+08 1.09E+08 1.24E+08 1.69E+08 1.53E+08 1.63E+08 2.35E+08 WE(38:0)-H 4.07E+08 4.05E+08 5.42E+08 4.34E+08 4.83E+08 5.45E+08 4.97E+08 5.84E+08 5.74E+08 WE(40:0)-H 5.34E+08 4.64E+08 5.10E+08 4.65E+08 4.99E+08 6.22E+08 5.42E+08 6.08E+08 4.15E+08 WE(42:0)-H 6.14E+08 5.61E+08 6.99E+08 5.21E+08 6.41E+08 7.74E+08 6.54E+08 7.61E+08 7.52E+08 dMePE(16:0_14:0)-H_1 1015432.905 2111777.647 1386523.058 1663580.901 2021890.341 1669115.053 1367156.269 3299220.053 4208234.269 dMePE(16:0_14:0)-H_2 4927088.123 7178673.213 7990481.959 9188033.106 2689627.341 1.01E+07 8939356.422 1.14E+07 1.05E+07 dMePE(18:0_16:0)-H 114625.724 816337.164 1097457.99 356204.1873 167560.0776 193952.758 48892.0254 571076.425 204544.992 dMePE(16:0_18:1)-H 2.41E+07 1.50E+07 1089959.152 461134.08 5314180.529 650619.7434 4310323.962 4411674.902 1143738.922 dMePE(18:0_18:1)-H 690196.896 1490234.92 1532408.623 1878992.101 303042.952 1657400.801 1522493.42 1583035.915 757095.6852 dMePE(18:1_18:1)-H 2581251.014 3620133.629 3733205.779 3331739.82 3182269.826 3845674.124 3451343.536 5040347.371 2903376.302 phSM(t36:1)+CH3COO 1.29E+07 1.34E+07 1.95E+07 1.92E+07 1.44E+07 1.99E+07 1.07E+07 2.62E+07 2.02E+07 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Mz RT BiotinylPE(23:1)-H 788.429 9.122 BiotinylPE(26:1)-H 830.476 14.198 BiotinylPE(27:1)-H_1 844.4916 14.036 BiotinylPE(27:1)-H_2 844.4916 16.874 BiotinylPE(32:3)-H 910.5386 10.296 CL(68:4)-H 1399.965 23.906 CL(68:6)-2H_1 697.4632 5.15 CL(68:6)-2H_2 697.4632 6.05 CL(68:6)-2H_3 697.4632 6.269 CL(70:4)-H 1427.9963 24.322 CL(70:5)-2H 712.4867 24.002 CL(73:2)-2H 736.5336 11.715 CL(74:2)-2H 743.5414 14.2 CL(74:6)-2H_1 739.5101 7.074 CL(74:6)-2H_2 739.5101 11.764 CL(75:2)-2H_1 750.5493 14.029 CL(75:2)-2H_2 750.5493 15.18 CL(75:3)-2H 749.5414 11.644 CL(75:4)-2H 748.5336 13.569 CL(75:6)-2H 746.518 12.249 CL(76:6)-2H 753.5258 7.245 CL(77:4)-2H 762.5493 14.812 CL(77:6)-2H_1 760.5336 13.603 CL(77:6)-2H_2 760.5336 14.085 CL(77:7)-2H_1 759.5258 7.978 CL(77:7)-2H_2 759.5258 9.854 CL(79:11)-2H 769.5101 9.06 CL(79:3)-2H 777.5727 13.555 CL(79:4)-2H_1 776.5649 15.287 CL(79:4)-2H_2 776.5649 16.165 CL(79:5)-2H_1 775.5571 9.54 CL(79:5)-2H_2 775.5571 11.793 CL(79:5)-2H_3 775.5571 13.375 CL(79:6)-2H_1 774.5493 13.761 CL(79:6)-2H_2 774.5493 15.384 CL(79:7)-2H_1 773.5414 8.655 CL(79:7)-2H_2 773.5414 8.769 CL(79:7)-2H_3 773.5414 8.991 CL(79:7)-2H_4 773.5414 10.479 CL(79:7)-2H_5 773.5414 11.709 CL(79:8)-2H_1 772.5336 12.175 CL(79:8)-2H_2 772.5336 13.111 CL(79:9)-2H_1 771.5258 7.858 CL(79:9)-2H_2 771.5258 8.366 CL(79:9)-2H_3 771.5258 9.645 CL(81:2)-2H 792.5962 16.584 CL(81:7)-2H 787.5571 11.189 CL(83:11)-2H 797.5414 10.05 CL(83:13)-2H 795.5258 9.507 CL(83:15)-2H_1 793.5101 8.919 CL(83:15)-2H_2 793.5101 9.17 CL(83:17)-2H 791.4945 8.473 CL(83:5)-2H 803.5884 14.032 CL(83:6)-2H 802.5806 17.007 CL(83:7)-2H 801.5727 12.067 CL(83:9)-2H_1 799.5571 8.878 CL(83:9)-2H_2 799.5571 10.802 CL(85:9)-2H 813.5727 11.606 CL(86:8)-2H 821.5884 7.12 CL(87:11)-2H 825.5727 11.43 CL(87:13)-2H 823.5571 10.305 CL(87:15)-2H 821.5414 9.63 CL(87:17)-2H_1 819.5258 7.809 CL(87:17)-2H_2 819.5258 7.979 CL(87:17)-2H_3 819.5258 9.331 CL(87:19)-2H 817.5101 8.761 CL(87:9)-2H 827.5884 12.301 Cer(d18:1_14:0)+CH3COO 568.4946 11.437 Cer(d32:1)-H 508.4735 11.441 Cer(d17:1_16:0)-H 522.4892 12.352 Cer(d17:1_16:0)+CH3COO_1 582.5103 12.362 Cer(d17:1_16:0)+CH3COO_2 582.5103 13.447 Cer(d18:0_16:0)+CH3COO_1 598.5416 14.263 Cer(d18:0_16:0)+CH3COO_2 598.5416 14.736 Cer(d18:0_16:0)-H 538.5205 14.712 Cer(d18:1_16:0)-H 536.5048 13.441 Cer(d18:1_16:0)+CH3COO 596.5259 13.448 Cer(d18:2_16:0)+CH3COO 594.5103 11.764 Cer(d18:1_17:0)+CH3COO 610.5416 14.669 Cer(d18:1_18:0)-H 564.5361 16.035 Cer(d18:1_18:0)+CH3COO 624.5572 16.04 Cer(d18:1_20:0)-H 592.5674 19.166 Cer(d18:1_20:0)+CH3COO 652.5885 19.159 Cer(d17:1_22:0)+CH3COO 666.6042 22.309 Cer(d18:1_22:0)-H 620.5987 22.315 Cer(d18:1_22:0)+CH3COO 680.6198 22.318 Cer(d18:1_22:1)+CH3COO 678.6042 19.11 Cer(d18:1_22:1)-H 618.5831 19.111 Cer(d18:2_22:0)-H 618.5831 19.976 Cer(d18:2_22:0)+CH3COO 678.6042 20.038 Cer(d18:1_23:0)+CH3COO 694.6355 22.802 Cer(d18:1_23:0)-H 634.6144 22.81 Cer(d17:1_24:0)+CH3COO 694.6355 23.138 Cer(d18:1_23:1)+CH3COO 692.6198 20.716 Cer(d18:1_23:1)-H 632.5987 20.714 Cer(d18:0_24:0)+CH3COO 710.6668 23.359 Cer(d18:1_24:0)-H 648.63 23.144 Cer(d18:1_24:0)+CH3COO 708.6511 23.141 Cer(d18:1_24:1)-H 646.6144 22.19 Cer(d18:1_24:1)+CH3COO_1 706.6355 22.19 Cer(d18:1_24:1)+CH3COO_2 706.6355 22.573 Cer(d18:2_24:1)+CH3COO_1 704.6198 19.734 Cer(d18:2_24:1)-H 644.5987 19.733 Cer(d18:2_24:1)+CH3COO_2 704.6198 20.274 Cer(d18:1_25:0)+CH3COO 722.6668 23.476 Cer(d18:1_25:1)+CH3COO 720.6511 22.708 Cer(d44:0)+CH3COO 738.6981 24.008 Cer(d20:1_24:0)+CH3COO 736.6824 23.82 Cer(d18:1_26:1)+CH3COO 734.6668 23.046 Cer(d18:1_26:2)+CH3COO 732.6511 22.463 Cer(m34:1)-H 520.5099 22.482 Cer(m35:1)-H 534.5256 22.924 Cer(m36:1)-H 548.5412 23.295 Cer(m39:1)-H 590.5882 24.464 Cer(m17:1_22:1)+CH3COO 648.5936 20.576 Cer(m39:2)-H 588.5725 20.552 Cer(m18:0_22:0)+CH3COO 666.6406 22.377 Cer(m44:1)-H 660.6664 26.646 Cer(t35:0)-H 568.531 6.104 Cer(t37:0)-H 596.5623 7.253 Cer(t38:0)-H_1 610.578 7.32 Cer(t38:0)-H_2 610.578 7.726 Cer(t39:0)-H_1 624.5936 7.306 Cer(t39:0)-H_2 624.5936 7.689 Cer(t18:0_21:1)-H 622.578 6.38 Cer(t40:0)-H 638.6093 7.827 Cer(t41:0)-H 652.6249 7.684 Cer(t17:0_24:0)+CH3COO 712.6461 22.511 Cer(t17:0_24:1)+CH3COO 710.6304 19.512 Cer(t18:0_24:0)+CH3COO 726.6617 22.744 Cer(t18:1_26:0+O)+CH3COO 768.6723 22.374 CerG3GNAc1(d30:0)-2H 585.3442 5.543 CerG3GNAc1(d36:0)-2H_1 627.3912 2.596 CerG3GNAc1(d36:0)-2H_2 627.3912 3.347 CerG3GNAc1(d38:0)-2H_1 641.4068 2.694 CerG3GNAc1(d38:0)-2H_2 641.4068 3.107 CerP(d41:7)+CH3COO 762.5079 11.375 CerP(d47:1+O)+CH3COO 874.6906 22.475 CerP(d47:2+O)+CH3COO 872.675 19.457 DLCL(34:1)-H 901.5213 9.344 DLCL(36:3)-H 925.5213 7.248 FA(18:2)-H 279.233 5.339 GM1(d42:1)-2H 813.978 16.861 GM1(d42:2)-2H 812.9702 14.047 GM2(d34:1)-H 1354.7853 9.258 GM2(d42:1)-H 1466.9105 17.192 Hex1Cer(d15:0_18:1)+CH3COO 744.5631 11.736 Hex1Cer(d18:1_16:0)-H 698.5576 11.734 Hex1Cer(d34:2)+CH3COO 756.5631 15.391 Hex1Cer(d35:1)+CH3COO 772.5944 16.377 Hex1Cer(d35:2)+CH3COO 770.5788 13.975 Hex1Cer(d35:3)+CH3COO 768.5631 15.528 Hex1Cer(d15:0_20:4)+CH3COO 766.5475 14.581 Hex1Cer(d15:1_20:4)+CH3COO 764.5318 12.49 Hex1Cer(d18:1_18:0)+CH3COO 786.6101 13.923 Hex1Cer(d18:1_18:0)-H 726.5889 13.923 Hex1Cer(d38:1)+CH3COO 814.6414 15.981 Hex1Cer(d18:1_20:0)+CH3COO 814.6414 16.538 Hex1Cer(d17:1_22:0)+CH3COO_1 828.657 19.212 Hex1Cer(d17:1_22:0)+CH3COO_2 828.657 19.73 Hex1Cer(d18:1_22:0)-H 782.6515 19.737 Hex1Cer(d41:2)+CH3COO 854.6727 18.878 Hex1Cer(d18:0_24:0)+CH3COO 872.7196 22.483 Hex1Cer(d18:0_24:1)+CH3COO 870.704 19.467 Hex1Cer(d18:1_24:0)+CH3COO 870.704 22.485 Hex1Cer(d18:1_24:0)-H 810.6828 22.483 Hex1Cer(d18:1_24:1)-H 808.6672 19.475 Hex1Cer(d42:3)+CH3COO 866.6727 17 Hex1Cer(d18:1_25:0)+CH3COO 884.7196 22.838 Hex1Cer(d18:1_26:0)+CH3COO 898.7353 23.138 Hex1Cer(d18:1_26:1)+CH3COO 896.7196 22.34 Hex1Cer(m19:0_20:0)+CH3COO 814.6778 16.794 Hex1Cer(t34:0)+CH3COO_1 776.5893 13.006 Hex1Cer(t34:0)+CH3COO_2 776.5893 14.788 Hex1Cer(t35:2)-H_1 726.5526 14.056 Hex1Cer(t35:2)-H_2 726.5526 15.622 Hex1Cer(t36:0)+CH3COO 804.6206 15.336 Hex1Cer(t37:0)-H 758.6152 22.874 Hex1Cer(t37:2)-H_1 754.5839 18.342 Hex1Cer(t37:2)-H_2 754.5839 18.639 Hex1Cer(t37:2)-H_3 754.5839 20.197 Hex1Cer(t37:3)-H 752.5682 17.913 Hex1Cer(t37:4)-H 750.5526 14.037 Hex1Cer(t17:0_20:4)-H_1 750.5526 15.177 Hex1Cer(t17:0_20:4)-H_2 750.5526 15.932 Hex1Cer(t17:1_20:4)-H 748.5369 13.586 Hex1Cer(t38:1)+CH3COO 830.6363 15.563 Hex1Cer(t16:0_22:5)-H 762.5526 14.796 Hex1Cer(t17:1_22:0)+CH3COO 844.6519 19.462 Hex1Cer(t39:1)-H 784.6308 22.877 Hex1Cer(t39:4)-H 778.5839 17.012 Hex1Cer(t17:0_22:5)-H 776.5682 16.13 Hex1Cer(t20:0_20:4)+CH3COO 852.6206 13.493 Hex1Cer(t41:1)-H 812.6621 23.486 Hex1Cer(t41:2)-H 810.6465 22.882 Hex1Cer(t41:3)-H 808.6308 22.375 Hex2Cer(d34:3)+CH3COO 916.6003 14.385 Hex3Cer(m40:1)+CH3COO 1150.7834 7.624 LPC(16:0)+CH3COO_1 554.3463 2.522 LPC(16:0)+CH3COO_2 554.3463 4.902 LPC(18:0)+CH3COO 582.3776 6.377 LPC(18:1)+CH3COO_1 580.362 2.547 LPC(18:1)+CH3COO_2 580.362 5.097 LPC(18:1e)+CH3COO 566.3827 5.771 LPE(16:1e)-H 436.2834 2.545 LPE(18:0)-H_1 480.3096 2.561 LPE(18:0)-H_2 480.3096 6.59 LPE(18:1)-H_1 478.2939 2.543 LPE(18:1)-H_2 478.2939 5.204 LPE(18:1)-H_3 478.2939 5.385 LPE(18:1e)-H 464.3147 2.572 LPE(18:2e)-H_1 462.299 2.579 LPE(18:2e)-H_2 462.299 5.844 LPG(18:1)-H_1 509.2885 2.524 LPG(18:1)-H_2 509.2885 4.351 LPI(18:1)-H_1 597.3045 4.651 LPI(18:1)-H_2 597.3045 4.831 MGDG(31:1)+CH3COO_1 773.5421 8.234 MGDG(31:1)+CH3COO_2 773.5421 8.629 MGDG(31:1)+CH3COO_3 773.5421 9.032 MGDG(31:1)+CH3COO_4 773.5421 10.479 MGDG(31:1)+CH3COO_5 773.5421 11.709 MGDG(33:5)+CH3COO 793.5108 9.164 MGDG(33:6)+CH3COO 791.4951 8.473 MGDG(35:5)+CH3COO 821.5421 9.623 MGDG(35:6)+CH3COO_1 819.5264 7.957 MGDG(35:6)+CH3COO_2 819.5264 9.342 MGDG(37:3)-H 793.5835 13.392 MGDG(37:4)-H 791.5679 11.718 MGDG(37:6)-H 787.5366 11.723 MGDG(37:7)+CH3COO 845.5421 9.553 MGDG(38:3)-H 807.5992 16.041 MGDG(39:4)-H 819.5992 13.678 MGDG(18:1_22:3)-H 833.6148 16.318 MGDG(40:5)-H 831.5992 13.988 MGDG(40:8)-H 825.5522 14.315 MGDG(41:5)-H_1 845.6148 11.762 MGDG(41:5)-H_2 845.6148 13.985 MGDG(42:10)+CH3COO 909.5734 16.729 MGDG(42:11)+CH3COO 907.5577 14.331 MGDG(43:10)-H_1 863.5679 9.528 MGDG(43:10)-H_2 863.5679 13.038 MGDG(43:11)-H_1 861.5522 2.591 MGDG(43:11)-H_2 861.5522 8.048 MGDG(43:11)-H_3 861.5522 8.517 MGDG(43:11)-H_4 861.5522 8.712 MGDG(43:11)-H_5 861.5522 11.316 MGDG(43:11)-H_6 861.5522 12.253 MGDG(43:9)-H 865.5835 14.973 MGDG(45:12)-H_1 887.5679 9.048 MGDG(45:12)-H_2 887.5679 12.225 MGDG(45:12)-H_3 887.5679 12.842 MLCL(52:2)-2H 582.3797 6.377 MLCL(52:6)-2H 578.3484 13.419 MLCL(58:3)-2H_1 623.4188 8.94 MLCL(58:3)-2H_2 623.4188 9.258 OAHFA(34:2)-H_1 533.4575 5.533 OAHFA(34:2)-H_2 533.4575 6.131 OAHFA(36:1)-H 563.5045 6.436 OAHFA(37:1)-H 577.5201 9.105 OAHFA(37:2)-H 575.5045 7.06 OAHFA(38:2)-H 589.5201 7.722 OAHFA(38:4)-H 585.4888 6.376 OAHFA(41:3)-H 629.5514 7.922 OAHFA(42:2)-H 645.5827 8.953 OAHFA(44:2)-H 673.614 9.687 OAHFA(46:2)-H 701.6453 10.555 PA(18:0e_16:0)-H 661.5178 16.827 PA(24:0_24:0)-H 871.7161 22.469 PA(30:0_18:1)-H 869.7005 19.462 PC(14:0_14:0)+CH3COO_1 736.5134 7.889 PC(14:0_14:0)+CH3COO_2 736.5134 8.046 PC(14:0_14:0)+CH3COO_3 736.5134 9.812 PC(16:0_13:0)+CH3COO 750.5291 11.402 PC(16:0_14:0)+CH3COO_1 764.5447 9.218 PC(16:0_14:0)+CH3COO_2 764.5447 11.398 PC(16:1_14:0)+CH3COO_1 762.5291 8.383 PC(16:1_14:0)+CH3COO_2 762.5291 10.027 PC(16:0_14:2)+CH3COO 760.5134 2.715 PC(15:0_16:0)+CH3COO_1 778.5604 12.359 PC(15:0_16:0)+CH3COO_2 778.5604 13.426 PC(15:0_16:1)+CH3COO 776.5447 10.48 PC(16:0_16:0)+CH3COO 792.576 13.425 PC(16:0e_16:0)+CH3COO 778.5967 15.11 PC(16:0_16:1)+CH3COO_1 790.5604 10.496 PC(16:0_16:1)+CH3COO_2 790.5604 11.719 PC(16:0e_16:1)+CH3COO 776.5811 11.576 PC(16:1e_16:0)+CH3COO 776.5811 12.997 PC(16:1_16:1)+CH3COO 788.5447 10.363 PC(18:0_14:2)+CH3COO 788.5447 13.429 PC(18:1_14:2)+CH3COO 786.5291 11.709 PC(16:0_17:0)+CH3COO_1 806.5917 14.08 PC(16:0_17:0)+CH3COO_2 806.5917 14.684 PC(16:0_17:0)+CH3COO_3 806.5917 16.031 PC(17:1_16:0)+CH3COO_1 804.576 11.595 PC(15:0_18:1)+CH3COO_1 804.576 11.749 PC(17:1_16:0)+CH3COO_2 804.576 12.617 PC(15:0_18:1)+CH3COO_2 804.576 13.674 PC(18:0_16:0)+CH3COO 820.6073 16.037 PC(34:0e)+CH3COO 806.628 16.943 PC(18:0e_16:0)+CH3COO 806.628 18.117 PC(16:0_18:1)+CH3COO_1 818.5917 11.733 PC(16:0_18:1)+CH3COO_2 818.5917 12.157 PC(16:0_18:1)+CH3COO_3 818.5917 12.647 PC(16:0_18:1)+CH3COO_4 818.5917 13.68 PC(16:0_18:1)+CH3COO_5 818.5917 16.913 PC(18:1e_16:0)+CH3COO 804.6124 15.349 PC(16:1_18:1)+CH3COO_1 816.576 10.008 PC(16:1_18:1)+CH3COO_2 816.576 10.389 PC(16:1_18:1)+CH3COO_3 816.576 10.949 PC(16:1_18:1)+CH3COO_4 816.576 11.869 PC(16:1_18:1)+CH3COO_5 816.576 16.888 PC(16:1e_18:1)+CH3COO_1 802.5967 12.236 PC(16:1e_18:1)+CH3COO_2 802.5967 13.235 PC(16:2e_18:0)+CH3COO 802.5967 14.022 PC(16:1e_18:1)+CH3COO 802.5967 15.024 PC(16:1_18:2)+CH3COO 814.5604 10.741 PC(18:0_17:0)+CH3COO 834.623 16.864 PC(17:0_18:1)+CH3COO_1 832.6073 14.103 PC(17:0_18:1)+CH3COO_2 832.6073 14.976 PC(17:0_18:1)+CH3COO_3 832.6073 16.352 PC(17:0_18:1)+CH3COO_4 830.5917 12.838 PC(17:0_18:1)+CH3COO_5 830.5917 13.996 PC(18:0_18:0)+CH3COO 848.6386 19.138 PC(18:0_18:1)+CH3COO 846.623 17.941 PC(18:0e_18:1)+CH3COO_1 832.6437 16.964 PC(18:0e_18:1)+CH3COO_2 832.6437 18.472 PC(18:1_18:1)+CH3COO 844.6073 13.985 PC(18:1_18:2)+CH3COO_1 842.5917 11.722 PC(18:1_18:2)+CH3COO_2 842.5917 12.416 PC(16:1_20:5)+CH3COO 836.5447 11.111 PC(19:0_18:1)+CH3COO 860.6386 16.941 PC(19:1_18:1)+CH3COO 858.623 15.075 PC(18:0_20:1)+CH3COO 874.6543 19.099 PC(20:0_18:1)+CH3COO 874.6543 20.178 PC(20:1_18:1)+CH3COO 872.6386 16.379 PC(18:1_20:2)+CH3COO 870.623 14.479 PC(18:0e_20:3)+CH3COO 856.6437 16.984 PC(18:0_20:4)+CH3COO 868.6073 14.186 PC(18:1_20:4)+CH3COO 866.5917 12.156 PC(16:0_22:6)+CH3COO 864.576 11.655 PC(18:1_20:5)+CH3COO 864.576 13.037 PC(16:1_22:6)+CH3COO 862.5604 11.311 PC(16:0_24:0)+CH3COO 904.7012 23.62 PC(16:0_24:1)+CH3COO_1 902.6856 22.275 PC(16:0_24:1)+CH3COO_2 902.6856 22.485 PC(18:1_22:1)+CH3COO 900.6699 19.433 PC(18:1_22:2)+CH3COO 898.6543 16.952 PC(18:0_22:5)+CH3COO 894.623 14.427 PC(18:1_22:5)+CH3COO 892.6073 12.359 PC(18:0_22:6)+CH3COO 892.6073 13.743 PC(40:7)+CH3COO_1 890.5917 9.993 PC(18:1_22:6)+CH3COO 890.5917 11.737 PC(40:7)+CH3COO_2 890.5917 13.68 PC(40:8)+CH3COO 888.576 12.847 PC(40:9)+CH3COO_1 886.5604 7.891 PC(40:9)+CH3COO_2 886.5604 8.163 PC(40:9)+CH3COO_3 886.5604 8.811 PC(18:1_24:0)+CH3COO 930.7169 23.674 PC(42:10)+CH3COO 912.576 11.725 PC(18:1_24:1)+CH3COO 928.7012 22.399 PC(30:1_22:0)+CH3COO 1070.8734 10.532 PE(10:0_11:4)-H 528.2732 2.54 PE(16:0_14:0)-H 662.4766 11.699 PE(16:1e_14:0)-H 646.4817 12.786 PE(16:1e_15:0)-H 660.4974 13.972 PE(16:0_16:0)-H 690.5079 13.766 PE(16:0_16:1)-H 688.4923 11.943 PE(16:1e_16:0)-H 674.513 14.009 PE(16:1_16:1)-H 686.4766 10.483 PE(16:1e_16:1)-H_1 672.4974 12.205 PE(16:1e_16:1)-H_2 672.4974 13.081 PE(16:1e_16:1)-H_3 672.4974 13.988 PE(17:1_16:0)-H 702.5079 12.957 PE(18:1e_15:0)-H 688.5287 16.565 PE(16:1e_17:1)-H 686.513 14.12 PE(18:0_16:0)-H 718.5392 13.425 PE(18:0e_16:0)-H 704.56 18.455 PE(16:0_18:1)-H_1 716.5236 12.341 PE(16:0_18:1)-H_2 716.5236 14.037 PE(18:1e_16:0)-H_1 702.5443 15.738 PE(18:1e_16:0)-H_2 702.5443 16.902 PE(18:1e_16:0)-H_3 702.5443 18.048 PE(16:1_18:1)-H_1 714.5079 10.689 PE(16:1_18:1)-H_2 714.5079 10.979 PE(16:1_18:1)-H_3 714.5079 12.177 PE(16:1_18:1)-H_4 714.5079 13.216 PE(16:1_18:1)-H_5 714.5079 24.713 PE(16:1e_18:1)-H_1 700.5287 14.046 PE(16:1e_18:1)-H_2 700.5287 15.416 PE(18:1e_16:1)-H 700.5287 16.853 PE(16:1_18:2)-H 712.4923 24.002 PE(18:2e_16:1)-H_1 698.513 11.733 PE(18:2e_16:1)-H_2 698.513 12.133 PE(18:2e_16:1)-H_3 698.513 13.287 PE(16:1e_18:2)-H 698.513 13.717 PE(16:1e_18:3)-H 696.4974 12.762 PE(17:0_18:1)-H_1 730.5392 14.041 PE(17:0_18:1)-H_2 730.5392 14.789 PE(17:1_18:1)-H 728.5236 13.167 PE(16:1e_19:1)-H 714.5443 16.874 PE(16:0e_20:0)-H 732.5913 21.875 PE(18:0_18:1)-H_1 744.5549 16.81 PE(18:0_18:1)-H_2 744.5549 17.474 PE(18:0e_18:1)-H 730.5756 18.852 PE(16:1e_20:0)-H_1 730.5756 20.358 PE(16:1e_20:0)-H_2 730.5756 21.427 PE(18:1_18:1)-H_1 742.5392 12.227 PE(18:1_18:1)-H_2 742.5392 12.531 PE(18:1_18:1)-H_3 742.5392 13.204 PE(18:1_18:1)-H_4 742.5392 14.203 PE(18:1e_18:1)-H_1 728.56 15.983 PE(18:1e_18:1)-H_2 728.56 16.938 PE(18:1e_18:1)-H_3 728.56 18.367 PE(18:1_18:2)-H_1 740.5236 11.398 PE(18:1_18:2)-H_2 740.5236 11.771 PE(18:1_18:2)-H_3 740.5236 12.709 PE(16:0_20:3)-H 740.5236 13.798 PE(18:2e_18:1)-H_1 726.5443 14.05 PE(18:2e_18:1)-H_2 726.5443 15.62 PE(16:1e_20:2)-H_1 726.5443 16.17 PE(16:1e_20:2)-H_2 726.5443 16.835 PE(16:0_20:4)-H_1 738.5079 11.049 PE(16:0_20:4)-H_2 738.5079 12.282 PE(16:1e_20:3)-H_1 724.5287 14.076 PE(16:1e_20:3)-H_2 724.5287 15.041 PE(16:0_20:5)-H 736.4923 11.186 PE(16:1e_20:4)-H_1 722.513 11.467 PE(16:1e_20:4)-H_2 722.513 11.766 PE(16:1e_20:4)-H_3 722.513 13.388 PE(16:1e_20:5)-H 720.4974 12.134 PE(18:1e_19:1)-H 742.5756 20.233 PE(18:0e_20:0)-H 760.6226 22.957 PE(18:0_20:2)-H 770.5705 17.554 PE(18:0_20:3)-H 768.5549 15.554 PE(18:1_20:4)-H 764.5236 11.723 PE(18:2e_20:5)-H 746.513 12.249 PE(16:1e_22:6)-H 746.513 12.94 PE(17:0_22:3)-H 782.5705 20.251 PE(18:0_22:1)-H 800.6175 22.466 PE(18:0e_22:1)-H 786.6382 22.952 PE(18:1_22:1)-H 798.6018 20.241 PE(18:1e_22:1)-H 784.6226 22.877 PE(18:0_22:3)-H 796.5862 18.497 PE(18:1_22:3)-H 794.5705 15.817 PE(18:0_22:4)-H 794.5705 16.408 PE(18:1e_22:3)-H 780.5913 20.223 PE(18:0_22:5)-H 792.5549 14.79 PE(18:2e_22:3)-H 778.5756 16.918 PE(18:1_22:5)-H 790.5392 12.674 PE(18:0_22:6)-H_1 790.5392 13.085 PE(18:0_22:6)-H_2 790.5392 14.098 PE(18:1e_22:5)-H_1 776.56 13.361 PE(18:1e_22:5)-H_2 776.56 15.234 PE(18:1_22:6)-H 788.5236 12.141 PE(18:1e_22:6)-H 774.5443 15.392 PE(18:2e_22:6)-H_1 772.5287 12.172 PE(18:2e_22:6)-H_2 772.5287 13.104 PE(18:1_24:0)-H 828.6488 23.245 PE(18:1_24:1)-H 826.6331 22.439 PE(18:1e_24:1)-H 812.6539 23.492 PE(18:1e_24:2)-H 810.6382 22.879 PE(18:2e_24:2)-H 808.6226 21.984 PG(16:0_16:0)-H_1 721.5025 10.054 PG(16:0_16:0)-H_2 721.5025 11.25 PG(18:1_14:0)-H 719.4869 9.137 PG(16:1_16:1)-H 717.4712 8.462 PG(17:1_16:0)-H 733.5025 9.651 PG(17:1_16:1)-H 731.4869 8.882 PG(16:0_18:1)-H_1 747.5182 8.432 PG(16:0_18:1)-H_2 747.5182 8.487 PG(16:0_18:1)-H_3 747.5182 10.263 PG(16:0_18:1)-H_4 747.5182 11.415 PG(16:1_18:1)-H_1 745.5025 2.691 PG(16:1_18:1)-H_2 745.5025 6.908 PG(16:1_18:1)-H_3 745.5025 7.783 PG(16:1_18:1)-H_4 745.5025 7.948 PG(16:1_18:1)-H_5 745.5025 9.312 PG(16:1_18:2)-H 743.4869 8.739 PG(17:1_18:1)-H_1 759.5182 8.014 PG(17:1_18:1)-H_2 759.5182 8.26 PG(18:0_18:0)-H 777.5651 13.55 PG(36:0)-H_1 777.5651 14.038 PG(36:0)-H_2 777.5651 15.278 PG(36:0)-H_3 777.5651 15.477 PG(18:0_18:1)-H_1 775.5495 9.524 PG(18:0_18:1)-H_2 775.5495 10.468 PG(18:0_18:1)-H_3 775.5495 11.794 PG(18:0_18:1)-H_4 775.5495 13.375 PG(18:0_18:1)-H_5 775.5495 15.414 PG(18:1_18:1)-H_1 773.5338 8.328 PG(18:1_18:1)-H_2 773.5338 8.584 PG(18:1_18:1)-H_3 773.5338 10.488 PG(18:1_18:2)-H_1 771.5182 7.836 PG(18:1_18:2)-H_2 771.5182 8.074 PG(18:1_18:2)-H_3 771.5182 9.648 PG(18:1_18:3)-H 769.5025 9.016 PG(19:1_18:1)-H 787.5495 11.189 PG(17:1_20:2)-H 785.5338 10.213 PG(18:0_20:1)-H_1 803.5808 13.692 PG(18:0_20:1)-H_2 803.5808 14.025 PG(20:1_18:1)-H 801.5651 12.071 PG(18:1_20:2)-H_1 799.5495 8.869 PG(18:1_20:2)-H_2 799.5495 9.041 PG(18:1_20:2)-H_3 799.5495 10.799 PG(18:1_20:3)-H 797.5338 10.035 PG(18:1_20:4)-H 795.5182 9.502 PG(16:1_22:6)-H 791.4869 8.47 PG(39:1)-H 817.5964 22.809 PG(20:1_20:2)-H 827.5808 12.402 PG(18:1_22:3)-H 825.5651 11.422 PG(18:1_22:4)-H 823.5495 10.31 PG(18:1_22:5)-H 821.5338 9.632 PG(18:1_22:6)-H_1 819.5182 7.814 PG(18:1_22:6)-H_2 819.5182 7.985 PG(18:1_22:6)-H_3 819.5182 9.342 PG(18:2_22:6)-H 817.5025 8.762 PI(16:0_16:0)-H 809.5186 10.904 PI(18:0_16:0)-H 837.5499 12.684 PI(16:0_18:1)-H 835.5342 11.123 PI(18:0_16:1)-H_1 835.5342 11.71 PI(18:0_16:1)-H_2 835.5342 11.72 PI(16:0e_18:1)-H 821.5549 12.121 PI(16:1_18:1)-H_1 833.5186 7.871 PI(16:1_18:1)-H_2 833.5186 9.946 PI(17:0_18:1)-H 849.5499 12.086 PI(17:1_18:1)-H 847.5342 10.613 PI(20:0_16:0)-H_1 865.5812 11.646 PI(20:0_16:0)-H_2 865.5812 14.981 PI(18:0_18:1)-H 863.5655 13.655 PI(18:0e_18:1)-H 849.5862 14.362 PI(18:1_18:1)-H_1 861.5499 8.095 PI(18:1_18:1)-H_2 861.5499 11.316 PI(18:1e_18:1)-H 847.5706 12.267 PI(16:0_20:4)-H 857.5186 9.986 PI(18:4_18:0)-H 857.5186 11.595 PI(19:1_18:0)-H 877.5812 14.069 PI(17:0_20:3)-H 873.5499 11.907 PI(17:0_20:4)-H 871.5342 10.745 PI(20:0_18:1)-H 891.5968 11.735 PI(18:0_20:1)-H 891.5968 15.084 PI(18:0_20:2)-H_1 889.5812 9.009 PI(18:0_20:2)-H_2 889.5812 9.677 PI(18:0_20:2)-H_3 889.5812 13.492 PI(18:0_20:3)-H_1 887.5655 8.737 PI(18:0_20:3)-H_2 887.5655 9.068 PI(18:0_20:3)-H_3 887.5655 9.382 PI(18:1_20:2)-H 887.5655 11.623 PI(18:0_20:3)-H_4 887.5655 12.225 PI(18:0_20:3)-H 887.5655 12.844 PI(18:0e_20:3)-H 873.5862 14.069 PI(18:0_20:4)-H_1 885.5499 2.613 PI(18:1_20:3)-H_1 885.5499 8.156 PI(18:0_20:4)-H_2 885.5499 8.704 PI(18:1_20:3)-H_2 885.5499 10.148 PI(18:1_20:3)-H_3 885.5499 11.178 PI(18:0_20:4)-H_3 885.5499 11.599 PI(18:1_20:4)-H_1 883.5342 7.965 PI(18:1_20:4)-H_2 883.5342 10.134 PI(18:1e_20:4)-H 869.5549 10.955 PI(18:1_20:5)-H 881.5186 9.427 PI(39:3)-H 901.5812 13.328 PI(18:0_22:3)-H 915.5968 14.402 PI(18:0_22:5)-H 911.5655 11.718 PI(18:1_22:5)-H 909.5499 10.276 PI(18:0_22:6)-H 909.5499 11.261 PI(18:1_22:6)-H 907.5342 9.928 PIP(16:0e_16:0)-H 875.5056 15.435 PS(16:0_16:1)-H_1 732.4821 7.909 PS(16:0_16:1)-H_2 732.4821 10.093 PS(16:0_18:1)-H_1 760.5134 2.715 PS(16:0_18:1)-H_2 760.5134 8.483 PS(16:0_18:1)-H_3 760.5134 14.041 PS(18:0_18:1)-H_1 788.5447 9.048 PS(18:0_18:1)-H_2 788.5447 10 PS(18:0_18:1)-H_3 788.5447 10.309 PS(18:0_18:1)-H_4 788.5447 13.474 PS(18:0_18:1)-H_5 788.5447 14.01 PS(18:1_18:1)-H_1 786.5291 7.185 PS(18:1_18:1)-H_2 786.5291 7.765 PS(18:1_18:1)-H_3 786.5291 8.492 PS(18:1_18:1)-H_4 786.5291 8.967 PS(18:1_18:1)-H_5 786.5291 11.725 PS(36:3)-H 784.5134 15.432 PS(36:4)-H 782.4978 11.549 PS(19:1_18:0)-H 802.5604 14.02 PS(16:1_22:0)-H 816.576 10 PS(18:0_20:1)-H_1 816.576 16.173 PS(18:0_20:1)-H_2 816.576 16.888 PS(18:0_20:2)-H 814.5604 14.062 PS(18:0_20:3)-H 812.5447 12.753 PS(38:3)-H 812.5447 18.155 PS(18:0_20:4)-H 810.5291 11.866 PS(38:4e)-H 796.5498 18.383 PS(16:0_22:6)-H 806.4978 10.004 PS(18:0_22:5)-H 836.5447 9.273 PS(40:5)-H 836.5447 11.116 PS(18:0_22:6)-H_1 834.5291 8.437 PS(18:0_22:6)-H_2 834.5291 11.702 PS(42:7)-H 860.5447 11.01 PS(42:8)-H 858.5291 12.189 SM(d32:1)+CH3COO 733.5501 9.726 SM(d38:1)+CH3COO 817.644 15.866 SM(d39:1)+CH3COO_1 831.6597 17.517 SM(d39:1)+CH3COO_2 831.6597 18.987 SM(d41:1)+CH3COO_1 859.691 20.323 SM(d41:1)+CH3COO_2 859.691 20.824 SM(d41:2)+CH3COO 857.6753 17.146 SM(d42:0)+CH3COO 875.7223 22.299 SM(d42:1)+CH3COO_1 873.7066 18.712 SM(d42:1)+CH3COO_2 873.7066 22.296 SM(d42:2)+CH3COO_1 871.691 15.969 SM(d42:2)+CH3COO_2 871.691 16.931 SM(d42:2)+CH3COO_3 871.691 18.714 SM(d42:2)+CH3COO_4 871.691 20.235 SM(d43:2)+CH3COO 885.7066 20.339 SM(d44:2)+CH3COO 899.7223 22.048 SM(t33:1)+CH3COO 763.5607 11.195 SM(t39:0)+CH3COO 849.6702 22.461 SM(t39:1)+CH3COO 847.6546 18.713 SM(t41:2)+CH3COO 873.6702 18.896 WE(25:0)-H 381.3738 9.752 WE(29:0)-H_1 437.4364 12.324 WE(29:0)-H_2 437.4364 12.467 WE(29:0)-H_3 437.4364 13.632 WE(29:0)-H_4 437.4364 15.409 WE(30:0)-H 451.4521 14.041 WE(31:0)-H 465.4677 13.979 WE(33:0)-H 493.499 16.898 WE(36:0)-H 535.546 20.336 WE(38:0)-H 563.5773 22.866 WE(40:0)-H 591.6086 22.87 WE(42:0)-H 619.6399 23.686 dMePE(16:0_14:0)-H_1 690.5079 11.381 dMePE(16:0_14:0)-H_2 690.5079 13.767 dMePE(18:0_16:0)-H 746.5705 19.362 dMePE(16:0_18:1)-H 744.5549 14.183 dMePE(18:0_18:1)-H 772.5862 16.394 dMePE(18:1_18:1)-H 770.5705 14.014 phSM(t36:1)+CH3COO 821.6026 13.682 METABOLITES_END #END