#METABOLOMICS WORKBENCH shengyuyang_20241220_121053 DATATRACK_ID:5486 STUDY_ID:ST003694 ANALYSIS_ID:AN006060 PROJECT_ID:PR002249 VERSION 1 CREATED_ON 01-31-2025 #PROJECT PR:PROJECT_TITLE Adaptation to cystine limitation stress confers a targetable lipid metabolism PR:PROJECT_TITLE vulnerability in pancreatic ductal adenocarcinoma (PDAC). PR:PROJECT_SUMMARY Cystine/cysteine is critical for antioxidant response and sulfur metabolism in PR:PROJECT_SUMMARY cancer cells and is one of the most depleted amino acids in the PDAC PR:PROJECT_SUMMARY microenvironment. The effects of cystine limitation stress (CLS) on PDAC PR:PROJECT_SUMMARY progression are poorly understood. Here we report that adaptation to CLS (CLSA) PR:PROJECT_SUMMARY promotes PDAC cell proliferation and tumor growth through translational PR:PROJECT_SUMMARY upregulation of the oxidative pentose phosphate pathway (OxPPP). OxPPP activates PR:PROJECT_SUMMARY the de novo synthesis of nucleotides and fatty acids to support tumor growth. On PR:PROJECT_SUMMARY the other hand, CLSA-mediated lipidomic reprogramming depends on PR:PROJECT_SUMMARY triacylglycerides synthesis to mitigate lipotoxicity. Through drug screening, we PR:PROJECT_SUMMARY identified lomitapide as an inhibitor of CLSA PDAC tumor growth and a potent PR:PROJECT_SUMMARY sensitizer of FOLFIRINOX chemotherapy. Mechanistically, lomitapide inhibits PR:PROJECT_SUMMARY triacylglycerides synthesis to interfere with CLSA and chemotherapy-induced PR:PROJECT_SUMMARY lipidomic reprograming. Taken together, CLSA-mediated metabolic and lipidomics PR:PROJECT_SUMMARY reprograming promotes PDAC tumor growth and lomitapide could be used to target PR:PROJECT_SUMMARY the dysregulated lipid metabolism in PDAC. PR:INSTITUTE Pennsylvania State University PR:LAST_NAME Yang PR:FIRST_NAME Shengyu PR:ADDRESS 500 University Drive PR:EMAIL sxy99@psu.edu PR:PHONE 7175311721 PR:DOI http://dx.doi.org/10.21228/M8XC02 #STUDY ST:STUDY_TITLE FOLFIRINOX effects on lipidomics in pancreatic cancer cells ST:STUDY_SUMMARY To understand the effects of FOLFIRINOX treatment on lipid metabolism in PDAC ST:STUDY_SUMMARY cells, MiaPaCa2 cells were treated with the mFOLFIRINOX cocktail consisted of ST:STUDY_SUMMARY 5-FU, SN-38 (metabolic product of Irenocan responsible for its inhibitory ST:STUDY_SUMMARY activity toward DNA topoisomerase I) and oxaliplatin at 10 uM, 5uM and 10 uM, ST:STUDY_SUMMARY respectively, for 24 hours. The lipids were extracted, and targeted metabolomics ST:STUDY_SUMMARY screening were carried out to determine the effects of lomitapide treatment. ST:INSTITUTE Pennsylvania State University ST:LAST_NAME Yang ST:FIRST_NAME Shengyu ST:ADDRESS 500 University Drive ST:EMAIL sxy99@psu.edu ST:PHONE 7175311721 ST:SUBMIT_DATE 2024-12-20 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - F-1 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX RAW_FILE_NAME(Raw_File_Name)=F-1_N.mzML F-1_P.mzML SUBJECT_SAMPLE_FACTORS - F-2 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX RAW_FILE_NAME(Raw_File_Name)=F-2_N.mzML F-2_P.mzML SUBJECT_SAMPLE_FACTORS - F-3 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX RAW_FILE_NAME(Raw_File_Name)=F-3_N.mzML F-3_P.mzML SUBJECT_SAMPLE_FACTORS - con-1 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle RAW_FILE_NAME(Raw_File_Name)=con-1_N.mzML con-1_P.mzML SUBJECT_SAMPLE_FACTORS - con-2 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle RAW_FILE_NAME(Raw_File_Name)=con-2_N.mzML con-2_P.mzML SUBJECT_SAMPLE_FACTORS - con-3 Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle RAW_FILE_NAME(Raw_File_Name)=con-3_N.mzML con-3_P.mzML #COLLECTION CO:COLLECTION_SUMMARY 1x107 cells were harvested using a cell scrapper. The cell pellets were CO:COLLECTION_SUMMARY resuspended in 100 μL dH2O containing proteinase inhibitors. 50 μL cell CO:COLLECTION_SUMMARY suspensions were used for lipid extraction while the remaining samples were used CO:COLLECTION_SUMMARY for protein assay. CO:SAMPLE_TYPE pancreatic cancer cells #TREATMENT TR:TREATMENT_SUMMARY Cells were treated with vehicle control or the mFOLFIRINOX cocktail consisted of TR:TREATMENT_SUMMARY 5-FU, SN-38 and oxaliplatin at 10 μM, 5 μM and 10 μM, respectively, for 24 TR:TREATMENT_SUMMARY hours. The lipids were extracted, and targeted metabolomics screening were TR:TREATMENT_SUMMARY carried out to determine the effects of lomitapide treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1x107 cells were harvested using a cell scrapper. The cell pellets were SP:SAMPLEPREP_SUMMARY resuspended in 100 μL dH2O containing proteinase inhibitors. 50 μL cell SP:SAMPLEPREP_SUMMARY suspensions were used for lipid extraction while the remaining samples were used SP:SAMPLEPREP_SUMMARY for protein assay. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Ultra Performance Liquid Chromatography (UPLC) (Nexera LC-40) CH:COLUMN_NAME Thermo Accucore™C30 (100 x 2.1 mm, 2.6 μm) CH:COLUMN_TEMPERATURE 45°C CH:FLOW_GRADIENT Gradient program: 80:20(V/V) at 0 min, 70:30(V/V) at 2 min, 40:60(V/V) at 4 min CH:FLOW_GRADIENT , 15:85(V/V) at 9 min, 10:90(V/V) at 14 min, 5:95(V/V) at 15.5 min, 5:95(V/V) at CH:FLOW_GRADIENT 17.3 min, 80:20(V/V) at 17.5 min, 80:20(V/V) at 20 min; CH:FLOW_RATE 0.35 mL/min; CH:SOLVENT_A 60% Acetonitrile/40% Water; 0.1% formic acid, 10 mmol/L ammonium formate CH:SOLVENT_B 10% Acetonitrile/90% Isopropyl alcohol; 0.1% formic acid, 10 mmol/L ammonium CH:SOLVENT_B formate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:LABORATORY_NAME Metware Bio AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ Qtrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:MS_COMMENTS Chromatography-mass spectrometry acquisition conditions 1x107 cells were MS:MS_COMMENTS harvested using a cell scrapper. The cell pellets were resuspended in 100 μL MS:MS_COMMENTS dH2O containing proteinase inhibitors. 50 μL cell suspensions were used for MS:MS_COMMENTS lipid extraction while the remaining samples were used for protein assay. The MS:MS_COMMENTS data acquisition instruments consisted of Ultra Performance Liquid MS:MS_COMMENTS Chromatography (UPLC) (NexeraLC-40, Shimadzu) equipped with Thermo MS:MS_COMMENTS Accucore™C30 (2.6 μm, 2.1 mm×100 mm i.d.) column and tandem mass MS:MS_COMMENTS spectrometry (MS/MS) (Triple Quad 6500+, AB/SCIEX). Liquid phase conditions: MS:MS_COMMENTS Mobile phase: A phase was acetonitrile /water (60/40, V/V) (0.1% formic acid MS:MS_COMMENTS added, 10 mmol/Lammonium formate); B phase was acetonitrile / Isopropyl alcohol MS:MS_COMMENTS (10/90, V/V) (0.1% formic acid added, 10 mmol/L ammonium formate); Gradient MS:MS_COMMENTS program: 80:20(V/V) at 0 min, 70:30(V/V) at 2 min, 40:60(V/V) at 4 min , MS:MS_COMMENTS 15:85(V/V) at 9 min, 10:90(V/V) at 14 min, 5:95(V/V) at 15.5 min, 5:95(V/V) at MS:MS_COMMENTS 17.3 min, 80:20(V/V) at 17.5 min, 80:20(V/V) at 20 min; Flow rate: 0.35 ml/min; MS:MS_COMMENTS Column temperature: 45°C; Injection volume: 2 μL. Mass spectrometry MS:MS_COMMENTS conditions: LIT and triple quadrupole (QQQ) scans were acquired on a triple MS:MS_COMMENTS quadrupole-linear ion trap mass spectrometer (QTRAP), QTRAP® 6500+ LC-MS/MS MS:MS_COMMENTS System, equipped with an ESI Turbo Ion-Spray interface,operating in positive and MS:MS_COMMENTS negative ion mode and controlled by Analyst 1.6.3 software (Sciex). The ESI MS:MS_COMMENTS source operation parameters were as following: ion source, turbo spray; source MS:MS_COMMENTS temperature 500°C; ion spray voltage (IS) 5500 V(Positive),-4500 V(Neagtive); MS:MS_COMMENTS Ion source gas 1 (GS1), gas 2 (GS2), curtain gas (CUR) were set at 45, 55, and MS:MS_COMMENTS 35 psi, respectively. Instrument tuning and mass calibration were performed with MS:MS_COMMENTS 10 and 100 μmol/L polypropylene glycol solutions in QQQ and LIT modes, MS:MS_COMMENTS respectively. QQQ scans were acquired as MRM experiments with collision gas MS:MS_COMMENTS (nitrogen) set to 5 psi. DP and CE for individual MRM transitions was done with MS:MS_COMMENTS further DP and CE optimization. A specific set of MRM transitions were monitored MS:MS_COMMENTS for each period according to the lipids eluted within this period. Principles of MS:MS_COMMENTS lipid qualification and quantification With Metware Bio in-house database MWDB, MS:MS_COMMENTS lipids were annotated based on its retention time and ion-pair information from MS:MS_COMMENTS MRM mode. In MRM mode, the first quadrupole screens the precursor ions for MS:MS_COMMENTS target substance and excluded ions of other molecular weights. After ionization MS:MS_COMMENTS induced by the impact chamber, the precursor ions were fragmented, and a MS:MS_COMMENTS characteristic fragment ion was selected through the third quadrupole to exclude MS:MS_COMMENTS the interference of other non-target ions. By selecting a particular fragment, MS:MS_COMMENTS quantification is more accurate and reproducible. Data pre-processing Analyst MS:MS_COMMENTS 1.6.3 was used to process mass spectrum data. The following figure shows the MS:MS_COMMENTS total ions current (TIC) and MRM lipid detection multi-peak diagram (XIC) of the MS:MS_COMMENTS mixed QC samples. The X-axis shows the Retention time (RT) from lipid detection, MS:MS_COMMENTS and the Y-axis shows the ion flow intensity from ion detection (intensity unit: MS:MS_COMMENTS CPS, count per second). MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg protein MS_METABOLITE_DATA_START Samples F-1 F-2 F-3 con-1 con-2 con-3 Factors Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:FOLFIRINOX Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle Sample source:Pancreatic cancer cells, MiaPaCa-2 | Treatment:vehicle 11(S)-HETE 43.5734 37.9572 57.9545 87.0685 60.2951 45.8413 12-Oxochenodeoxycholic acid 57.5420 59.0445 118.9225 104.8567 225.5038 161.1121 6_7-diketolithocholic acid 452.4132 854.0361 431.1812 1198.3628 1495.3192 1210.5664 CerP(d18:1/16:0) 8.9388 18.0560 12.3153 22.7034 14.2447 53.5742 CerP(d18:1/18:1) 273.6370 192.4217 208.3463 179.0523 156.0136 225.8685 CerP(d18:1/24:0) 12.9261 17.2213 19.9943 23.2300 16.9580 14.7983 FFA(10:0) 32732.2010 65370.6610 42306.7537 117495.7314 191738.5083 104589.3763 FFA(15:0) 615.0318 908.5116 666.4763 1256.8766 1790.7653 916.8260 FFA(16:0) 33566.1425 47446.4475 31411.3158 62492.7496 101295.8157 53852.4022 FFA(17:0) 876.6809 1114.1129 494.9311 1158.5734 1787.7506 1188.3133 FFA(18:0) 24392.7868 24601.8617 21095.4224 45406.7169 58184.7989 42280.8117 FFA(18:1) 23558.8453 30400.8719 28281.7751 31129.3472 26499.7089 28038.8541 FFA(18:2) 161.5762 367.2706 257.3178 294.9096 443.1692 396.1044 FFA(19:0) 681.7471 38.1340 1217.9616 185.3680 FFA(19:1) 511.8316 622.0756 405.6812 346.4018 352.7265 640.8881 FFA(20:1) 4294.7984 5060.9544 5946.1273 7442.9567 8290.5802 7499.2808 FFA(20:2) 3471.2812 3409.1151 3257.0405 4376.8330 5275.8237 3093.1752 FFA(20:3) 1751.2770 1792.4214 2190.6785 1879.4636 1655.1013 1406.3933 FFA(20:4) 375.2736 606.2602 388.2949 477.4727 333.1306 309.3175 FFA(20:5) 510.7891 1010.4336 596.9309 672.9088 518.5381 484.5604 FFA(21:2) 259.5643 383.0861 323.3859 706.8468 982.8106 603.0579 FFA(22:1) 314.8129 268.8632 417.2721 195.9042 458.2430 427.2587 FFA(22:2) 371.1039 434.0471 751.0898 931.5399 768.7629 1571.0659 FFA(22:3) 1490.6703 1628.9947 2155.9058 1657.1111 844.1318 927.9526 FFA(22:4) 3773.5850 5570.5644 4103.1756 2307.7847 2155.5508 1760.2169 FFA(22:5) 4534.5565 6976.3851 4844.9926 3346.9900 3105.1991 2470.0895 FFA(22:6) 2457.5211 3756.1771 2213.8603 1966.0640 1658.1160 1563.2774 FFA(24:1) 873.5536 1121.1420 1159.0891 1741.3710 1480.2454 1012.5142 FFA(24:5) 3518.1904 6282.2611 3824.9942 4593.3341 3587.5601 3343.5221 FFA(24:6) 1537.5795 2113.1242 1246.0208 1456.9939 1432.0093 1218.3550 FFA(28:0) 678.6198 1080.7246 723.2716 2410.7690 2900.1957 1368.5631 FFA(29:0) 108.4124 360.2415 248.0451 571.0948 578.8332 482.8914 FFA(30:0) 95.1736 671.2794 282.8178 519.6026 690.3792 694.2954 FFA(32:1) 103.3045 238.9895 213.2724 351.0829 313.5347 445.0612 Glycocholic acid 4273.9498 6185.6109 4497.2659 6600.3578 10431.0572 8322.6440 lithocholicacid-3-sulfate 777.6504 1163.3166 806.7260 1619.6623 2098.2705 1655.6276 LNAPE(16:0/N-16:0) 139.6852 137.7704 133.2953 192.6275 207.4152 173.3513 LNAPE(16:1/N-16:0) 198.0611 189.7858 215.5906 230.7785 193.2459 189.5961 LNAPE(18:1/N-17:0) 65.9856 60.6260 54.5931 81.9193 68.7364 98.8036 LNAPE(18:1/N-18:2) 206.4005 219.6595 266.5905 250.4391 254.4454 295.9657 LNAPE(18:2/N-18:2) 6.0565 7.7847 7.7543 12.6156 7.8384 13.7746 LNAPE(20:4/N-18:2) 13.3431 14.0406 11.3707 16.1732 9.0443 12.7287 LNAPE(20:4/N-22:4) 7.2657 6.8885 8.0789 4.7981 2.3274 4.5396 LNAPE(20:5/N-18:1) 21.6825 26.7106 20.6318 25.7461 31.9564 29.3740 LNAPE(22:5/N-20:2) 93.2972 86.6337 105.4771 101.8140 90.1412 95.6882 LNAPE(22:6/N-20:1) 6.6194 8.7864 6.2243 7.5132 7.6876 7.1210 LNAPE(24:5/N-18:0) 2.3350 2.1439 2.3298 3.7683 3.1052 3.3602 LPA(16:0) 6.8540 18.8907 8.2875 18.1978 29.6954 22.3087 LPA(18:0) 9.7467 12.6085 11.7068 23.5226 25.4747 24.3115 LPG(15:0) 3.5964 3.5673 4.3002 10.2750 7.3560 6.0083 LPG(16:0) 2.5956 2.7589 2.2486 5.6173 6.5420 4.7622 LPG(22:6) 1.4385 2.7941 2.3066 4.9152 5.6979 4.4729 LPI(16:0) 6.1920 7.3278 6.5836 22.9374 11.9384 18.4255 LPI(18:1) 19.2849 25.8320 26.8909 42.5981 38.2874 45.6188 LPI(20:1) 1.7409 2.7589 2.8745 4.7513 3.2258 4.5174 LPI(20:4) 6.4213 10.1922 7.7775 15.4945 11.9686 13.7524 LPS(18:0) 252.2673 279.4069 268.9087 437.6833 349.7117 351.5983 LPS(18:1) 121.9639 224.9313 265.4314 470.4510 410.0069 456.1877 LPS(20:0) 10.5285 11.9846 9.5625 17.2031 15.6466 14.1084 LPS(22:0) 15.5322 12.1252 9.8291 19.7075 22.8519 22.4756 LPS(24:0) 15.9491 14.2339 7.3254 24.1077 16.7018 26.2586 PA(16:0_16:1) 32.2110 24.2504 19.7045 19.0755 40.6992 28.4839 PA(16:0_18:1) 82.8729 81.9769 74.7612 93.8562 88.6338 125.7298 PA(16:0_20:0) 109.4548 119.4948 131.5566 161.4981 137.1714 110.7090 PA(16:0_20:1) 237.6733 262.7127 289.7723 353.4234 278.8650 263.6987 PA(16:0_20:2) 53.1638 66.3372 67.2272 56.8754 53.9641 79.2209 PA(16:0_22:5) 72.4487 101.0434 123.4430 253.9499 182.3928 226.9812 PA(16:1_22:4) 20.7964 34.8819 32.3965 38.9702 29.8461 17.9137 PA(16:1_22:5) 11.0497 21.4388 20.0522 28.9058 48.2361 37.9415 PA(17:1_16:0) 16.9394 8.6634 14.1409 28.6718 20.0481 21.6967 PA(18:0_18:0) 3.0491 2.7238 2.3732 4.0316 2.7962 2.6592 PA(18:0_20:3) 109.4548 124.7666 123.4430 159.1576 99.0347 90.7925 PA(18:0_22:4) 185.5520 217.9022 244.5678 249.2688 203.4961 205.8408 PA(18:0_22:5) 80.7881 113.3443 136.1930 200.1172 180.8854 198.0522 PA(18:0_22:6) 508.1831 521.9109 689.6580 878.8774 619.5324 713.2105 PA(18:1_18:1) 44.3031 59.3081 65.1988 105.9100 82.9058 70.0971 PA(18:1_20:1) 447.2011 571.9933 545.3514 741.9551 548.6857 586.3681 PA(18:1_20:2) 52.6426 46.9193 84.6135 87.4196 43.4125 59.5269 PA(18:1_20:5) 36.8498 24.7776 26.7750 97.2500 59.0892 56.4115 PA(18:1_22:6) 137.6003 188.0285 199.3633 365.1262 281.8797 360.4996 PA(19:0_20:4) 151.6731 146.7325 141.9884 245.7580 115.1637 120.1665 PA(20:0_16:1) 37.1104 49.3795 44.9147 63.0779 56.3759 32.8233 PA(20:0_18:2) 161.5762 173.0917 168.6475 231.7147 164.3042 198.0522 PA(20:0_20:3) 495.1527 541.2410 505.9424 645.9925 595.4144 560.7771 PA(20:0_22:4) 259.5643 317.1883 294.9882 367.4667 257.7617 280.3885 PA(20:1_20:3) 21.7346 29.0829 36.4534 59.6841 18.5408 43.8385 PA(20:1_20:5) 18.2425 17.7485 18.0238 27.9696 11.7576 16.8011 PA(20:3_22:5) 2.5956 4.4020 2.9035 8.9292 7.9590 5.5966 PA(20:4_22:5) 10.5285 10.6315 6.3170 20.7139 25.9269 17.3574 PA(21:0_24:1) 6.2546 6.7392 6.9545 7.2323 7.3711 7.3101 PA(22:0_18:1) 36.1201 33.8276 35.6420 51.7262 56.6774 50.5144 PA(24:1_20:2) 8.0788 8.9621 11.5329 18.9585 12.1344 15.6884 PA(25:0_20:1) 9.1734 9.2257 12.5761 12.8730 11.0039 9.1015 PC(10:0_18:0) 2241.2176 3268.5331 2063.1787 4306.6164 4160.3639 3471.4772 PC(10:0_22:0) 34.6086 36.7271 35.8159 48.4494 55.7730 53.6299 PC(12:0_16:0) 58.6886 150.2471 108.9544 176.7117 151.0393 173.1288 PC(13:0_16:0) 228.2915 296.9796 201.6815 330.0179 211.6359 282.6138 PC(13:0_16:1) 30.9601 23.8990 19.8204 25.9801 16.1892 34.7148 PC(13:0_18:0) 1876.3682 2003.2945 1680.6793 2621.4187 1965.6212 2022.8030 PC(13:0_18:1) 664.0259 713.4540 632.8627 908.1343 768.7629 874.5452 PC(13:1_18:2) 50.6619 47.0950 46.9431 52.1943 58.7878 54.5200 PC(14:0_14:0) 1120.6088 992.8608 996.8167 1919.2530 1361.1625 1502.0815 PC(14:0_15:0) 568.1226 604.5029 500.7265 734.9335 645.1579 649.7893 PC(14:0_15:1) 140.7276 224.9313 141.4089 341.7207 346.6970 273.7126 PC(14:0_16:1) 2387.1573 2249.3131 1993.6333 3978.9391 2571.5872 2915.1507 PC(14:0_17:0) 366.9342 460.4063 403.3630 690.4630 479.3463 447.2865 PC(14:0_17:1) 128.2185 104.2065 109.9976 121.2406 133.5537 121.9468 PC(14:0_18:1) 7046.8051 6712.7937 6838.6259 11866.6008 8411.1704 9190.5133 PC(14:0_18:2) 539.9771 579.9010 572.5900 748.9768 596.9218 591.9314 PC(14:0_18:3) 21.2655 16.3427 16.4591 29.9591 28.6703 10.5257 PC(14:0_20:4) 263.7340 289.9505 237.6133 304.2718 185.1060 214.5195 PC(14:0_20:5) 26.8946 9.9462 17.7341 30.4272 10.7627 21.8080 PC(14:0_22:6) 496.1951 574.6292 436.9766 545.3487 440.1544 473.9902 PC(14:1_16:1) 33.8789 41.6474 40.6840 49.8538 77.7807 63.8663 PC(14:1_18:1) 183.4671 530.6973 215.5906 418.9589 170.0323 220.3053 PC(14:1_18:2) 38.5698 57.8144 22.7181 64.8333 50.3464 77.6632 PC(14:1_22:6) 35.2340 30.0494 27.4704 36.7467 38.5889 40.7231 PC(15:0_16:0) 1897.2167 2126.3038 1390.9070 2296.0819 1887.2375 2162.9973 PC(15:0_16:1) 808.9232 931.3562 651.4081 854.3016 599.9365 687.6195 PC(15:0_17:0) 299.1765 509.6100 324.5450 531.3054 557.7299 502.9191 PC(15:0_18:0) 462.8375 499.0663 421.9084 592.1598 397.9478 558.5518 PC(15:0_20:3) 124.0488 116.3317 104.7817 294.9096 89.2368 289.2898 PC(15:0_20:4) 127.1761 129.1598 119.3862 73.0252 86.5235 69.8746 PC(15:1_16:1) 126.1336 144.2723 158.7952 231.7147 173.0470 171.1260 PC(15:1_17:1) 57.6462 91.2026 77.8908 109.7719 73.8615 71.4323 PC(15:1_18:2) 128.2185 103.3278 99.6817 153.0721 91.0456 89.2348 PC(15:1_19:1) 152.1943 142.3393 105.2453 223.0546 144.7083 154.8813 PC(15:1_20:1) 562.9105 506.0954 624.7490 802.8095 557.7299 636.4375 PC(15:1_20:4) 80.5796 85.9308 60.2726 76.5361 53.3612 34.9373 PC(15:1_22:4) 210.5702 235.4750 213.2724 276.1852 236.9599 206.2859 PC(16:0_14:0) 13551.5482 14163.6432 10779.5290 19754.2624 15375.2577 16667.5410 PC(16:0_16:0) 27676.4311 29082.9151 26774.9592 30544.2091 23665.8379 22920.6505 PC(16:0_16:1) 28770.9792 30576.5995 27586.3216 42129.9435 32860.8450 34714.7717 PC(16:0_16:2) 48.3686 91.0269 56.3317 90.5794 93.1560 90.3474 PC(16:0_17:0) 1029.9177 1268.7532 866.9987 950.2643 726.5563 718.7738 PC(16:0_17:1) 481.6012 845.2497 736.0216 690.4630 596.9218 589.7061 PC(16:0_18:0) 10528.5105 11562.8750 9539.3036 12615.5775 10280.3194 10392.1785 PC(16:0_18:1) 64005.0045 72399.7644 69545.3485 83557.7213 80192.5208 71877.3799 PC(16:0_18:2) 4909.8302 5429.9823 4995.6742 5242.8374 5607.4469 5162.7096 PC(16:0_18:3) 223.0793 267.1059 278.1814 210.1816 268.9163 204.7281 PC(16:0_19:0) 89.0232 106.4909 70.3567 88.7069 92.5530 89.2348 PC(16:0_20:1) 12821.8494 12740.2498 12054.5271 17600.9542 13747.2893 14976.3086 PC(16:0_20:2) 3106.4318 3233.3875 3175.9043 4610.8883 2511.2921 2314.3181 PC(16:0_20:3) 3971.6460 4217.4620 3199.0860 3581.0452 2698.2070 2803.8854 PC(16:0_20:4) 7151.0477 9085.1161 6896.5804 7442.9567 5305.9713 5229.4688 PC(16:0_20:5) 624.4136 750.3568 508.8401 734.9335 479.3463 520.7216 PC(16:0_22:0) 180.3398 175.7276 126.3407 245.7580 208.6211 217.8574 PC(16:0_22:1) 1448.9732 1286.3259 1356.1343 1795.2037 1302.3748 1555.4888 PC(16:0_22:5) 2105.7021 2917.0779 2167.4967 3229.9623 2321.3624 2625.8609 PC(16:0_22:6) 6734.0770 7257.5492 5482.4916 6974.8462 5607.4469 5607.7708 PC(16:0_24:0) 533.7225 469.1926 316.4313 650.6736 590.8923 556.3265 PC(16:0_24:6) 789.1171 890.9388 741.8171 1289.6444 994.8696 1057.0203 PC(16:0_26:0) 400.2919 374.2998 324.5450 741.9551 624.0546 516.2710 PC(16:1_16:1) 2027.5201 1862.7124 1889.3153 3042.7181 1884.2228 2280.9385 PC(16:1_16:2) 87.4596 70.2910 87.9749 114.6871 85.3176 76.5505 PC(16:1_17:1) 200.1459 177.4849 203.9997 123.1131 182.3928 210.9590 PC(16:1_18:1) 15740.6444 16746.8387 15299.9767 23873.6347 16581.1603 18648.0633 PC(16:1_18:2) 1115.3967 1328.5005 1309.7707 1317.7310 1184.7993 1192.7640 PC(16:1_18:3) 74.0123 72.7512 36.0477 130.1347 77.1778 65.6465 PC(16:1_20:3) 624.4136 548.2701 509.9992 514.9215 272.5340 445.0612 PC(16:1_22:5) 800.5838 787.2596 666.4763 674.0791 461.2577 605.2832 PC(16:1_22:6) 175.1277 189.7858 164.5907 181.8609 113.9578 75.2153 PC(16:2_18:2) 50.7662 70.8182 52.5067 18.2563 25.6254 47.6215 PC(17:0_15:1) 361.7221 347.9406 296.7268 496.1971 340.6675 429.4840 PC(17:0_16:1) 659.8562 778.4732 724.4307 1383.2665 907.4417 1050.3444 PC(17:0_18:0) 224.1218 217.9022 188.9315 194.9680 200.4813 198.7198 PC(17:0_18:1) 4075.8887 4445.9079 3488.8583 4470.4551 3436.8223 3493.7302 PC(17:0_18:2) 302.3038 302.2514 224.8633 182.3290 157.9732 160.2220 PC(17:0_20:3) 117.7942 114.5744 99.6817 129.6666 69.9423 86.1193 PC(17:0_20:5) 26.1649 24.7776 22.1386 17.9988 22.8820 24.9234 PC(17:1_18:1) 5378.9222 5148.8182 3998.8575 6179.0584 5486.8567 4851.1668 PC(17:1_18:2) 281.4552 281.1641 207.4770 320.6557 269.2177 331.5706 PC(17:1_20:4) 68.2790 63.0862 23.6454 30.8953 40.3977 46.2864 PC(18:0_14:0) 1125.8209 1750.2467 1182.2709 2598.0132 2309.3034 2142.9696 PC(18:0_15:1) 18450.9541 20560.1273 18081.7906 27150.4080 15676.7334 21318.4303 PC(18:0_18:0) 423.7465 496.4304 380.7608 249.2688 183.9001 196.9396 PC(18:0_18:1) 36067.9667 40593.0718 32686.3138 46108.8826 37382.9796 38942.8529 PC(18:0_18:2) 4138.4343 5324.5458 3651.1308 4330.0220 3466.9699 3805.2731 PC(18:0_20:2) 800.5838 852.2788 729.0671 954.9454 611.9956 732.1256 PC(18:0_20:3) 3471.2812 3936.2979 2990.4500 3346.9900 2411.8051 2425.5834 PC(18:0_20:4) 5149.5883 6519.4933 4207.4936 3955.5336 3005.7122 3115.4282 PC(18:0_22:1) 1407.2762 1203.7339 1379.3161 1481.5697 1133.5484 1386.3656 PC(18:0_22:3) 109.4548 52.7183 74.7612 85.8983 60.2951 57.8580 PC(18:0_22:4) 550.4013 644.9202 516.9538 606.2031 425.0807 393.8791 PC(18:0_22:5) 1271.7607 1497.1990 929.5895 1242.8333 895.3827 745.4775 PC(18:0_22:6) 1772.1255 2126.3038 1634.3157 1792.8632 1552.5996 1535.4611 PC(18:0_24:3) 18.9722 30.4009 19.7045 33.2358 19.7165 20.2058 PC(18:1_16:2) 547.2741 497.3091 462.4766 798.1284 521.5529 522.9469 PC(18:1_17:2) 1198.7908 1576.2764 1309.7707 2162.6704 1736.4997 1689.0072 PC(18:1_18:1) 54206.1928 55442.0526 49319.2430 74546.5945 56828.1585 60528.3199 PC(18:1_18:2) 9538.2051 9418.9985 8542.4870 9643.0760 6662.6117 7254.4972 PC(18:1_19:1) 3252.3716 3321.2513 2897.7229 4447.0496 3466.9699 3404.7180 PC(18:1_19:2) 194.9338 186.2712 137.9316 211.5859 124.2080 148.4279 PC(18:1_20:0) 462.8375 460.4063 369.7494 564.0731 524.5676 578.5795 PC(18:1_20:1) 10424.2678 10438.2185 10339.0752 15962.5675 11516.3695 11860.8803 PC(18:1_20:4) 7182.3205 9067.5433 6827.0350 6857.8186 5215.5286 4717.6485 PC(18:1_20:5) 88.1893 105.6123 45.3204 248.0986 95.2663 120.1665 PC(18:1_22:0) 271.0310 244.2613 213.2724 383.8506 322.5789 313.7681 PC(18:1_22:5) 3387.8870 3637.5610 2770.2231 2902.2850 2345.4805 2447.8365 PC(18:1_22:6) 5993.9540 6009.8834 5007.2651 5710.9479 4733.1676 4183.5751 PC(18:1_24:1) 1115.3967 987.5890 968.9985 1659.4517 1326.4928 1435.3223 PC(18:2_18:2) 472.7405 460.4063 404.5221 328.8476 265.2986 242.5583 PC(18:2_19:2) 30.6473 26.1834 20.7477 23.6396 PC(18:2_20:0) 82.9772 91.9055 87.3953 138.0926 127.5242 100.5838 PC(18:2_20:3) 352.3403 311.0378 202.8406 214.1605 146.8186 135.9662 PC(18:2_20:4) 721.3593 831.1915 623.5900 433.0022 301.4756 289.2898 PC(18:2_20:5) 35.1298 64.1406 43.1181 33.7040 20.6812 34.9373 PC(18:2_22:1) 78.4947 85.4036 68.1544 111.1762 91.0456 77.2181 PC(18:2_22:6) 598.3530 618.5611 420.7494 390.8723 397.9478 315.9934 PC(18:3_18:1) 349.2130 349.6979 345.4086 315.9746 385.8888 353.8236 PC(19:0_18:1) 301.2613 328.6106 275.8632 353.4234 358.7560 353.8236 PC(19:0_18:2) 36.0680 62.5590 43.2340 46.3429 47.0302 45.3962 PC(19:0_20:4) 138.6428 207.3585 99.3339 139.0288 90.7442 95.9107 PC(19:1_18:2) 206.4005 221.4168 154.1589 193.0956 108.8327 150.8757 PC(19:1_22:6) 42.6353 38.4843 38.1340 48.4494 47.3317 38.4978 PC(20:0_20:3) 77.5566 70.8182 73.0226 101.5800 100.0899 81.2237 PC(20:0_22:6) 28.3540 30.4009 22.9500 47.5132 34.3682 39.6104 PC(20:1_18:2) 947.5659 885.6670 762.6807 1020.4809 952.6630 892.3477 PC(20:1_20:3) 580.6317 534.2119 526.2265 655.3547 621.0398 527.3975 PC(20:1_20:4) 333.5766 388.3580 367.4313 430.6616 279.4679 336.0212 PC(20:1_22:6) 167.8307 177.4849 194.7270 259.8013 199.5769 156.8841 PC(20:2_18:1) 2126.5506 1968.1489 1935.6789 2644.8242 1851.0604 2292.0651 PC(20:2_20:4) 254.3521 281.1641 231.8178 214.6287 232.4377 249.2343 PC(20:2_22:6) 82.6644 78.5502 73.8340 128.0282 73.5601 91.9051 PC(20:3_18:1) 5420.6193 6291.0475 4902.9471 5593.9203 4341.2492 4139.0689 PC(20:3_20:4) 412.8010 449.8626 361.6358 122.1768 124.2080 75.8829 PC(20:3_22:1) 90.4826 80.4832 58.4181 53.1305 76.2733 68.7620 PC(20:4_16:1) 787.0322 940.1426 770.7943 617.9058 422.0659 534.0734 PC(20:4_17:0) 460.7526 558.8137 351.2040 428.3211 294.5417 291.5151 PC(20:4_20:4) 722.4018 887.4243 564.4764 135.5180 92.8545 108.8175 PC(20:4_20:5) 111.5397 129.5112 105.9407 109.7719 60.2951 70.3197 PC(20:4_22:5) 112.5821 169.5771 147.2043 215.5649 175.7603 206.7309 PC(20:5_18:0) 312.7280 349.6979 280.4996 332.3584 229.1215 269.2620 PC(22:4_16:0) 981.9660 1263.4813 930.7486 1053.2486 859.2056 907.9248 PC(22:4_18:1) 815.1777 896.2107 802.0897 866.0044 521.5529 647.5640 PC(22:6_17:0) 19.9104 26.1834 18.4295 29.2569 69.0379 11.3713 PC(24:0_16:1) 144.8973 110.5326 103.6226 223.0546 176.0618 194.0467 PC(24:0_18:1) 872.5112 732.7840 614.3172 1029.8431 1097.3713 1059.2456 PC(24:0_18:2) 78.8075 74.8600 60.8522 106.2611 89.8397 92.1277 PC(24:1_20:4) 142.8125 171.8616 122.8634 155.1786 133.2522 111.0428 PE(14:0_18:1) 70.5723 58.5173 76.4999 95.0264 71.1483 80.5561 PE(14:0_18:3) 1.5949 4.1647 1.3793 3.7449 2.4299 3.8275 PE(14:0_20:2) 9.5486 11.1411 9.0409 10.9070 11.2149 15.2879 PE(14:0_22:3) 10.6328 15.2180 9.2379 20.0351 19.7165 17.0903 PE(14:0_22:4) 4.1593 4.9907 3.5236 8.4260 5.2758 5.7413 PE(14:0_22:6) 0.8141 1.2916 2.4805 1.3294 4.9442 4.0278 PE(15:0_18:1) 121.9639 72.3998 99.5658 143.9440 124.5094 121.5017 PE(15:0_18:2) 6.3692 8.2241 7.3139 8.7537 5.1552 9.2573 PE(15:0_22:4) 5.0453 4.3405 4.4741 6.7408 5.2155 4.8289 PE(15:1_20:2) 13.7600 17.3443 16.9227 17.2265 15.0436 12.4172 PE(15:1_22:3) 5.6604 8.6809 7.5457 8.5898 6.4516 8.5007 PE(15:1_22:4) 205.3581 230.2031 248.0451 245.7580 230.0259 260.3608 PE(16:0_14:0) 38.5698 37.0785 39.8727 57.1095 39.7948 56.9678 PE(16:0_16:0) 134.4731 170.4558 180.8179 186.0739 125.1124 186.9257 PE(16:0_17:1) 58.3759 59.0445 94.5817 82.8556 101.2958 88.5672 PE(16:0_18:3) 3.0439 3.6903 4.4973 4.9620 5.7582 3.2489 PE(16:0_19:1) 3.2732 3.7079 4.4741 3.3470 3.9192 3.4937 PE(16:0_19:2) 7.0051 10.5964 10.1652 14.8859 9.7377 12.8845 PE(16:0_20:3) 16.4703 13.9703 19.5886 10.3218 8.5016 17.1349 PE(16:0_20:4) 695.2987 731.0267 746.4534 760.6795 569.7890 667.5918 PE(16:0_20:5) 28.7710 37.9572 25.8477 42.3640 40.0963 40.9456 PE(16:0_22:5) 9.6529 8.6107 9.3770 11.9368 14.1694 9.5466 PE(16:1_14:0) 6.0982 6.9412 9.4118 12.2411 8.5318 8.6564 PE(16:1_16:0) 373.1888 318.0669 411.4766 468.1105 355.7413 420.5828 PE(16:1_16:1) 26.2692 21.4388 39.4090 54.5349 36.4786 48.9567 PE(16:1_17:1) 16.9916 16.6765 18.6613 33.2358 21.3746 16.2447 PE(16:1_18:0) 185.5520 163.4267 170.3861 209.0113 207.7167 267.0367 PE(16:1_18:2) 21.8910 22.6689 19.9363 27.1504 26.2284 28.0389 PE(16:1_20:4) 52.5383 57.9901 47.5227 90.3453 62.1040 73.6576 PE(16:1_22:4) 6.0773 10.9303 8.3454 12.7326 10.8230 10.6147 PE(16:1_22:6) 17.2000 14.2339 16.4591 23.2417 30.7505 23.3657 PE(17:0_18:1) 120.9215 145.8539 132.1362 203.6281 214.0477 205.1732 PE(17:0_18:2) 8.7147 5.0258 8.6468 9.2218 4.7332 9.7023 PE(17:0_20:3) 36.1722 47.0950 39.8727 66.4717 59.6922 83.2264 PE(17:0_20:4) 172.0004 179.2421 154.1589 250.4391 194.7533 169.5683 PE(17:0_20:5) 14.3855 14.7435 11.2779 20.4330 15.5260 13.0180 PE(17:0_22:3) 2.4914 1.6677 1.8893 2.6916 3.5574 3.0264 PE(17:0_22:5) 24.8098 29.5222 26.6591 37.2148 42.2066 42.9484 PE(17:0_22:6) 33.2534 36.1999 44.7408 43.3002 49.1405 56.0777 PE(17:1_18:1) 190.7641 154.9917 168.0679 230.7785 245.4012 231.4318 PE(17:1_18:2) 11.7794 12.1428 10.0957 12.2411 19.4753 22.0528 PE(17:1_22:6) 6.1190 6.0275 6.8618 9.0111 7.7479 8.5674 PE(17:2_20:3) 145.9397 141.6364 148.3634 141.3694 148.6275 145.9801 PE(18:0_14:0) 91.8378 101.7463 117.0680 143.0078 96.4722 138.8591 PE(18:0_16:2) 21.4740 21.6145 15.3000 21.3692 15.8576 21.6077 PE(18:0_18:2) 605.6500 666.0075 586.4991 830.8961 777.8072 776.6318 PE(18:0_18:3) 33.0449 39.5387 35.0045 51.4922 42.2066 40.7231 PE(18:0_20:5) 253.3097 281.1641 243.4087 360.4451 313.5347 347.1477 PE(18:0_22:1) 14.9067 15.3586 15.8795 17.2265 18.5709 18.2698 PE(18:0_22:5) 279.3704 244.2613 222.5451 348.7423 285.7989 353.8236 PE(18:0_24:3) 1.4177 0.9331 1.1939 2.2048 1.8842 1.7090 PE(18:0_24:5) 3.9091 4.9204 4.4625 7.6536 4.5824 6.5424 PE(18:1_16:1) 916.2931 787.2596 974.7940 1203.0439 859.2056 1077.0480 PE(18:1_18:1) 4555.4050 4314.1122 4549.4249 6015.2197 4582.4298 5785.7953 PE(18:1_18:2) 526.4255 553.5419 532.0219 723.2307 545.6709 678.7183 PE(18:1_19:2) 17.6170 21.6145 31.0636 26.9164 24.0578 25.5910 PE(18:1_20:2) 90.6911 84.8764 112.7794 117.9638 105.2150 124.1721 PE(18:1_20:3) 158.4489 142.6908 168.0679 217.9054 113.0534 198.0522 PE(18:1_20:4) 153.2367 170.9829 180.8179 189.3507 133.2522 156.2165 PE(18:1_22:2) 74.9505 68.1823 68.8499 94.5583 87.7294 85.6743 PE(18:1_22:5) 13.9685 17.1686 17.2704 23.6396 12.2098 16.0222 PE(18:1_24:1) 144.8973 137.7704 139.0907 224.4590 172.7455 201.6127 PE(18:2_16:0) 155.3216 167.8198 159.9543 209.0113 170.0323 231.4318 PE(18:2_18:2) 7.5576 4.4811 4.7581 2.0597 6.9792 9.4019 PE(18:2_19:1) 19.5976 24.9533 19.2409 27.6185 13.2649 26.0361 PE(18:2_20:2) 9.3506 9.8407 13.4454 17.2499 10.3708 14.2420 PE(18:2_22:5) 10.6328 10.9830 6.5952 11.5389 8.0795 7.3880 PE(18:3_16:0) 7.4221 3.1807 5.9577 7.4898 13.9282 9.4130 PE(18:3_18:1) 22.6207 19.3300 19.9363 33.4699 17.0334 27.1487 PE(19:0_18:2) 8.0058 8.8918 8.9713 12.7794 14.4708 17.2016 PE(19:0_20:4) 38.9868 37.7814 32.6863 51.2581 39.1918 52.7397 PE(19:0_22:6) 21.2655 18.4514 11.7068 27.6185 19.8371 23.1432 PE(19:1_20:4) 13.1346 14.9896 12.1704 13.2709 10.5516 13.8191 PE(19:2_22:5) 2.6269 3.5146 1.1290 3.2066 5.0949 3.6272 PE(20:1_20:4) 42.8437 46.3921 41.9590 51.2581 39.4933 45.6188 PE(20:1_20:5) 12.1964 10.8248 8.7627 12.5688 12.5715 6.6982 PE(20:2_16:0) 31.7940 27.4135 33.1499 44.0024 41.6036 38.7203 PE(20:2_20:4) 364.8494 435.8044 424.2266 395.5534 379.8593 367.1755 PE(20:2_20:5) 40.2377 50.7853 50.6522 48.2154 46.1258 56.5228 PE(20:2_22:5) 19.7019 26.0077 23.6454 25.9801 30.4490 36.0500 PE(20:2_22:6) 186.5944 195.0576 228.3406 250.4391 210.1285 267.0367 PE(20:3_18:0) 114.6669 109.8297 97.1317 153.5402 118.4799 138.6366 PE(20:3_20:4) 8.2039 7.3630 9.4929 6.7876 8.3207 9.5911 PE(20:3_22:6) 42.7395 37.2542 35.3522 41.6618 35.5741 39.1654 PE(20:4_14:0) 7.1094 9.8232 6.5025 7.0685 10.9737 10.6147 PE(20:4_18:0) 5451.8921 6220.7565 5088.4013 7138.6849 5697.8896 6141.8442 PE(20:4_20:4) 4.8160 5.7990 6.0273 3.1949 2.8188 3.3825 PE(20:4_22:6) 39.2995 40.9445 36.7431 19.9415 24.4798 23.8108 PE(20:5_16:1) 3.0439 3.9890 1.8545 3.2768 3.0027 4.2948 PE(20:5_18:1) 106.3275 116.8588 104.3180 159.8597 139.5832 139.0816 PE(20:5_18:2) 3.6693 4.3405 2.9904 3.9321 3.7986 2.4701 PE(22:0_18:1) 36.9019 41.2960 35.8159 50.5559 41.9051 47.8441 PE(22:1_18:0) 13.9685 13.2147 13.5613 19.2159 13.4157 19.1821 PE(22:2_22:5) 13.8643 12.0901 13.2136 11.4687 13.0840 10.8817 PE(22:3_20:4) 159.4913 140.9335 173.8634 172.4987 149.5319 144.4224 PE(22:5_22:6) 5.7750 8.2943 8.4961 15.1200 13.5966 9.7246 PE(22:6_16:0) 116.7518 107.0181 101.6521 168.2857 169.1278 160.8896 PE(22:6_18:0) 1886.7925 1985.7217 1982.0424 2691.6353 1802.8243 2581.3548 PE(22:6_18:1) 376.3161 337.3970 402.2039 482.1538 425.0807 509.5950 PE(22:6_18:2) 8.2352 17.9242 10.5477 18.1393 13.6870 15.2656 PE(22:6_20:1) 46.5965 44.6348 43.4658 66.9398 43.1110 60.5283 PE(24:0_16:1) 75.3675 64.4920 62.5908 98.0691 94.0604 103.2542 PE(24:0_18:1) 314.8129 265.3487 248.0451 409.5967 403.9774 405.0057 PE(24:0_20:4) 11.8837 13.8298 12.1704 14.5582 16.1892 14.2642 PE(O-14:1_22:6) 5.1496 5.2015 3.8714 10.0176 2.7736 5.2962 PE(O-15:1_20:4) 50.4535 47.6222 58.4181 52.4284 36.7800 45.1737 PE(O-15:1_22:6) 11.3625 10.7897 12.0545 24.8099 15.9481 11.9054 PE(O-16:0_20:5) 3.5755 3.1455 5.1579 3.1363 7.0244 3.7163 PE(O-16:1_16:1) 118.8367 99.9890 113.9385 155.6467 126.6198 143.3097 PE(O-16:1_20:3) 183.4671 157.9791 184.2952 252.7797 170.9367 193.3791 PE(O-16:1_20:4) 5024.4971 4797.3630 4508.8568 4938.5656 4582.4298 4472.8648 PE(O-16:1_20:5) 433.6495 476.2218 454.3629 514.9215 419.0511 487.3420 PE(O-16:1_22:5) 1313.4577 1189.6757 1286.5889 1509.6563 1227.0059 1477.6031 PE(O-16:1_22:6) 2699.8854 2600.7682 2851.3593 3464.0176 3075.0515 3404.7180 PE(O-16:2_20:4) 39.1952 37.2542 46.4795 45.4067 30.1476 39.1654 PE(O-16:2_20:5) 2.5122 3.2510 2.6659 4.8683 1.7516 1.9382 PE(O-16:2_22:6) 12.0922 8.7512 7.6848 7.4664 6.0597 10.8150 PE(O-17:1_18:1) 66.0899 72.5755 65.8363 89.6432 76.5748 82.3363 PE(O-17:1_20:5) 56.1868 57.9901 49.1454 66.7057 58.1848 70.3197 PE(O-17:1_22:5) 10.0177 12.1076 5.1348 7.1855 12.2701 11.0153 PE(O-18:0_20:5) 5.4519 5.9220 4.7986 4.4705 4.5221 4.6954 PE(O-18:1_16:0) 111.5397 109.4783 98.9862 122.6449 119.6858 116.3835 PE(O-18:1_18:0) 9.4340 9.2784 8.3918 12.8496 11.7274 10.5257 PE(O-18:1_20:3) 484.7285 511.3673 490.2947 596.8409 593.9070 596.3820 PE(O-18:1_22:1) 21.2655 18.6271 19.5886 24.1077 20.3195 23.8108 PE(O-18:1_22:5) 154.2792 120.7248 144.8861 156.3489 163.0983 166.4529 PE(O-18:2_20:4) 2501.8243 2635.9138 2468.8599 2551.2021 1724.4407 2183.0251 PE(O-18:2_22:5) 86.8342 60.2746 72.4431 95.7286 53.3612 85.0067 PE(O-18:2_22:6) 1240.4879 1057.8801 1309.7707 1289.6444 1085.3123 1355.2113 PE(O-18:2_24:1) 7.0677 6.1856 7.3718 7.7238 7.7178 6.6314 PE(O-18:3_20:4) 3.5547 2.3547 1.6343 5.6875 3.1353 3.0264 PE(O-19:1_20:4) 32.2110 40.2416 31.7590 42.3640 31.3535 34.0472 PE(O-20:1_20:1) 4.0967 3.4267 3.8714 4.7279 3.6177 3.8275 PE(O-20:1_20:5) 13.8643 12.6524 12.9818 16.0562 15.0738 16.3115 PE(O-20:1_22:5) 3.0752 3.0049 2.7470 4.3066 4.5824 4.7622 PE(O-20:5_16:0) 2.8041 2.8468 2.9441 7.6302 3.9795 5.4520 PE(O-22:1_18:1) 11.1540 7.6617 9.1684 10.6261 9.4362 10.9263 PE(O-22:1_18:2) 1.3969 1.2195 1.3793 1.8631 1.8209 2.0317 PE(O-22:1_20:3) 3.7215 2.9171 2.9904 3.8619 3.4971 4.7844 PE(O-24:1_18:2) 0.7568 0.7504 0.6468 0.9924 0.9949 0.5474 PE(O-24:1_20:4) 6.2337 5.9923 5.7143 6.4599 5.6376 7.0765 PE(O-24:2_18:1) 14.5940 12.7227 15.5318 17.7414 13.6870 18.0250 PG(12:0_17:1) 0.5316 0.9138 0.6723 1.6150 2.3364 1.4019 PG(14:0_16:0) 1.3916 2.3811 1.9183 5.3131 4.4468 2.1029 PG(14:0_16:1) 80.7881 109.8297 106.6362 155.6467 180.8854 140.1943 PG(14:0_18:2) 38.4134 35.0577 41.2056 76.7701 78.5344 59.5269 PG(15:0_16:1) 10.8412 22.0538 17.5022 12.8730 23.2136 9.0904 PG(15:0_18:2) 8.0267 13.1796 12.9238 17.9052 16.8826 13.4631 PG(15:0_22:0) 42.1140 59.9231 42.5386 63.3119 76.8763 62.0860 PG(16:0_15:1) 9.4861 8.5404 11.8807 6.1322 14.0186 14.4645 PG(16:0_16:0) 3.2055 7.8199 5.5347 10.2399 14.5462 10.4033 PG(16:0_16:2) 106.3275 110.7084 85.7726 177.8820 177.8706 162.4473 PG(16:0_17:2) 44.7722 81.0983 59.1135 101.2289 104.6120 93.2403 PG(16:0_18:1) 35.7552 67.8308 39.9306 89.7602 116.9725 76.7731 PG(16:0_18:3) 20.9007 52.9819 26.8909 59.3330 79.8910 46.9540 PG(16:0_20:0) 443.5526 579.0224 531.4424 827.3853 919.5007 642.0007 PG(16:0_20:1) 75.5759 81.8891 86.3521 170.8603 155.2600 155.7714 PG(16:0_20:2) 25.5916 28.0285 26.3113 46.4600 54.7178 45.2850 PG(16:0_20:5) 28.3019 37.6936 23.1238 31.1293 38.4381 20.4728 PG(16:0_22:0) 2095.2778 2117.5174 2179.0876 2960.7988 3497.1174 2892.8976 PG(16:0_22:1) 172.5216 205.6013 149.5225 246.9283 322.5789 213.6294 PG(16:0_22:2) 41.1237 40.9445 44.4511 78.8766 82.3029 74.8815 PG(16:0_22:3) 3.5390 9.0500 5.3318 7.8174 12.7976 7.8442 PG(16:0_22:6) 10.2158 10.3679 9.7943 16.0328 24.2688 22.4756 PG(16:0_24:0) 191.2853 223.1740 209.7951 338.2098 373.8298 272.6000 PG(16:1_16:1) 3.5130 3.5848 4.0974 7.1270 7.9137 5.7635 PG(16:1_16:2) 13.2909 16.6063 18.2557 33.0018 29.8461 28.1501 PG(16:1_17:1) 22.5685 25.2169 25.2102 39.0872 41.7544 38.0527 PG(16:1_18:2) 75.0547 77.9352 67.2272 157.9873 100.6929 121.2792 PG(16:1_20:3) 14.0206 24.2504 25.0943 21.6501 30.2983 20.9179 PG(16:1_20:5) 3.7996 6.0362 3.3092 7.5132 7.4163 3.6829 PG(17:0_18:0) 16.6788 20.4723 19.5886 24.6928 31.6549 26.4811 PG(17:0_19:0) 9.7988 12.3009 7.7659 13.5752 16.8826 12.1279 PG(17:1_18:2) 17.7734 26.0077 21.3852 30.3102 32.4086 28.4839 PG(18:0_16:1) 370.5827 457.7704 458.9993 560.5623 676.8128 595.2693 PG(18:0_18:2) 7.9746 12.2131 7.9977 13.4582 27.1328 14.3532 PG(18:0_19:0) 500.3649 642.2843 554.6242 836.7475 771.7776 808.8987 PG(18:0_20:4) 2.2464 3.4267 2.5616 3.2267 PG(18:0_22:0) 148.5458 202.9654 158.7952 236.3958 263.7912 219.1926 PG(18:0_22:6) 13.7600 14.4097 14.4307 15.3306 17.1841 16.2447 PG(18:1_14:0) 4.3052 5.8693 4.7754 14.0433 14.7422 12.3504 PG(18:1_16:1) 31.6898 41.0324 46.4215 85.7812 77.4792 69.2070 PG(18:1_18:1) 64.3699 77.3201 82.8749 114.1019 113.8071 104.0330 PG(18:1_18:3) 21.3697 38.0450 34.8306 38.5021 40.2470 27.0375 PG(18:1_19:1) 67.7577 72.3998 68.9658 77.7063 72.3542 76.7731 PG(18:1_20:2) 3.4452 1.8012 2.8456 10.7782 14.6216 6.6870 PG(18:1_21:1) 22.6207 41.2081 29.0931 60.7373 64.6665 58.8593 PG(18:1_22:6) 10.1115 7.3542 9.2148 23.4055 19.8974 17.0236 PG(18:2_16:0) 2.1630 1.0192 1.1243 4.3885 9.8432 5.4297 PG(18:2_16:1) 2.8979 4.5777 5.0247 7.2557 4.9442 6.8762 PG(18:2_18:1) 17.5128 24.6897 17.6761 31.9485 44.1662 39.2766 PG(18:2_18:2) 2.6321 3.9758 3.2165 4.8742 8.1398 5.4909 PG(18:2_21:2) 9.1212 12.0373 10.8375 14.7455 17.4856 14.7983 PG(18:2_22:2) 4.8369 6.6074 8.9829 9.7250 4.8839 5.9972 PG(18:2_22:5) 2.4758 3.3213 2.5442 6.4482 4.2810 3.9610 PG(19:0_15:1) 12.8740 15.1126 12.8079 17.7882 20.1989 14.5758 PG(19:0_20:1) 10.8934 14.4097 16.5750 23.9907 17.3348 20.3615 PG(19:0_20:3) 10.9455 13.6189 15.4738 20.7139 13.8980 10.4033 PG(19:0_20:4) 34.7128 50.1702 37.1488 41.7789 45.5228 29.7078 PG(19:0_22:6) 8.9649 13.4432 9.0409 12.8730 10.4763 10.8595 PG(19:2_20:3) 3.5443 3.5673 3.0368 1.2171 7.2505 7.5660 PG(19:2_20:4) 125.0912 139.7034 138.5112 162.6684 148.1753 152.4335 PG(20:0_20:4) 23.6110 28.5557 25.5579 24.2247 12.6017 11.6829 PG(20:0_22:6) 7.1927 7.1609 5.8534 9.2218 11.3355 6.9652 PG(20:1_18:1) 39.2995 42.2625 40.0465 89.4091 66.1739 73.8802 PG(20:1_22:1) 5.7855 7.8990 7.6500 7.3259 5.4115 8.8122 PG(20:2_22:6) 5.4727 4.2526 4.1669 6.1674 6.0144 6.5758 PG(20:4_22:6) 10.5806 10.4558 9.3307 11.9368 11.6822 17.2461 PG(21:0_18:2) 6.4630 10.1043 7.4182 9.1516 10.3406 13.9082 PG(21:0_20:4) 43.2607 50.0824 40.2204 81.3342 63.9128 50.8482 PG(21:1_18:2) 2.8198 2.0648 3.2454 4.5641 3.9343 3.7830 PG(21:1_20:4) 10.1637 21.1752 12.7500 22.2352 8.6825 16.6898 PG(22:0_16:1) 380.4858 412.0812 349.4654 594.5003 654.2021 590.8187 PG(22:0_17:1) 75.0547 97.5288 93.3067 111.7614 144.8590 93.0178 PG(22:0_18:1) 1839.8833 2012.0808 1999.4288 3124.6375 3466.9699 2748.2528 PG(22:0_20:1) 58.3759 60.5382 62.0113 94.7924 108.3805 85.3405 PG(22:0_20:2) 29.6570 43.5804 32.8602 60.9714 43.7140 33.7134 PG(22:0_20:3) 104.2427 137.0675 92.7271 128.7304 122.3991 109.8188 PG(22:0_20:4) 192.8490 287.3146 205.1588 197.7767 239.6731 171.3486 PG(22:0_20:5) 21.6304 22.6689 22.8341 30.0761 30.7505 24.0333 PG(22:0_22:4) 13.4473 15.4640 15.8216 15.7987 16.1289 15.1321 PG(22:0_22:6) 56.8123 67.9187 57.0851 67.5249 70.9975 64.5339 PG(22:1_18:2) 3.5651 7.6881 3.5120 5.2896 5.7280 4.5174 PG(22:1_20:5) 4.4407 6.6689 7.3602 4.0140 8.3961 8.9346 PG(22:5_22:6) 33.5661 38.5722 31.3534 45.6408 47.1809 61.1959 PG(22:6_22:6) 82.6123 103.2400 79.1078 118.1979 137.1714 135.7437 PG(24:0_18:1) 155.3216 180.9994 178.4997 273.8446 321.0716 252.5722 PG(24:0_18:2) 14.9067 16.5184 16.6909 22.2352 33.1623 18.4700 PG(24:0_20:4) 14.1249 24.0747 19.8784 24.9269 21.4048 25.0347 PGE2 36.9019 38.3086 27.3545 58.9819 50.8288 55.6326 PI(10:0_16:0) 95.6948 145.1510 81.7158 236.3958 304.4904 166.6754 PI(12:0_18:0) 184.5095 284.6787 180.8179 456.4077 605.9660 427.2587 PI(12:0_18:1) 855.8324 1286.3259 883.2259 1865.4203 1884.2228 1533.2357 PI(13:0_18:1) 190.7641 188.0285 122.8634 193.0956 145.0098 120.1665 PI(13:1_18:1) 801.6262 1249.4231 640.9763 1603.2784 2402.7609 1615.5721 PI(14:0_19:0) 90.6911 100.1647 91.2203 113.9849 116.9725 119.7215 PI(14:1_18:1) 76.3056 59.3959 57.3749 99.4735 86.8250 136.4113 PI(14:1_24:2) 69.8426 98.4074 87.5112 74.4296 78.3837 81.8913 PI(15:0_17:1) 20.6401 33.2125 45.5522 96.8989 63.3099 71.2098 PI(15:0_19:0) 49.8280 29.8737 31.6431 51.2581 31.3535 81.8913 PI(15:0_19:1) 362.7645 374.2998 352.3631 676.4196 572.8037 720.9991 PI(15:0_19:2) 219.9521 173.6189 191.2497 313.6340 346.6970 258.1355 PI(15:0_20:1) 24.7055 49.5552 41.4954 65.7695 79.8910 44.9512 PI(15:0_20:2) 80.7881 82.4162 80.3249 103.9205 134.7596 90.5699 PI(15:0_20:3) 65.1517 18.9786 59.4613 31.3634 12.9635 65.2015 PI(15:0_22:4) 204.3156 246.0186 135.6134 177.1798 144.4068 216.5223 PI(15:1_16:1) 44.6159 34.9698 37.9022 64.8333 59.3907 105.2570 PI(15:1_18:1) 507.6618 479.7363 431.1812 802.8095 723.5415 660.9158 PI(15:1_20:4) 27.2073 19.5058 21.7909 19.9883 10.1899 32.9345 PI(15:1_22:4) 19.2849 13.4432 24.2250 21.5799 17.9981 19.2489 PI(16:0_16:0) 23.9237 25.3048 10.6636 23.0544 47.6332 38.8316 PI(16:0_16:1) 113.6245 100.1647 122.8634 259.8013 269.5192 293.7404 PI(16:0_17:0) 47.1177 101.2191 52.9704 115.1552 99.7884 89.9024 PI(16:0_18:0) 79.8499 46.2164 71.6317 93.3880 82.3029 145.0899 PI(16:0_18:1) 1094.5481 964.7444 934.2258 2031.5995 1700.3226 1940.4667 PI(16:0_18:3) 26.7904 38.8358 12.0545 39.7894 29.4542 25.1460 PI(16:0_19:0) 1428.1247 1418.1216 1072.1575 1455.8236 1751.5735 1321.8317 PI(16:0_20:3) 346.0857 223.1740 328.0222 554.7109 443.1692 391.6538 PI(16:0_20:4) 1104.9724 999.8899 907.5668 1352.8393 1477.2306 994.7117 PI(16:0_22:4) 249.1400 196.8149 208.6360 381.5100 313.5347 275.9379 PI(16:0_22:6) 69.9468 50.2581 49.7249 111.4103 88.6338 81.8913 PI(16:1_18:1) 601.4803 548.2701 630.5445 1144.5301 934.5745 996.9370 PI(17:0_18:0) 63.1711 91.0269 64.2135 169.4560 136.2670 117.7187 PI(17:0_18:1) 145.9397 251.2904 330.3404 435.3427 245.7026 224.7559 PI(17:0_20:3) 85.1663 89.4453 84.1499 135.0499 113.3548 128.1776 PI(17:0_20.4) 541.0195 567.6001 410.3176 606.2031 645.1579 458.4130 PI(17:1_18:1) 33.8789 76.2658 43.8136 123.3471 88.3324 107.4823 PI(18:0_13:1) 65.1517 75.7386 50.5363 117.0276 155.8629 102.1415 PI(18:0_14:1) 93.9227 126.1724 79.8612 191.2231 230.0259 158.4418 PI(18:0_17:1) 112.5821 101.5705 81.3681 117.9638 139.2817 157.5517 PI(18:0_18:2) 143.8549 94.1900 176.1815 157.5192 142.2965 92.7953 PI(18:0_18:4) 39.1952 29.8737 17.1545 95.0264 26.2887 90.3474 PI(18:0_19:2) 101.3239 119.1433 89.7135 220.4800 201.3857 135.2986 PI(18:0_20:3) 6306.6820 6343.7658 6085.2180 7583.3898 7084.6776 7543.7869 PI(18:0_20:5) 69.5299 84.7007 65.2567 120.7725 156.1644 112.8230 PI(18:0_22:3) 389.8676 224.9313 347.7267 606.2031 458.2430 554.1012 PI(18:0_22:5) 201.1884 209.1158 239.9315 386.1911 277.0561 418.3575 PI(18:0_22:6) 465.9648 412.9598 372.0676 582.7976 657.2169 578.5795 PI(18:1_17:2) 90.8996 172.3888 89.3658 245.7580 288.8137 177.5794 PI(18:1_18:2) 482.6436 534.2119 445.0902 526.6243 437.1397 522.9469 PI(18:1_18:3) 14.4897 12.0901 23.1818 34.8742 32.5594 20.3838 PI(18:1_19:2) 74.8462 106.3152 80.3249 195.6702 123.3035 134.6310 PI(18:1_20:3) 849.5778 702.9103 1228.6345 1949.6802 1052.1500 1277.3256 PI(18:1_20:4) 7411.6544 6747.9392 6745.8988 7700.4175 7235.4154 6920.7013 PI(18:1_20:5) 77.4523 86.6337 63.5181 74.1955 91.9501 98.3585 PI(18:1_22:5) 26.6861 20.3844 22.7181 50.7900 29.9064 55.1876 PI(18:1_22:6) 477.4315 441.0762 399.8858 755.9984 771.7776 663.1412 PI(18:2_16:0) 117.7942 131.6200 105.8248 162.6684 165.2087 172.6837 PI(18:2_20:4) 130.3033 107.8967 103.9703 132.4753 83.8102 103.0317 PI(19:0_15:1) 87.9808 83.4706 76.2681 123.1131 138.0758 172.2387 PI(19:0_16:1) 170.9580 186.2712 158.7952 223.0546 172.1426 192.0439 PI(19:0_17:2) 283.5401 226.6886 248.0451 330.0179 316.5494 362.7249 PI(19:0_18:1) 1407.2762 1277.5395 982.9076 1310.7094 1296.3453 1281.7762 PI(19:0_20:4) 126.1336 126.1724 132.1362 111.8784 173.9514 208.9562 PI(19:1_20:4) 301.2613 251.2904 274.7041 346.4018 397.9478 269.2620 PI(20:1_20:3) 41.0716 39.1873 78.4703 76.7701 104.6120 123.2819 PI(20:3_18:0) 2970.9163 2214.1676 2804.9957 5242.8374 3858.8882 4094.5628 PI(20:4_16:1) 39.7165 37.6057 22.2545 45.6408 14.4407 38.2753 PI(20:4_18:1) 3533.8268 3444.2606 3117.9498 3885.3170 3557.4126 3382.4649 PI(20:4_20:1) 290.8371 286.4360 299.0450 341.7207 253.2395 226.9812 PI(21:1_20:4) 51.9129 42.8775 50.7681 102.7503 81.0969 55.1876 PMeOH(14:0_16:0) 5.3164 14.1461 7.0704 10.5091 12.3002 9.6912 PMeOH(15:0_16:0) 7.6618 8.6722 7.9977 15.5647 18.3900 17.1349 PMeOH(16:0_20:4) 3.7892 3.6551 3.8945 3.1714 0.9979 2.5702 PMeOH(16:0_22:4) 6.9321 7.5036 6.2591 5.4769 7.4464 10.2475 PMeOH(16:0_22:5) 2.5904 4.7534 3.2223 3.8151 2.1103 5.0514 PMeOH(18:1_18:1) 1.6992 1.9901 1.6749 1.5506 0.7062 1.4019 PS(15:0_18:0) 46.2837 112.4657 60.2726 136.2202 122.3991 69.8746 PS(15:0_18:1) 72.3444 88.2152 89.4817 128.2623 68.7364 270.5972 PS(16:0_16:0) 237.6733 286.4360 232.9769 409.5967 416.0364 476.2155 PS(16:0_16:1) 96.3202 74.8600 64.2135 234.0552 129.6345 189.5961 PS(16:0_17:0) 220.9945 202.0867 266.5905 316.9108 481.1551 437.0501 PS(16:0_19:0) 169.4986 274.8379 245.7269 192.3934 274.3428 265.7015 PS(16:0_20:0) 28354.0085 30928.0547 24804.5076 40163.8795 36719.7332 35560.3879 PS(16:0_21:1) 199.5205 210.1702 202.6088 239.6726 317.7553 444.6161 PS(16:0_22:6) 97.9881 196.1120 112.8953 146.9867 279.1664 280.8336 PS(16:1_18:1) 959.0326 780.2305 669.9535 1254.5361 964.7221 1473.1525 PS(17:0_16:1) 23.9758 62.5590 11.0345 13.2007 44.7993 PS(17:0_17:0) 82.9772 192.9489 66.2999 157.7532 164.0027 240.7781 PS(17:0_20:4) 68.8002 135.6617 73.4863 114.6871 116.3696 104.1443 PS(18:0_16:1) 1448.9732 1831.0814 1720.0883 2265.6547 2586.6610 2941.8544 PS(18:0_17:1) 1534.4522 1722.1303 1465.0887 1984.7885 1555.6143 2069.5345 PS(18:0_18:0) 125.0912 143.7452 94.2339 144.4121 88.0309 125.0622 PS(18:0_18:2) 2439.2787 2600.7682 2183.7239 2509.0722 2224.8902 2643.6634 PS(18:0_18:3) 73.1784 153.2345 88.5544 102.5162 64.5158 120.1665 PS(18:0_19:0) 96.7372 124.7666 97.3635 165.7111 156.1644 153.5461 PS(18:0_19:1) 665.0683 829.4342 702.4080 786.4256 663.2464 1028.0913 PS(18:0_20:1) 1888.8773 1989.2362 1650.5429 2321.8280 2068.1229 2510.1450 PS(18:0_20:3) 144.6888 330.0164 238.7724 391.3404 346.0940 401.4452 PS(18:0_20:4) 1540.7068 2056.0127 1599.5430 1385.6070 1422.9650 1620.0227 PS(18:0_20:5) 510.7891 506.0954 391.7721 256.5245 372.0209 303.5317 PS(18:0_22:5) 865.2142 1107.0838 950.4531 1643.0678 1453.1126 1473.1525 PS(18:0_22:6) 3148.1289 3430.2024 2804.9957 5242.8374 5951.1292 6141.8442 PS(18:0_23:0) 1146.6695 1356.6169 1045.4984 1053.2486 988.8401 1179.4121 PS(18:1_19:1) 529.5528 569.3574 611.9991 543.0082 850.1613 956.8815 PS(18:1_20:0) 6817.4712 6431.6296 6351.8085 8894.0992 9647.2205 11482.5783 PS(18:1_20:1) 1688.7314 1521.8009 1400.1797 2008.1940 2333.4215 2381.0773 PS(18:1_20:2) 1067.4450 1855.6833 1235.5890 2186.0760 1471.2011 2363.2748 PS(18:1_20:4) 208.4854 242.5041 106.6362 152.1359 229.7244 322.6694 PS(18:1_22:0) 212.6551 289.5991 204.2315 323.9325 255.6513 428.5939 PS(18:1_22:4) 7276.1390 15393.7363 8090.4422 17132.8437 25323.9539 18959.6061 PS(18:1_22:5) 74.2208 184.1625 80.9044 79.1107 185.1060 162.0023 PS(18:1_22:6) 318.9826 470.9499 361.6358 543.0082 539.0384 614.1844 PS(18:2_18:1) 179.7144 264.2943 266.5905 233.1190 321.3730 271.4873 PS(18:2_20:2) 85.4790 78.0230 76.0362 80.0469 126.0168 174.0189 PS(19:0_18:1) 327.3220 320.5271 234.1360 447.5136 298.4609 384.5329 PS(19:0_20:1) 36.4849 44.6348 40.5681 85.6642 52.3362 89.9024 PS(19:0_20:3) 23.1419 44.6348 42.1908 41.6618 50.3464 36.0945 PS(19:1_20:4) 134.2646 257.2652 186.8452 237.8001 121.7962 182.9201 PS(20:0_18:1) 6650.6829 6677.6482 6212.7178 9596.2649 8561.9082 10814.9866 PS(20:0_21:0) 633.7955 671.2794 630.5445 753.6579 747.6596 1112.6529 PS(20:1_20:4) 564.9953 903.2398 632.8627 772.3823 729.5711 698.7460 PS(20:1_22:5) 197.6441 184.5140 145.5816 334.6990 314.7406 260.8058 PS(20:1_22:6) 96.9457 172.2130 72.7908 111.4103 89.2368 111.2653 PS(20:3_20:3) 33.1492 50.7853 44.2772 30.6612 37.0815 39.6104 PS(21:2_20:4) 329.4069 488.5227 428.8630 352.9553 384.6829 502.9191 PS(22:2_20:4) 69.4256 83.6463 84.8453 70.2166 106.7224 74.3252 PS(22:4_18:0) 71.9274 101.5705 82.5271 116.5595 149.5319 137.9690 Taurochenodeoxycholic acid 277.2855 495.5518 312.9541 608.5436 693.3940 663.1412 Taurocholic acid 30.0219 112.8171 76.9635 221.8844 258.6661 90.3474 taurolithocholicacid-3-sulfate 40.4462 40.0659 37.5545 60.3863 107.3253 60.0833 Ursocholic acid 656.7289 941.8998 734.8625 1212.4062 1784.7358 1219.4676 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 11(S)-HETE 5283152 12-Oxochenodeoxycholic acid 94235 6,7-diketolithocholic acid 137333800 CerP(d18:1/16:0) 5283581 CerP(d18:1/18:1) CerP(d18:1/24:0) 5283587 FFA(10:0) 2969 FFA(15:0) 13849 FFA(16:0) 985 FFA(17:0) 10465 FFA(18:0) 5281 FFA(18:1) 445639 FFA(18:2) 5280450 FFA(19:0) 12591 FFA(19:1) 52921828 FFA(20:1) 5282768 FFA(20:2) 6439848 FFA(20:3) 5280581 FFA(20:4) 5497181 FFA(20:5) 5282846 FFA(21:2) 52921833 FFA(22:1) 5281116 FFA(22:2) 11954058 FFA(22:3) 5312557 FFA(22:4) 5282938 FFA(22:5) 5497182 FFA(22:6) 445580 FFA(24:1) 5280877 FFA(24:5) 14505435 FFA(24:6) 11792612 FFA(28:0) 10470 FFA(29:0) 20245 FFA(30:0) 10471 FFA(32:1) 5282778 Glycocholic acid 23617285 lithocholicacid-3-sulfate 10253562 LNAPE(16:0/N-16:0) LNAPE(16:1/N-16:0) LNAPE(18:1/N-17:0) LNAPE(18:1/N-18:2) LNAPE(18:2/N-18:2) LNAPE(20:4/N-18:2) LNAPE(20:4/N-22:4) LNAPE(20:5/N-18:1) LNAPE(22:5/N-20:2) LNAPE(22:6/N-20:1) LNAPE(24:5/N-18:0) LPA(16:0) 56960317 LPA(18:0) 76041074 LPG(15:0) 52927457 LPG(16:0) 42607483 LPG(22:6) 52927439 LPI(16:0) 42607493 LPI(18:1) 42607496 LPI(20:1) 52928614 LPI(20:4) 42607497 LPS(18:0) 42607474 LPS(18:1) 9547099 LPS(20:0) 52926280 LPS(22:0) 52926293 LPS(24:0) PA(16:0_16:1) PA(16:0_18:1) 9547158 PA(16:0_20:0) 52929455 PA(16:0_20:1) 52929125 PA(16:0_20:2) 52929155 PA(16:0_22:5) PA(16:1_22:4) 138126825 PA(16:1_22:5) PA(17:1_16:0) 52928845 PA(18:0_18:0) PA(18:0_20:3) 52929191 PA(18:0_22:4) 52929390 PA(18:0_22:5) PA(18:0_22:6) 138259995 PA(18:1_18:1) 14057128 PA(18:1_20:1) 52929131 PA(18:1_20:2) 52928925 PA(18:1_20:5) 52929449 PA(18:1_22:6) PA(19:0_20:4) 52929063 PA(20:0_16:1) 52929105 PA(20:0_18:2) 52928947 PA(20:0_20:3) 52929113 PA(20:0_22:4) 52929118 PA(20:1_20:3) 52929200 PA(20:1_20:5) 52929142 PA(20:3_22:5) PA(20:4_22:5) PA(21:0_24:1) PA(22:0_18:1) 52929535 PA(24:1_20:2) PA(25:0_20:1) PC(10:0_18:0) 24778529 PC(10:0_22:0) 24778536 PC(12:0_16:0) 24778570 PC(13:0_16:0) 52922166 PC(13:0_16:1) 52922430 PC(13:0_18:0) 52922174 PC(13:0_18:1) 52922176 PC(13:1_18:2) PC(14:0_14:0) 5459377 PC(14:0_15:0) 24778611 PC(14:0_15:1) 52922348 PC(14:0_16:1) 24778615 PC(14:0_17:0) 52922214 PC(14:0_17:1) 52922216 PC(14:0_18:1) 24778618 PC(14:0_18:2) 24778624 PC(14:0_18:3) 24778625 PC(14:0_20:4) 24778634 PC(14:0_20:5) 24778635 PC(14:0_22:6) 24778639 PC(14:1_16:1) 52922252 PC(14:1_18:1) 52922262 PC(14:1_18:2) 52922264 PC(14:1_22:6) 52922298 PC(15:0_16:0) 24778655 PC(15:0_16:1) 24778657 PC(15:0_17:0) 24778659 PC(15:0_18:0) 11787533 PC(15:0_20:3) 52922328 PC(15:0_20:4) 52922330 PC(15:1_16:1) 52922358 PC(15:1_17:1) 52922362 PC(15:1_18:2) 52922370 PC(15:1_19:1) 52922380 PC(15:1_20:1) 52922384 PC(15:1_20:4) 52922390 PC(15:1_22:4) 52922402 PC(16:0_14:0) 24778679 PC(16:0_16:0) 452110 PC(16:0_16:1) 6443788 PC(16:0_16:2) PC(16:0_17:0) 24778682 PC(16:0_17:1) 52922533 PC(16:0_18:0) 24778686 PC(16:0_18:1) 5497103 PC(16:0_18:2) 5287971 PC(16:0_18:3) 24778699 PC(16:0_19:0) 52922414 PC(16:0_20:1) 52922418 PC(16:0_20:2) 52922420 PC(16:0_20:3) 24778715 PC(16:0_20:4) 7983442 PC(16:0_20:5) 24778723 PC(16:0_22:0) 7983123 PC(16:0_22:1) 24778728 PC(16:0_22:5) 24778735 PC(16:0_22:6) 6441886 PC(16:0_24:0) 24778743 PC(16:0_24:6) PC(16:0_26:0) 24778749 PC(16:1_16:1) 24778764 PC(16:1_16:2) PC(16:1_17:1) 52922444 PC(16:1_18:1) 24778766 PC(16:1_18:2) 24778768 PC(16:1_18:3) 52922835 PC(16:1_20:3) 52922463 PC(16:1_22:5) 53479349 PC(16:1_22:6) 24778773 PC(16:2_18:2) 24778776 PC(17:0_15:1) 52922360 PC(17:0_16:1) 52922485 PC(17:0_18:0) 24778785 PC(17:0_18:1) 24778787 PC(17:0_18:2) 52922491 PC(17:0_20:3) 52922507 PC(17:0_20:5) 52922509 PC(17:1_18:1) 52922543 PC(17:1_18:2) 52922545 PC(17:1_20:4) 52922565 PC(18:0_14:0) 3082163 PC(18:0_15:1) 52922366 PC(18:0_18:0) 94190 PC(18:0_18:1) 24778815 PC(18:0_18:2) 6441487 PC(18:0_20:2) 24778847 PC(18:0_20:3) 24778855 PC(18:0_20:4) 16219824 PC(18:0_22:1) 24778866 PC(18:0_22:3) 24778867 PC(18:0_22:4) 24778868 PC(18:0_22:5) 53479285 PC(18:0_22:6) 24778876 PC(18:0_24:3) 52923143 PC(18:1_16:2) PC(18:1_17:2) 52922603 PC(18:1_18:1) 10350317 PC(18:1_18:2) 53478723 PC(18:1_19:1) 52922691 PC(18:1_19:2) PC(18:1_20:0) 53478731 PC(18:1_20:1) 53478733 PC(18:1_20:4) 24778948 PC(18:1_20:5) 24778898 PC(18:1_22:0) 24779108 PC(18:1_22:5) PC(18:1_22:6) 24778901 PC(18:1_24:1) 53478755 PC(18:2_18:2) 5288075 PC(18:2_19:2) PC(18:2_20:0) 52922739 PC(18:2_20:3) 53478787 PC(18:2_20:4) 24778979 PC(18:2_20:5) 52922747 PC(18:2_22:1) 52922753 PC(18:2_22:6) 24778983 PC(18:3_18:1) 53478725 PC(19:0_18:1) 52922955 PC(19:0_18:2) 52922957 PC(19:0_20:4) 52922975 PC(19:1_18:2) 52923017 PC(19:1_22:6) 52923051 PC(20:0_20:3) 24779047 PC(20:0_22:6) 52923707 PC(20:1_18:2) 52923115 PC(20:1_20:3) 53478897 PC(20:1_20:4) 52923133 PC(20:1_22:6) 52923147 PC(20:2_18:1) 52923173 PC(20:2_20:4) 52923195 PC(20:2_22:6) 10854909 PC(20:3_18:1) 52923233 PC(20:3_20:4) 53478979 PC(20:3_22:1) 52923263 PC(20:4_16:1) 52923283 PC(20:4_17:0) 52923285 PC(20:4_20:4) 24779072 PC(20:4_20:5) 52923315 PC(20:4_22:5) 53479041 PC(20:5_18:0) 52923351 PC(22:4_16:0) 52923621 PC(22:4_18:1) 53479251 PC(22:6_17:0) 52923685 PC(24:0_16:1) 53479175 PC(24:0_18:1) 24779051 PC(24:0_18:2) 53478795 PC(24:1_20:4) 53479207 PE(14:0_18:1) 53479551 PE(14:0_18:3) 52924117 PE(14:0_20:2) 52924121 PE(14:0_22:3) PE(14:0_22:4) 52924126 PE(14:0_22:6) 52924936 PE(15:0_18:1) 52924245 PE(15:0_18:2) 52924358 PE(15:0_22:4) 52924175 PE(15:1_20:2) 52924198 PE(15:1_22:3) PE(15:1_22:4) 52924206 PE(16:0_14:0) 446670 PE(16:0_16:0) 445468 PE(16:0_17:1) 52924268 PE(16:0_18:3) 52924386 PE(16:0_19:1) 52924212 PE(16:0_19:2) PE(16:0_20:3) 53479587 PE(16:0_20:4) 9546800 PE(16:0_20:5) 52924919 PE(16:0_22:5) 52924902 PE(16:1_14:0) 52924219 PE(16:1_16:0) 52924223 PE(16:1_16:1) 9546809 PE(16:1_17:1) 52924225 PE(16:1_18:0) 52924227 PE(16:1_18:2) 52924917 PE(16:1_20:4) 52924915 PE(16:1_22:4) 52924241 PE(16:1_22:6) 52924914 PE(17:0_18:1) 52924910 PE(17:0_18:2) 42627790 PE(17:0_20:3) 52924255 PE(17:0_20:4) 5283493 PE(17:0_20:5) 52924256 PE(17:0_22:3) PE(17:0_22:5) PE(17:0_22:6) 52924909 PE(17:1_18:1) 52924273 PE(17:1_18:2) 52924274 PE(17:1_22:6) 52924291 PE(17:2_20:3) 52924313 PE(18:0_14:0) 447790 PE(18:0_16:2) PE(18:0_18:2) 9546749 PE(18:0_18:3) 52924329 PE(18:0_20:5) 52924674 PE(18:0_22:1) 52924334 PE(18:0_22:5) 53479897 PE(18:0_24:3) 53479843 PE(18:0_24:5) 52924823 PE(18:1_16:1) 53479622 PE(18:1_18:1) 53479624 PE(18:1_18:2) 9546753 PE(18:1_19:2) PE(18:1_20:2) 52924348 PE(18:1_20:3) 53479633 PE(18:1_20:4) 53479635 PE(18:1_22:2) 52924352 PE(18:1_22:5) PE(18:1_24:1) 53479865 PE(18:2_16:0) 52924895 PE(18:2_18:2) 9546812 PE(18:2_19:1) 52924369 PE(18:2_20:2) 52924372 PE(18:2_22:5) PE(18:3_16:0) 9546752 PE(18:3_18:1) 53479673 PE(19:0_18:2) 52924477 PE(19:0_20:4) 52924486 PE(19:0_22:6) 52924493 PE(19:1_20:4) 52924517 PE(19:2_22:5) PE(20:1_20:4) 52924564 PE(20:1_20:5) 52924565 PE(20:2_16:0) 52924578 PE(20:2_20:4) 52924595 PE(20:2_20:5) 52924596 PE(20:2_22:5) PE(20:2_22:6) 52924602 PE(20:3_18:0) 52924614 PE(20:3_20:4) 52924626 PE(20:3_22:6) 52924633 PE(20:4_14:0) 52924636 PE(20:4_18:0) 52924644 PE(20:4_20:4) 52924874 PE(20:4_22:6) 52924662 PE(20:5_16:1) 52924670 PE(20:5_18:1) 53479832 PE(20:5_18:2) 52924675 PE(22:0_18:1) 9546853 PE(22:1_18:0) 53479857 PE(22:2_22:5) PE(22:3_20:4) PE(22:5_22:6) PE(22:6_16:0) 52924862 PE(22:6_18:0) 9546798 PE(22:6_18:1) 53479975 PE(22:6_18:2) 52924845 PE(22:6_20:1) 52924852 PE(24:0_16:1) PE(24:0_18:1) 9546993 PE(24:0_20:4) PE(O-14:1_22:6) PE(O-15:1_20:4) PE(O-15:1_22:6) PE(O-16:0_20:5) 52925030 PE(O-16:1_16:1) PE(O-16:1_20:3) PE(O-16:1_20:4) PE(O-16:1_20:5) PE(O-16:1_22:5) PE(O-16:1_22:6) PE(O-16:2_20:4) PE(O-16:2_20:5) PE(O-16:2_22:6) PE(O-17:1_18:1) PE(O-17:1_20:5) PE(O-17:1_22:5) PE(O-18:0_20:5) 9547048 PE(O-18:1_16:0) PE(O-18:1_18:0) PE(O-18:1_20:3) PE(O-18:1_22:1) PE(O-18:1_22:5) PE(O-18:2_20:4) PE(O-18:2_22:5) PE(O-18:2_22:6) PE(O-18:2_24:1) PE(O-18:3_20:4) PE(O-19:1_20:4) PE(O-20:1_20:1) PE(O-20:1_20:5) PE(O-20:1_22:5) PE(O-20:5_16:0) PE(O-22:1_18:1) PE(O-22:1_18:2) PE(O-22:1_20:3) PE(O-24:1_18:2) PE(O-24:1_20:4) PE(O-24:2_18:1) PG(12:0_17:1) 52926316 PG(14:0_16:0) PG(14:0_16:1) 52926468 PG(14:0_18:2) 52926607 PG(15:0_16:1) 52926470 PG(15:0_18:2) 52926609 PG(15:0_22:0) 52926421 PG(16:0_15:1) 52926432 PG(16:0_16:0) 446440 PG(16:0_16:2) PG(16:0_17:2) 52926460 PG(16:0_18:1) 5283509 PG(16:0_18:3) 52926637 PG(16:0_20:0) 52927129 PG(16:0_20:1) 52926799 PG(16:0_20:2) 52926462 PG(16:0_20:5) 52926919 PG(16:0_22:0) 52926970 PG(16:0_22:1) 52926464 PG(16:0_22:2) 52926465 PG(16:0_22:3) PG(16:0_22:6) 52926307 PG(16:0_24:0) PG(16:1_16:1) 52927230 PG(16:1_16:2) PG(16:1_17:1) 52926474 PG(16:1_18:2) 52927166 PG(16:1_20:3) 52926484 PG(16:1_20:5) 52926485 PG(17:0_18:0) 52926577 PG(17:0_19:0) 52926502 PG(17:1_18:2) 52926525 PG(18:0_16:1) 52926476 PG(18:0_18:2) 52927245 PG(18:0_19:0) 52926582 PG(18:0_20:4) 24779553 PG(18:0_22:0) 52927112 PG(18:0_22:6) 52926846 PG(18:1_14:0) PG(18:1_16:1) 52927146 PG(18:1_18:1) PG(18:1_18:3) 52926595 PG(18:1_19:1) 52926757 PG(18:1_20:2) 52926622 PG(18:1_21:1) PG(18:1_22:6) 52926308 PG(18:2_16:0) 52927142 PG(18:2_16:1) 52926611 PG(18:2_18:1) 52926615 PG(18:2_18:2) 52927219 PG(18:2_21:2) PG(18:2_22:2) 52926629 PG(18:2_22:5) PG(19:0_15:1) 52926443 PG(19:0_20:1) 52926734 PG(19:0_20:3) 52926736 PG(19:0_20:4) 52926737 PG(19:0_22:6) 52926744 PG(19:2_20:3) PG(19:2_20:4) PG(20:0_20:4) 52926903 PG(20:0_22:6) 52927100 PG(20:1_18:1) 52926805 PG(20:1_22:1) 52926819 PG(20:2_22:6) 52926853 PG(20:4_22:6) 52927104 PG(21:0_18:2) 52926626 PG(21:0_20:4) 52926908 PG(21:1_18:2) PG(21:1_20:4) PG(22:0_16:1) 52926487 PG(22:0_17:1) 52926538 PG(22:0_18:1) 52927209 PG(22:0_20:1) 52926818 PG(22:0_20:2) 52926849 PG(22:0_20:3) 52926880 PG(22:0_20:4) 52926909 PG(22:0_20:5) 52926938 PG(22:0_22:4) 52926989 PG(22:0_22:6) 52927107 PG(22:1_18:2) 52926628 PG(22:1_20:5) 52926939 PG(22:5_22:6) PG(22:6_22:6) 52927240 PG(24:0_18:1) PG(24:0_18:2) PG(24:0_20:4) PGE2 5280360 PI(10:0_16:0) 70698913 PI(12:0_18:0) 52928313 PI(12:0_18:1) 52927743 PI(13:0_18:1) 52927498 PI(13:1_18:1) PI(14:0_19:0) 52927521 PI(14:1_18:1) 52927541 PI(14:1_24:2) PI(15:0_17:1) 52927564 PI(15:0_19:0) 52928292 PI(15:0_19:1) 52927570 PI(15:0_19:2) PI(15:0_20:1) 52927572 PI(15:0_20:2) 52927573 PI(15:0_20:3) 52927574 PI(15:0_22:4) 52927580 PI(15:1_16:1) 52927589 PI(15:1_18:1) 52927594 PI(15:1_20:4) 52927605 PI(15:1_22:4) 52927611 PI(16:0_16:0) 24779556 PI(16:0_16:1) 52928334 PI(16:0_17:0) 52927650 PI(16:0_18:0) 52928331 PI(16:0_18:1) 53480051 PI(16:0_18:3) 52927793 PI(16:0_19:0) 52928378 PI(16:0_20:3) 52928328 PI(16:0_20:4) 52928411 PI(16:0_22:4) 52928215 PI(16:0_22:6) 52927464 PI(16:1_18:1) 52928326 PI(17:0_18:0) 52927733 PI(17:0_18:1) 52927748 PI(17:0_20:3) 52927662 PI(17:0_20.4) 9547141 PI(17:1_18:1) 52927680 PI(18:0_13:1) PI(18:0_14:1) 52927540 PI(18:0_17:1) 52927734 PI(18:0_18:2) 52928409 PI(18:0_18:4) 52927857 PI(18:0_19:2) PI(18:0_20:3) 52928021 PI(18:0_20:5) 52928081 PI(18:0_22:3) PI(18:0_22:5) PI(18:0_22:6) 52927465 PI(18:1_17:2) PI(18:1_18:2) 52928384 PI(18:1_18:3) 52927751 PI(18:1_19:2) PI(18:1_20:3) 52927756 PI(18:1_20:4) 52928052 PI(18:1_20:5) 52928279 PI(18:1_22:5) PI(18:1_22:6) 52927466 PI(18:2_16:0) 52928300 PI(18:2_20:4) 52928298 PI(19:0_15:1) 52927599 PI(19:0_16:1) 52927635 PI(19:0_17:2) 52927715 PI(19:0_18:1) 52927753 PI(19:0_20:4) 52927924 PI(19:1_20:4) 52927924 PI(20:1_20:3) 52927970 PI(20:3_18:0) 53480094 PI(20:4_16:1) 52928047 PI(20:4_18:1) 53480102 PI(20:4_20:1) 52928060 PI(21:1_20:4) PMeOH(14:0_16:0) PMeOH(15:0_16:0) PMeOH(16:0_20:4) PMeOH(16:0_22:4) PMeOH(16:0_22:5) PMeOH(18:1_18:1) PS(15:0_18:0) 52925420 PS(15:0_18:1) 52925255 PS(16:0_16:0) 9547090 PS(16:0_16:1) 52926017 PS(16:0_17:0) 52925339 PS(16:0_19:0) 52926060 PS(16:0_20:0) 9547095 PS(16:0_21:1) PS(16:0_22:6) 46891805 PS(16:1_18:1) 52926009 PS(17:0_16:1) 52925340 PS(17:0_17:0) 46891783 PS(17:0_20:4) 5283501 PS(18:0_16:1) 52925996 PS(18:0_17:1) 52925423 PS(18:0_18:0) 9547096 PS(18:0_18:2) 9547091 PS(18:0_18:3) 52925425 PS(18:0_19:0) 52925427 PS(18:0_19:1) 52925428 PS(18:0_20:1) 52925649 PS(18:0_20:3) 52925994 PS(18:0_20:4) 24779545 PS(18:0_20:5) 52925993 PS(18:0_22:5) 53480355 PS(18:0_22:6) 24779546 PS(18:0_23:0) PS(18:1_19:1) 52925443 PS(18:1_20:0) 131819724 PS(18:1_20:1) 52926063 PS(18:1_20:2) 52925444 PS(18:1_20:4) 52925741 PS(18:1_22:0) 131819737 PS(18:1_22:4) 52925449 PS(18:1_22:5) PS(18:1_22:6) 52925155 PS(18:2_18:1) 52925460 PS(18:2_20:2) 52925468 PS(19:0_18:1) 52925442 PS(19:0_20:1) 52925579 PS(19:0_20:3) 52925581 PS(19:1_20:4) 52925613 PS(20:0_18:1) 52926058 PS(20:0_21:0) 52925634 PS(20:1_20:4) 52925660 PS(20:1_22:5) PS(20:1_22:6) 52925667 PS(20:3_20:3) 52925721 PS(21:2_20:4) PS(22:2_20:4) 52925756 PS(22:4_18:0) 52925908 Taurochenodeoxycholic acid 387316 Taurocholic acid 6675 taurolithocholicacid-3-sulfate 440071 Ursocholic acid 122340 METABOLITES_END #END