#METABOLOMICS WORKBENCH SatoH_20240731_010033 DATATRACK_ID:5061 STUDY_ID:ST003394 ANALYSIS_ID:AN005568 PROJECT_ID:PR002102 VERSION 1 CREATED_ON August 8, 2024, 10:10 am #PROJECT PR:PROJECT_TITLE Group X Phospholipase A2 Links Colonic Lipid Homeostasis to Systemic Metabolism PR:PROJECT_TITLE via Host-Microbiota Interaction PR:PROJECT_SUMMARY The gut microbiota influences physiological functions of the host, ranging from PR:PROJECT_SUMMARY the maintenance of local gut homeostasis to systemic immunity and metabolism. PR:PROJECT_SUMMARY Secreted phospholipase A2 group X (sPLA2-X) is abundantly expressed in colonic PR:PROJECT_SUMMARY epithelial cells but is barely detectable in metabolic and immune tissues. PR:PROJECT_SUMMARY Despite this distribution, sPLA2-X-deficient (Pla2g10-/-) mice displayed PR:PROJECT_SUMMARY variable obesity-related phenotypes that were abrogated after treatment with PR:PROJECT_SUMMARY antibiotics or cohousing with Pla2g10+/+ mice, suggesting the involvement of gut PR:PROJECT_SUMMARY microbiota. Under housing conditions where Pla2g10-/- mice showed aggravation of PR:PROJECT_SUMMARY diet-induced obesity and insulin resistance, they displayed increased colonic PR:PROJECT_SUMMARY inflammation and epithelial damage, reduced production of polyunsaturated fatty PR:PROJECT_SUMMARY acids (PUFAs) and lysophospholipids, decreased abundance of several Clostridium PR:PROJECT_SUMMARY species, and reduced levels of short-chain fatty acids (SCFAs). These PR:PROJECT_SUMMARY obesity-related phenotypes in Pla2g10-/- mice were reversed by dietary PR:PROJECT_SUMMARY supplementation with omega-3 PUFAs or SCFAs. Thus, colonic sPLA2-X orchestrates PR:PROJECT_SUMMARY omega-3 PUFA-SCFA interplay via modulation of gut microbiota, thereby PR:PROJECT_SUMMARY secondarily affecting systemic metabolism. PR:INSTITUTE University of Tokyo PR:LAST_NAME Sato PR:FIRST_NAME Hiroyasu PR:ADDRESS Tokyo 113-8655, Japan. PR:EMAIL sato-hr@m.u-tokyoac.jp PR:PHONE 81-3-5841-1433 #STUDY ST:STUDY_TITLE Fatty acid oxygenated metabolites analysis of colon in Pla2g10 knockout mice. ST:STUDY_SUMMARY We analyzed fatty acid oxygenated metabolites in the colons of WT and Pla2g10 ST:STUDY_SUMMARY knockout mice that were fed either low-fat diet (LFD) or high-fat diet (HFD). ST:INSTITUTE University of Tokyo ST:LAST_NAME Sato ST:FIRST_NAME Hiroyasu ST:ADDRESS 7-3-1 Hongo, Bunkyo-ku Tokyo 113-8655, Japan. ST:EMAIL sato-hr@m.u-tokyo.ac.jp ST:PHONE 81-3-5841-1433 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female #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 OxFA_L_WT_1 L_1 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_1.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_2 L_2 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_2.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_3 L_3 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_3.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_15 L_15 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_15.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_16 L_16 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_16.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_17 L_17 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_17.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_18 L_18 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_18.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_WT_19 L_19 Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_WT_19.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_4 L_4 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_4.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_5 L_5 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_5.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_6 L_6 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_6.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_25 L_25 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_25.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_26 L_26 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_26.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_27 L_27 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_27.mzML SUBJECT_SAMPLE_FACTORS OxFA_L_KO_28 L_28 Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_L_KO_28.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_7 H_7 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_7.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_8 H_8 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_8.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_9 H_9 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_9.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_10 H_10 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_10.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_20 H_20 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_WT_20.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_21 H_21 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_WT_21.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_22 H_22 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_WT_22.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_WT_23 H_23 Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_WT_23.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_11 H_11 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_11.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_12 H_12 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_12.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_13 H_13 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_13.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_14 H_14 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_14.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_29 H_29 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_29.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_30 H_30 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_30.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_31 H_31 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_31.mzML SUBJECT_SAMPLE_FACTORS OxFA_H_KO_32 H_32 Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon RAW_FILE_NAME(Raw file name)=OxFA_H_KO_32.mzML #COLLECTION CO:COLLECTION_SUMMARY All mice groups underwent anesthesia with isoflurane. The mouse colons were CO:COLLECTION_SUMMARY excised and rinsed in ice-cold PBS. Colon was collected and was quickly frozen CO:COLLECTION_SUMMARY by using liquid nitrogen. Samples were preserved below -80 °C and were sent out CO:COLLECTION_SUMMARY for lipidomic analysis. CO:SAMPLE_TYPE Colon #TREATMENT TR:TREATMENT_SUMMARY Pla2g10+/+ and Pla2g10-/- mice fed a high fat diet (HFD) or low fat diet (LFD) TR:TREATMENT_SUMMARY for 24 weeks. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tissues were soaked in methanol and then homogenized with bead homogenizer. SP:SAMPLEPREP_SUMMARY After overnight incubation at −20°C, water was added to the mixture to give a SP:SAMPLEPREP_SUMMARY final methanol concentration of 10% (v/v). The samples in 10% methanol were SP:SAMPLEPREP_SUMMARY applied to Oasis HLB cartridges (Waters), washed with 10 mL of hexane, eluted SP:SAMPLEPREP_SUMMARY with 3 mL of methyl formate, dried under N2 gas, and dissolved in 60% methanol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 10 mM ammonium acetate CH:SOLVENT_B 80% acetonitrile/20% methanol; 10 mM ammonium acetate CH:FLOW_GRADIENT 0–2 min 90% B; 2–10 min 90-30% B; 10-24 min 30-27% B; 24-24.01 min 27-1% B; CH:FLOW_GRADIENT 24.01–27 min 1% B; 27–27.01 min 1-90% B; 27.01–32 min 90% B; 32-35 min CH:FLOW_GRADIENT 90-1% B; 35-39.97 min 1% B; 39.97-39.98 min 1-90% B; 39.98-42 min 90% B; 42-45 CH:FLOW_GRADIENT min 90% B CH:FLOW_RATE 0.3 ml/min CH:COLUMN_TEMPERATURE 40°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 4500 QTRAP MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area/mg of wet tissue MS_METABOLITE_DATA_START Samples L_1 L_2 L_3 L_15 L_16 L_17 L_18 L_19 L_4 L_5 L_6 L_25 L_26 L_27 L_28 H_7 H_8 H_9 H_10 H_20 H_21 H_22 H_23 H_11 H_12 H_13 H_14 H_29 H_30 H_31 H_32 Factors Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:Low fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10+/+ | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon Genotype:Pla2g10-/- | Treatment:High fat diet | Sample source:Colon AA 5-HETE 8-HETE 9-HETE 11-HETE 4541.451758 4387.976478 3114.187125 1354.189904 1795.984585 1035.934936 496.4931192 528.6290625 1531.191103 2994.622727 1038.2243 2610.023042 1493.824949 396.7597709 1929.918526 2541.354409 3759.858077 1931.48264 298.8571963 1275.627817 1984.778797 4221.236936 4467.541257 2978.546393 3248.193598 822.9488998 1249.303531 4612.723757 7961.301281 1692.989443 3135.760118 12-HETE 4347.819425 4716.612241 1381.808606 1799.441283 480.3856952 594.4031816 362.8106994 1389.353962 2021.132952 4175.577582 577.1921966 1928.065464 1008.724795 256.752066 1563.480105 2140.098076 5908.392948 1332.635215 2205.612759 1645.774192 2290.698834 1935.208315 2800.953591 1720.271045 2855.85722 2238.312358 1607.926442 1948.664916 5000.551294 1031.420033 3693.981725 15-HETE 828.7670829 821.056288 460.566817 200.6926525 228.8141309 96.46477069 38.19361372 60.47179755 237.7705394 392.4108721 66.78720107 136.4900992 123.8333251 62.27131033 195.3795986 260.7435882 653.9435276 303.8041792 284.7331924 407.1929252 401.4941268 432.7424559 266.0413374 180.3793677 321.6883276 228.4444979 155.2722294 664.4158331 941.4710412 242.0106108 524.6211761 16-HETE 17-HETE 18-HETE 19-HETE 20-HETE 5,6-EET 8,9-EET 11,12-EET 14,15-EET 5,6-DHET 8,9-DHET 11,12-DHET 828.7670829 821.056288 460.566817 12.55555952 34.35325983 72.35611135 610.4911381 105.8256457 237.7705394 392.4108721 66.78720107 409.1703195 9.526555951 77.84448718 81.52115486 260.7435882 653.9435276 303.8041792 284.7331924 832.3396054 1119.700018 134.227533 13.22987722 180.3793677 321.6883276 228.4444979 155.2722294 1047.00371 105.5501906 480.8755924 290.1654699 14,15-DHET 92.77000618 168.5765389 64.08558623 12.55555952 80.15760626 8.039567928 19.09203504 30.23589877 12.52732964 68.23237368 4.313132707 97.48805581 9.526555951 15.56928647 48.9106559 114.1391071 32.46483681 39.40416396 154.4358953 18.50940001 25.91435131 75.20009637 26.4531428 54.14983942 47.05748463 9.525270545 16.34466016 28.90839493 7.537684512 7.119925488 89.38832713 PGD2 2840.341175 1381.125945 2370.980159 476.2947377 286.0129094 686.3187622 305.9726325 679.8198891 1116.835095 528.8476332 611.8676414 1928.714067 551.9797044 182.8193523 1001.832285 3328.167859 2146.482818 1594.206178 4059.21011 2181.839518 522.3137327 3280.228552 3204.555222 5760.962674 3842.396771 1079.945426 1422.380503 9043.215481 6518.942879 1849.375026 2335.214195 LTC4 6-keto-PGF1a 2655.459798 3926.17135 1978.651002 1730.566319 1756.391374 1196.899708 644.2755794 1162.100723 1038.964482 1205.834823 1320.300625 3701.051847 3497.686096 933.2624617 2426.646325 3917.335191 2667.472197 2462.608168 2352.652187 3274.485767 2246.179299 3573.0691 4730.811949 1384.808574 1984.98227 1588.931076 2244.9053 11045.51852 13455.29184 3264.794367 5223.560868 15-d12,14-PGJ2 27.2889059 48.99020131 8.018909701 31.3888988 80.15760626 24.11870378 19.09680686 22.67692408 21.9173489 32.94146962 12.93939812 58.49575681 28.57966785 15.56928647 32.60846194 8.152793362 16.23106616 14.07341807 48.26272473 148.0752001 38.86990793 7.162169604 52.91950887 21.65993577 7.854453375 14.28790582 8.172330079 43.35175716 15.07913693 14.24341005 100.556284 LTB4 TxB2 3873.978736 1131.074971 1407.758717 263.4610382 446.0587789 566.2446359 238.7100857 634.2070721 647.6238502 1833.032347 794.7227474 2025.868039 723.0794399 299.4497852 1482.979747 1579.486513 1129.684555 944.4580031 1021.607724 1340.658406 737.9820115 1927.974559 3720.067708 1250.881205 1216.092081 663.6320948 791.6592351 3205.655948 6665.403917 1323.039248 1595.900356 PGE2 13483.51733 12854.73467 10073.44011 4958.626046 2653.673305 2290.251303 1607.373868 2371.35686 8575.431664 7249.095434 4166.646762 21435.86404 6733.153345 3514.902974 11612.90898 13322.16313 10728.52988 8095.421299 9490.915951 5139.416151 6304.693237 32707.98403 34629.95312 15001.76536 12197.04184 13555.53203 4306.528892 36892.47964 58449.68755 6524.915911 11709.05568 PGF2a 666.0059019 1035.590837 733.0653552 777.4412784 1242.228867 1084.267873 858.7209964 453.0582035 838.3197568 561.8147373 353.3321696 3116.279347 866.2922548 311.0069864 1197.047794 1498.406101 1195.045831 882.6412406 1475.135997 1692.415561 1798.847789 2711.458535 4262.343385 1255.116826 1431.744322 1389.360656 930.8443241 5674.259677 5972.290458 1892.506693 2901.639794 15-keto-PGE2 LXA4 EPA 5-HEPE 59.95162711 35.38181205 24.0567291 62.7777976 57.25543304 24.11870378 19.09680686 90.70769632 15.65524922 42.35331808 12.93939812 35.5383416 57.15933571 15.56928647 32.60846194 24.45838009 10.82341527 22.51746891 14.47399356 37.00954995 25.91758939 7.162169604 13.22987722 21.65993577 7.854453375 4.762635272 16.3426181 14.45419746 11.30935269 0 22.34708178 8-HEPE 9-HEPE 11-HEPE 12-HEPE 141.888673 358.9088184 88.19999181 50.22223808 22.90217322 48.23338979 19.09680686 90.70769632 93.95184204 197.5681876 47.44445977 19.4985856 66.68113076 7.784643237 24.45634646 8.152793362 16.23106616 5.629367229 9.652544945 18.50940001 12.95879469 7.162169604 26.45975443 21.65452349 11.77971743 4.762635272 16.3426181 0 7.539568463 7.121705024 11.17354089 15-HEPE 348.8522757 777.4985612 134.1803608 87.882642 45.79290107 8.03755904 0 90.69258592 184.6093306 488.8588191 38.81388338 58.4908846 57.15457481 7.782698048 130.2840178 8.150756182 5.411707636 5.62796059 19.30508989 18.50940001 0 3.580189978 13.22987722 21.65993577 15.70498149 14.28790582 24.51494818 14.45419746 7.539568463 7.121705024 11.17354089 18-HEPE 65.49337416 76.20561965 72.16617986 12.55555952 22.90217322 56.27697549 38.19361372 15.11417179 15.65681435 141.0982728 21.56566353 19.4985856 9.524175502 23.35198452 16.30015695 8.152793362 5.410355385 5.629367229 9.652544945 18.50477497 12.95879469 3.580189978 13.22987722 7.21997859 3.926245371 14.28790582 8.172330079 14.45419746 7.539568463 14.24163051 33.52062268 19-HEPE 20-HEPE 8,9-EpETE 11,12-EpETE 14,15-EpETE 17,18-EpETE 17,18-diHETE 725.0760803 660.7380269 432.51264 136.1798644 429.031976 257.0188024 216.0306143 256.9900292 328.4980978 1175.200926 461.0984423 263.2309057 180.9878999 186.7077836 513.192765 85.6043303 175.7045183 22.51746891 14.47881742 55.52820004 64.79397347 21.48561399 66.14938609 28.87991436 9.817085403 14.28790582 89.88950469 43.36259239 7.539568463 14.24341005 11.17354089 TxB3 PGD3 PGE3 d17-6-keto PGF1a PGF3a LXA5 DHA 4-HDoHE 65.49201039 16.3300671 56.13036418 37.66667856 57.25543304 16.07913586 57.28087694 45.35384816 3.131049843 105.8073687 21.56566353 37.01880002 25.91111323 0 26.45975443 24.45838009 27.05853818 5.629367229 19.30508989 38.99717121 28.57252651 23.34809414 48.91269291 24.45838009 27.05853818 5.629367229 19.30508989 7.21997859 11.78168006 4.762635272 8.172330079 7-HDoHE 8-HDoHE 10-HDoHE 11-HDoHE 13-HDoHE 62.6805177 54.34981307 48.11245634 50.2096888 22.90217322 32.15827171 38.19361372 30.23589877 18.79099446 28.23554539 12.93939812 55.52820004 25.91111323 5.371627203 79.36934585 16.30151236 27.05853818 22.51746891 106.1779944 77.99434242 28.57966785 46.70396904 32.60642493 16.30151236 27.05853818 22.51746891 106.1779944 14.43995718 35.34111492 9.525270545 32.68932032 14-HDoHE 207.3779559 331.752703 92.20343548 645.7885166 423.4711579 361.6106976 76.36814017 370.1269553 46.97435589 141.1624403 69.00473459 838.0174725 532.7020246 73.94827518 797.933752 65.21012382 10.82341527 39.39713077 9.650133015 74.03760005 401.4779862 64.45415749 224.6581455 65.21012382 10.82341527 39.39713077 9.650133015 43.35175716 297.054903 106.8166777 55.86770446 17-HDoHE 38.19764944 146.6922108 92.14776274 163.1971752 22.89645054 128.6250513 19.09203504 151.1417179 82.93443294 46.98684348 116.4491944 38.992299 66.67160896 7.782698048 24.45023543 57.05936764 78.46705622 5.62796059 57.90079809 18.50940001 38.86990793 17.90363436 13.2265714 7.218174497 11.78168006 4.761445208 8.172330079 86.71434955 7.537684512 14.24341005 78.20361829 16-HDoHE 577.7173312 519.3997361 300.3826915 213.4194133 74.43206296 56.26693106 19.09680686 60.46801995 215.9331206 368.5905424 21.56458579 175.4726538 114.3020083 7.784643237 122.2613622 24.45226855 54.10896285 5.62796059 19.30267796 74.02372494 38.86666985 7.162169604 26.45975443 7.21997859 31.41388824 9.525270545 32.68319413 14.45419746 52.77697924 7.121705024 22.34708178 20-HDoHE 207.3779559 331.752703 92.20343548 62.76838564 11.45108661 104.5023297 57.27610513 60.47179755 46.97435589 141.1624403 69.00473459 37.01417499 25.91111323 21.48471916 26.4531428 65.21012382 10.82341527 39.39713077 9.650133015 116.9866414 19.048351 38.91738062 65.20673883 65.21012382 10.82341527 39.39713077 9.650133015 28.87630617 11.77971743 19.04935103 8.172330079 21-HDoHE 79.13509958 233.8872861 88.14431906 219.716017 160.139042 80.39567928 381.9361372 22.67692408 4.697748615 98.22949251 198.3291267 37.01880002 116.6291523 23.27436674 284.4423602 56.94412594 200.1377552 22.51184236 188.0568303 77.984598 133.3717833 31.13857295 42.79809701 56.94412594 200.1377552 22.51184236 188.0568303 28.87630617 19.63613344 14.28790582 24.51699024 22-HDoHE 141.816981 92.44378187 54.12764048 25.11111904 11.44822527 16.07913586 19.09680686 15.11794939 45.40922225 70.5841599 25.87879624 18.50940001 25.91758939 3.581084802 13.22987722 16.30558672 10.82341527 16.88810169 9.652544945 19.4985856 19.0531119 23.35392971 32.60235091 16.30558672 10.82341527 16.88810169 9.652544945 7.21997859 47.12672025 4.762635272 32.68932032 16,17-EpDPE 19,20-EpDPE 19,20-diHDoPE 386.9714143 581.9863573 86.07191195 138.1017428 125.947646 96.46677958 95.46494703 120.9247071 204.8635309 390.0414656 206.8097805 18.50940001 25.91758939 68.03434747 26.45975443 105.9720534 178.4841842 22.51746891 9.652544945 194.9566228 114.2972474 15.56928647 171.0344102 105.9720534 178.4841842 22.51746891 9.652544945 100.9524146 15.70890675 26.19092381 49.02581223 11(12)-EET-d11 EPA-d5 12,13diHOME 2818.631132 2626.35365 1948.493977 932.9452867 1281.404633 433.7314909 1697.975187 1600.727396 1822.120214 6216.806369 2604.437474 3077.547974 571.1227607 521.0395816 2499.991672 496.8871026 318.9496089 174.4083054 289.5618768 296.1365251 543.6163312 339.7319246 528.9320983 194.8247371 137.3242458 171.4441592 106.2259966 389.9868387 444.4527061 113.81105 323.6526317 d4-12,13diHOME 9(S)-HODE 3844.115485 5377.422775 2102.127548 2181.610109 1446.241769 1878.989687 896.6161147 1267.960309 1414.184626 3210.625174 894.0340166 3544.226566 1570.056404 660.9411391 2288.571243 1807.768802 1619.392752 595.884308 38.46167909 665.7411302 2367.143981 1259.224642 1956.104149 870.7164455 1704.461387 720.7708836 991.8567859 1588.063666 1731.933827 1067.219872 1144.034424 13(S)-HODE 8134.221408 11125.01717 4722.074329 5982.534328 4735.31683 3344.192241 2221.976503 3133.029032 2424.694474 8818.374323 1805.209656 8442.946408 3368.581322 1088.472441 5635.277519 3192.28054 3302.700449 1130.046877 1754.783579 2329.413648 7008.877767 2557.613037 2338.890377 1738.071805 3777.660358 1054.28514 1289.751302 1641.268173 2869.132071 1444.29711 2182.23055 12(S)-HHTrE 2701.41317 1206.892632 1966.443643 533.3867439 709.0379622 445.6388404 372.0224329 271.8452321 1110.403443 1852.208613 691.5156481 2454.217552 847.2082337 179.0292877 916.1475746 1860.860903 1254.390079 896.2989039 1175.832445 841.221812 970.4202349 2629.32076 2411.325697 819.2434048 842.7089649 518.4863862 432.7073631 2685.478508 4616.439598 753.5817675 1650.828503 RvD1 10(S), 17(S)-diHDoHE 220.9466256 133.1906463 196.2562103 113.0000357 326.1626297 232.874014 190.9632968 423.0473334 134.566169 225.6589354 30.18869571 157.3093444 279.9737114 119.8996283 264.3940078 89.67461544 254.0775203 95.68939642 173.745809 350.9647965 333.133953 70.06178913 48.91269291 89.67461544 254.0775203 95.68939642 173.745809 21.65732987 66.94644518 114.293726 81.72330079 d4-PGE2 Palmitic acid Palmitoleic Acid Stearic acid Oleic acid Linoleic acid α-Linolenic acid DPA LTD4 LTE4 d4-PGD2 d5-LTC4 PD1 147.1744522 171.1212286 112.1363587 125.5430459 343.3192743 209.0187217 400.7152879 188.9743673 120.5211052 211.5294218 159.5001549 92.54700006 298.0296114 114.4773678 93.43647276 179.231952 48.70536872 95.60841732 366.4779992 721.1135837 38.1062238 155.6870292 191.5523068 179.231952 48.70536872 95.60841732 366.4779992 129.848538 90.3193446 118.9181491 16.34466016 LXB4 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z (Q1) quantified m/z (Q3) PubChem ID AA 303 259 444899 5-HETE 319 115 9862886 8-HETE 319.01 155 134689028 9-HETE 319.02 123 134689026 11-HETE 319.03 167 134689025 12-HETE 319.04 179 134689024 15-HETE 319.05 219 134689704 16-HETE 319.06 233 6442739 17-HETE 319.07 247 6442740 18-HETE 319.08 261 6442778 19-HETE 319.09 231 9548883 20-HETE 319.1 245 5283157 5,6-EET 319.11 191 5283202 8,9-EET 319.12 155 5283203 11,12-EET 319.13 167 5283204 14,15-EET 319.14 219 5283205 5,6-DHET 337 145 5283142 8,9-DHET 337.01 127 5283144 11,12-DHET 337.02 167 5283146 14,15-DHET 337.03 207 5283147 PGD2 351 271 448457 LTC4 626.3 272 5280493 6-keto-PGF1a 369 163 5280888 15-d12,14-PGJ2 315 271 5283035 LTB4 335 195 5280492 TxB2 369 169 5283137 PGE2 351.01 271 5280360 PGF2a 353 193 5280363 15-keto-PGE2 349 235 5280719 LXA4 351 217 5280914 EPA 301 257 446284 5-HEPE 317.2 115 6439678 8-HEPE 317.21 155 16061128 9-HEPE 317.21 149 16061129 11-HEPE 317.21 167 16061130 12-HEPE 317.2 179 10041593 15-HEPE 317.2 219 16061131 18-HEPE 317.21 259 16061132 19-HEPE 317.2 229 72551575 20-HEPE 317.2 287 72551579 8,9-EpETE 317.2 155 16061086 11,12-EpETE 317.2 167 16061087 14,15-EpETE 317.2 207 16061088 17,18-EpETE 317.2 259 6439311 17,18-diHETE 335 247 16061120 TxB3 367 169 5283140 PGD3 349 269 5282260 PGE3 349.01 269 5280937 d17-6-keto PGF1a 367 163 5283117 PGF3a 351 193 5283217 LXA5 349 215 13914950 DHA 327.1 283 445580 4-HDoHE 343.1 101 14429109 7-HDoHE 343.1 141 16061142 8-HDoHE 343.1 109 11976798 10-HDoHE 343.1 153 11537494 11-HDoHE 343.1 149 11631564 13-HDoHE 343.1 221 11559259 14-HDoHE 343.1 205 11566378 17-HDoHE 343.1 201 6439179 16-HDoHE 343.11 233 11595378 20-HDoHE 343.11 241 16061143 21-HDoHE 343.1 255 52922000 22-HDoHE 343.1 269 72715842 16,17-EpDPE 343.1 233 14392758 19,20-EpDPE 343.1 241 11631565 19,20-diHDoPE 361.1 273.1 16061148 11(12)-EET-d11 330 167 163323613 EPA-d5 306 262 24778482 12,13diHOME 313 183 10236635 d4-12,13diHOME 317 185 9(S)-HODE 295.1 170.9 5282944 13(S)-HODE 295.1 195 5282947 12(S)-HHTrE 279.089 179 5283141 RvD1 375.2 215.1 44251266 10(S), 17(S)-diHDoHE 359.2 152.9 71684570 d4-PGE2 355.111 275.1 496086218 Palmitic acid 255.2 255.2 985 Palmitoleic Acid 253.2 253.2 445638 Stearic acid 283.3 283.3 5281 Oleic acid 281.2 281.2 445639 Linoleic acid 278.9 278.9 5280450 α-Linolenic acid 277.1 277.1 481107797 DPA 329.2 285.2 5497182 LTD4 497.3 189.2 5280878 LTE4 440.2 189.2 5280879 d4-PGD2 355.2 275.2 7850331 d5-LTC4 629 272 PD1 359.2 152.9 16042541 LXB4 351.2 221.2 5280915 METABOLITES_END #END