#METABOLOMICS WORKBENCH shengyuyang_20241220_121053 DATATRACK_ID:5486 STUDY_ID:ST003694 ANALYSIS_ID:AN006061 PROJECT_ID:PR002249 VERSION 1 CREATED_ON January 10, 2025, 9:09 am #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 #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 #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]Raw file names and additional sample data 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 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 #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 hours. TR:TREATMENT_SUMMARY The lipids were extracted, and targeted metabolomics screening were carried out TR:TREATMENT_SUMMARY 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 SP:SAMPLEPREP_SUMMARY used for protein assay. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase 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: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 CH:SOLVENT_B ammonium formate 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:COLUMN_TEMPERATURE 45°C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metware Bio #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ Qtrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE POSITIVE 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_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg protein MS_METABOLITE_DATA_START Samples con-1 con-2 con-3 F-1 F-2 F-3 Factors 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 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 DL-Carnitine 0.56173258 0.437742632 0.218970098 0.344000839 0.290653423 0.261954146 Carnitine C2:0 1.863079725 0.922515465 0.738801552 0.494110296 0.351455167 0.421908448 Carnitine C3:0 1.989469555 1.742529211 1.277325574 0.608777242 0.970016261 0.602726354 Carnitine C4:0 0.557051475 0.457640025 0.391208773 0.148650059 0.17818777 0.180817906 Carnitine C4-OH 0.617905838 0.729571054 0.58303014 0.237673307 0.35848427 0.287454107 Carnitine C5-OH 0.399298242 0.645157874 0.462863623 0.180339834 0.303305809 0.195190612 Carnitine C8:0 0.514921532 0.585465697 0.520721575 0.192431984 0.48500813 0.250363255 Carnitine C6-2OH 27.993006916 33.524091393 24.122315718 11.758574126 19.716634861 12.471799173 Carnitine C12-OH 0.870685499 1.121489388 0.823363175 0.350255399 0.65370661 0.398726665 Carnitine C14:0 0.631949153 0.681334951 0.467314234 1.12790578 0.73805585 1.064043833 Carnitine C16:0 7.39614564 7.657481307 7.165484927 8.83977913 9.805599155 8.971349963 Carnitine C18:0 3.220600127 3.255936934 2.835039689 4.795163207 6.080174387 4.265448044 Carnitine C3:1-2OH 0.56173258 0.537832545 0.476215458 0.207651415 0.456891717 0.219995119 Carnitine C4:1-2OH 0.410532894 0.511302689 0.29908111 0.179922863 0.309632002 0.168067926 Carnitine C5:1 0.70684683 0.801925208 1.001387645 0.246012721 0.523668199 0.308317712 Carnitine C12:1 0.528964846 0.555921084 0.520721575 0.227249039 0.40065889 0.248045076 Carnitine C12:1-OH 0.315506466 0.384682919 0.222530588 0.146148235 0.254453541 0.142336147 Carnitine C16:1 0.734933459 1.115459875 0.899023575 1.346815405 1.360131496 1.733997357 Carnitine C18:1 4.12405336 4.77537417 4.050056698 7.046805061 8.048323321 7.81226082 Carnitine C22:1 0.380105713 0.322578937 0.376521755 0.277285525 0.262185554 0.21350422 Carnitine C18:2 N/A N/A N/A 0.266861257 0.425260752 0.301363177 Cholesterol 79578.782203275 85166.868870651 69540.808688395 53684.979385747 61943.973159418 61141.952264483 SPH(d18:0) 10.719730073 10.97371337 10.94850492 4.857708814 4.850081303 5.563627884 SPH(d18:1) 214.394601465 200.782777585 206.063324305 87.355364515 101.570543223 86.236232199 SPH(d18:2) 19.988317648 20.138572887 19.315655021 11.028875377 12.652386007 10.594074762 Cer(d18:0/16:0) 50.672959844 35.8756014 43.05966874 116.751799829 63.437657619 81.715784543 Cer(d18:0/24:0) 895.261299787 587.877501939 1025.866009771 1610.549381572 737.177212493 1280.793502412 Cer(d18:1/14:0) 382.680320301 272.835456028 378.301999265 672.365275802 372.542476874 474.067459264 Cer(d18:1/16:0) 11328.273701878 8697.572272277 11905.386447453 16939.435243076 10455.791214143 11532.936967424 Cer(d18:1/17:0) 399.064187225 307.50515486 412.794240374 912.123436166 487.644044021 576.646848371 Cer(d18:1/18:0) 1813.928123751 1254.138670803 1791.371231813 3252.371566671 1748.489455138 1947.269759324 Cer(d18:1/19:0) 30.076098568 26.982069961 50.18064755 56.812259738 32.24601156 41.843118043 Cer(d18:1/20:0) 388.531701345 278.864968869 397.217099228 724.486615012 362.877459785 443.93114156 Cer(d18:1/21:0) 50.555932223 43.26175463 71.988645154 133.951841768 45.07412515 71.283982261 Cer(d18:1/22:0) 5465.189895431 3361.453408523 5674.529988973 12926.092123947 5851.728528251 8229.532911428 Cer(d18:1/23:0) 1872.441934195 1318.955933838 2002.775290226 4185.34353852 2047.226346971 3106.358901778 Cer(d18:1/24:0) 31363.402397761 22309.19750948 36495.01639967 66194.100796018 30049.416766696 50014.696496918 Cer(d18:1/25:0) 1119.95433189 857.698201547 1212.791703526 2053.580764853 904.99705467 1831.360845078 Cer(d18:1/26:0) 1275.60106767 838.102284816 1446.448820719 2225.581184244 904.99705467 1837.156290791 Cer(d18:1/16:1) 98.420229166 105.064261244 135.74365856 155.321590844 83.99778488 85.772596542 Cer(d18:1/20:1) 27.267435667 19.294441089 22.920650544 47.638904037 20.911582428 23.529509592 Cer(d18:1/22:1) 354.593691288 281.879725289 356.048940485 766.183686379 401.53752814 538.976451241 Cer(d18:1/24:1) 21884.1651059 14410.535688556 24255.834070512 58897.113306693 24777.589263767 39582.894214826 Cer(d18:1/26:1) 1884.144696283 1400.354357183 1936.016113885 3658.918012504 1651.839284251 2689.086810495 Cer(d16:1/16:0) 284.377118756 205.003436574 367.175469875 482.64360108 259.198185561 322.806326174 Cer(d16:1/18:0) 49.034573152 45.975035408 48.845464023 84.957782911 51.400318154 37.960169415 Cer(d16:1/20:0) 45.406716904 19.44517891 30.152894647 58.897113307 27.67709439 40.626074443 Cer(d16:1/22:0) 150.965630944 132.950758131 155.771411462 341.394771822 144.975256331 198.783787931 Cer(d16:1/23:0) 82.153389863 69.791611128 104.811906855 166.267072078 77.759455668 103.73847825 Cer(d16:1/24:0) 798.12837445 551.700424897 867.869292431 1516.730970995 698.517144138 956.248542525 Cer(d16:1/24:1) 330.017890902 223.091975095 326.007311131 729.698748932 351.455166862 442.192507846 Cer(d18:2/14:0) 30.31015381 20.95255712 36.4950164 93.818410577 37.957158021 61.43172455 Cer(d18:2/16:0) 745.465945051 572.803719838 797.772157273 1204.002935739 687.094851215 799.771508294 Cer(d18:2/17:0) 47.162131218 33.614534085 37.496404045 96.94569093 53.684776738 56.911276895 Cer(d18:2/18:0) 244.587727654 173.348494162 258.135481851 400.291885129 243.382703052 241.670086202 Cer(d18:2/20:0) 67.876020115 38.890357821 69.095747513 154.27916406 73.981312624 104.318022821 Cer(d18:2/22:0) 408.426396896 318.056802331 433.934646216 776.607954221 434.925768992 585.34001694 Cer(d18:2/23:0) 423.639987612 331.623206222 466.201581447 901.699168324 470.071285678 530.862827244 Cer(d18:2/24:0) 2539.499373252 1944.517891029 3148.807817411 6098.196687507 2706.204784837 4317.607055644 Cer(d18:2/24:1) 868.344946983 587.877501939 971.34601576 2288.126791295 1045.579121414 1460.452319493 Cer(d18:2/26:0) 131.070935394 133.704447236 196.939570206 205.879289877 120.37339465 185.454262793 CoenzymeQ9 11.281462654 9.948696187 13.351835268 11.008026841 13.249859791 5.401355404 CoenzymeQ10 337.975769122 316.549424121 391.208773357 298.134060278 273.783574985 287.454107329 DG(14:0_16:0) 1048.567483149 602.95128404 1048.119068551 493.067868922 940.142571356 661.839900342 DG(16:0_16:0) 34055.037678166 40397.73603068 46175.096969094 16626.707207819 40241.616605693 24051.099705934 DG(14:0_18:0) 561.732580258 645.157873923 807.786033724 528.510379584 1268.753152372 596.930908364 DG(12:0_20:0) 1015.799749301 820.013746294 996.937033357 388.825190503 1057.880052254 617.794512928 DG(14:0_20:0) 709.187382576 627.069335402 360.499552241 165.745858686 687.094851215 372.067614728 DG(18:0_18:0) 10661.216262821 16882.63595312 25924.813479034 3580.73600369 10719.382589289 11359.073596056 DG(14:0_18:1) 1046.226930731 654.202143183 1219.46762116 503.492136763 1428.665253294 828.748736855 DG(16:0_18:1) 9666.48148528 6783.20194545 12773.255739884 5660.377438148 11193.847064553 11579.300533122 DG(16:0_20:1) 966.648148528 1422.965030334 1831.426737618 563.952890246 1556.946389198 944.657651101 DG(18:0_18:1) 1109.42184601 1588.776633445 2492.342583392 640.050045492 1419.878874122 1379.316079521 DG(16:0_18:2) 2691.635280405 2221.875481687 3159.934346801 1037.214650268 1720.373041789 1727.042822257 DG(18:1_18:1) 4318.319210737 2019.886801534 6408.880928723 2642.55189792 6009.883353339 4363.970621342 DG(18:1_20:1) 1135.167922606 461.257732291 1984.972843202 331.491717372 875.123365486 646.77174149 DG(16:0_20:3) 189.350690595 325.593693382 645.338704628 608.777241967 982.317191379 974.793968804 DG(18:1_18:2) 2387.363466098 2372.613302697 3449.224110944 1344.730551604 2671.059268151 1460.452319493 DG(18:2_18:2) 3990.641872252 2698.206996079 3415.844522774 1245.700007106 3400.328739389 2602.155124811 DG(18:0_20:4) 1078.99466458 871.264605438 1395.266785524 904.826448676 1449.752563306 1958.860650748 DG(18:2_18:3) 1729.668236712 N/A 1842.553267008 563.952890246 1161.559326479 1123.157379039 DG(18:1_20:4) 978.350910617 832.072771975 1831.426737618 981.966030706 1497.199010832 2213.860262088 DG(16:0_22:5) 374.488386839 373.829796105 447.286481484 253.309708558 458.648992755 554.044610093 DG(16:0_22:6) 2621.418707873 1790.765313599 4250.334227035 3669.342280346 7152.112645641 5065.219552527 DG(18:0_22:6) 468.110483549 373.829796105 792.208892578 287.709792436 504.338164447 700.089842043 DG(18:1_22:6) 1404.331450646 1112.445119054 3560.489404846 2366.30880011 4217.462002343 3117.949793203 MG(16:0) 75482.815472224 104762.785601951 68428.155749381 34139.477182198 59747.378366531 37670.397129776 MG(18:0) 87185.57756094 110792.298442351 75660.399852974 38830.39771105 68973.076496657 38829.486272231 HexCer(d16:1/18:0) 93.62209671 31.112286256 48.511668141 80.266862383 87.160881382 33.381767303 HexCer(d16:1/24:0) 95.494538644 45.944887844 67.204237516 64.421975263 57.638647365 30.831771189 HexCer(d16:1/24:1) 603.862523778 239.974611048 381.417427494 990.30544498 688.852127049 347.726742736 HexCer(d18:1/16:0) 6272.680479552 2387.687084798 4058.957921524 4503.283707698 3655.133735364 1824.406310224 HexCer(d18:1/17:0) 335.167106221 145.311259454 194.046672564 271.030963889 240.043878967 111.040739847 HexCer(d18:1/18:0) 231.714689357 82.604325913 136.188719735 200.354427921 166.941204259 91.104406597 HexCer(d18:1/20:0) 130.60282491 39.734489618 61.863503409 123.840301962 76.968681543 44.740840899 HexCer(d18:1/22:0) 1380.925926469 553.509278749 903.47418648 1576.149297694 1015.705432231 572.590036373 HexCer(d18:1/23:0) 664.716886639 261.680857273 453.962399118 590.013559851 449.862613583 259.63596791 HexCer(d18:1/24:0) 8472.799752231 3931.242371941 6586.905398965 10382.570770525 6501.920586946 4705.901918366 HexCer(d18:1/25:0) 387.127369895 136.869941477 226.091077208 289.794646005 223.174030957 125.645263042 HexCer(d18:1/26:0) 346.86986831 201.988680153 398.329752167 477.431467159 266.754471648 238.772363346 HexCer(d18:1/16:1) 237.332015159 93.457449026 112.600477428 296.04920671 251.99335464 89.481681797 HexCer(d18:1/22:1) 428.789202931 203.194582721 257.2453595 662.983434744 453.377165252 243.408719915 HexCer(d18:1/24:1) 24341.745144531 8983.974132196 15621.647263761 45449.807790652 31841.838117692 17200.882874027 HexCer(d18:2/24:0) 387.595480378 159.179138987 259.915726554 381.528203013 202.438176112 137.236154467 HexCer(d18:2/24:1) 1558.807910217 522.155811979 974.683974577 2731.158174576 2063.04182948 1054.771119634 Hex2Cer(d18:1/16:0) 1900.528563208 747.65959221 1370.788420866 1538.621933463 1103.569223947 686.180772333 Hex2Cer(d18:1/18:0) 102.516195897 36.960913712 86.341868068 125.29969946 97.704536388 39.409030843 Hex2Cer(d18:1/22:0) 491.516007726 148.326015874 298.190987656 523.298245663 351.455166862 248.045076485 Hex2Cer(d18:1/24:0) 2354.59573225 801.925207773 1428.646373694 2418.430139319 1374.18970243 843.816895707 Hex2Cer(d18:2/16:0) 126.857941042 58.425979423 52.962279897 78.390494171 58.693012866 20.817240998 Hex3Cer(d18:1/16:0) 372.615944905 155.561431282 239.442912476 431.564688654 222.471120624 156.940669888 Hex3Cer(d18:1/18:0) 39.789391102 13.566403891 40.812109803 38.569791015 32.404166385 13.839524361 Hex3Cer(d18:1/22:0) 72.089014466 31.896122926 56.077708126 100.072971282 50.609544028 31.990860332 Hex3Cer(d18:1/24:0) 213.926490982 128.428623501 199.387406671 373.18878874 224.579851625 110.808922019 SHexCer(d18:1:/16:0(OH)) 1657.111111762 723.541540848 930.177857016 2105.702104062 1644.810180914 822.953291143 SHexCer(d18:1:/16:0) 2995.907094712 1031.046695708 1984.972843202 2689.461103208 1778.363144321 1015.36208879 LPC(14:0) 109.53785315 55.772993774 76.773052792 69.21713847 43.228985524 53.549918381 LPC(0:0/15:0) 13.411365354 7.386153229 10.414431509 10.632753199 7.907741254 8.310669151 LPC(15:0/0:0) 9.923942251 7.144972716 6.653664575 4.565829315 6.800657479 5.783854821 LPC(0:0/16:0) 727.911801918 422.065898828 542.974634239 400.291885129 367.270649371 361.635812446 LPC(16:0/0:0) 823.874451046 545.670912056 589.706057678 356.509960193 451.619889418 418.431180426 LPC(0:0/17:0) 23.639579419 13.596551455 15.265598323 13.551548194 16.289946984 15.647703423 LPC(17:0/0:0) 25.04391087 13.20463312 15.488128911 14.4897323 17.572758343 16.690883651 LPC(0:0/18:0) 33.469899574 20.681229043 22.25305878 23.76733068 30.576599517 28.861319647 LPC(18:0/0:0) 369.807282003 233.342146923 253.684870095 218.90962468 286.435960992 267.749591907 LPC(0:0/19:0) 0.933880415 0.611995553 0.505144434 0.50244971 0.528940026 0.512317401 LPC(19:0/0:0) 1.128146265 0.708467759 0.692070128 0.834983854 0.929598916 0.763839745 LPC(0:0/20:0) 0.894091024 0.7747924 0.881221128 0.650474313 0.629104749 0.605044532 LPC(20:0/0:0) 3.908722538 2.921298971 3.115428229 2.314187461 2.354749618 2.607950571 LPC(22:0) 0.800468927 0.789866182 0.84784154 0.679662263 0.722240368 0.587658195 LPC(24:0) 2.551202135 2.215845969 2.625860936 2.241217586 2.75892306 2.144314914 LPC(26:0) 1.933296297 3.165494241 4.962432108 5.0244971 3.004941677 4.207493587 LPC(15:1) 1.235811677 0.551700425 0.785532975 0.76514126 0.490279958 0.606203622 LPC(16:1) 223.990866378 110.943036263 157.551656164 111.539665908 90.323977884 103.73847825 LPC(17:1) 8.519610801 5.607446942 5.986072812 5.055769903 7.521140571 5.494082535 LPC(0:0/18:1) 1315.390458772 958.692541624 1032.541927405 558.740756325 708.182161227 595.771819222 LPC(18:1/0:0) 369.807282003 227.312634083 275.937928876 200.145942564 237.232237632 234.136006776 LPC(19:1) 13.458176402 6.632464124 8.322643984 6.848743972 7.292694712 7.48771586 LPC(0:0/20:1) 40.959667311 20.470196093 27.593792888 21.682477111 17.555185585 21.095422393 LPC(20:1/0:0) 43.066164486 22.369492638 31.154282292 17.512769974 17.92421351 23.529509592 LPC(0:0/22:1) 1.460504709 0.759718618 1.250621903 1.407276159 1.049093673 1.193861817 LPC(22:1/0:0) 1.612640616 1.757602993 1.281776186 0.571249878 1.114112879 0.737180695 LPC(24:1) 10.438863783 8.531760669 10.03612951 7.140623472 7.222403679 7.394988729 LPC(0:0/18:2) 69.748462049 51.552334785 55.632646951 45.762535826 43.404713107 36.163581245 LPC(18:2/0:0) 134.113653537 97.678108014 103.476723328 84.853540233 77.671591876 68.038532662 LPC(0:0/20:2) 11.65595104 5.848627455 7.254497162 6.337954848 5.20153647 5.215901141 LPC(20:2/0:0) 6.319491528 3.286084498 3.938791404 2.491400014 3.672706494 3.58158545 LPC(22:2) 2.036280603 0.928544977 1.415294538 1.042426784 0.941899847 1.033907515 LPC(18:3) 4.938565601 2.631882355 3.337958817 2.783279514 2.776495818 2.364541851 LPC(20:3) 73.025235434 37.081503968 47.176484614 59.31408402 44.634806191 45.784021127 LPC(20:4) 3.019312619 1.50737821 1.731287973 3.075159013 2.530477201 2.237042045 LPC(0:0/22:4) 15.213590715 7.989104514 10.125141745 11.258209269 8.856670205 8.102033106 LPC(22:4/0:0) 4.681104835 2.360554277 2.292065054 3.502553995 4.322898552 3.871357736 LPC(20:5) 21.135188332 11.817845167 14.531247384 20.223079613 15.16529045 14.256796452 LPC(0:0/22:5) 69.514406807 33.463796264 49.846851668 60.460753483 37.078520104 39.524939758 LPC(22:5/0:0) 80.51500317 36.177077042 57.635422241 67.028042223 41.120254523 46.595383527 LPC(22:6) 212.522159531 193.245886535 152.210922057 174.08527296 127.402497987 125.181627385 LPC(O-14:0) 1.980107345 1.184799273 1.38191495 1.073699588 1.259966773 1.321361622 LPC(O-16:0) 379.169491674 207.716717352 269.262011241 144.897323002 139.176246077 183.136084508 LPC(O-18:0) 39.321280618 26.379118677 31.154282292 18.555196759 18.802851427 21.211331307 LPC(O-20:0) 5.289648464 3.58756014 4.183575051 2.929219264 2.723777543 3.106358902 LPC(O-22:0) 6.623763342 6.24054579 6.520146223 5.431043546 4.867654061 5.517264318 LPC(O-14:1) 1.963723478 1.905326058 1.878158161 0.839153561 1.049093673 1.065202922 LPC(O-16:1) 33.235844332 26.650446755 29.151507002 16.157615155 18.45139626 19.93633325 LPC(O-18:1) 121.006559997 63.611360466 77.440644555 54.310435456 52.191092279 67.458988091 LPC(O-20:1) 1.050908036 0.642143118 0.781082363 0.503492137 0.511367268 0.588817284 LPC(O-22:1) 0.379169492 N/A 0.273712623 0.156364018 N/A 0.191249709 LPC(O-18:2) 1.598597301 0.991854862 1.114878245 0.738038163 0.75914316 0.798612419 LPC(O-20:2) 0.578116447 N/A 0.409456282 0.29813406 0.282921409 0.431181161 LPC(O-20:3) 4.681104835 5.788332327 4.272587286 2.074429301 3.444260635 2.399314525 LPE(0:0/16:0) 87.302605182 44.618395019 63.421217524 100.072971282 54.475550864 73.370342717 LPE(16:0/0:0) 206.436723245 152.24519922 145.757535011 107.369958771 113.69574648 108.838470476 LPE(17:0) 43.768330212 27.645316373 29.819098766 21.682477111 22.493130679 21.327240221 LPE(0:0/18:0) 187.946359145 128.127147859 154.213697347 103.096008956 109.126829311 108.143016991 LPE(18:0/0:0) 196.138292607 132.347806847 151.765860882 107.369958771 110.356922395 107.911199163 LPE(20:0) 1.982447898 N/A N/A 2.6581883 1.29511229 1.947269759 LPE(22:0) 2.902284998 1.826942391 4.428358697 2.679036835 2.196594793 2.445678091 LPE(24:0) 14.51142499 12.511239144 13.819149503 11.779422661 10.209772597 10.98816507 LPE(16:1) 86.132328973 47.030200155 61.640972821 68.070469008 46.743537193 54.940825352 LPE(17:1) 5.851381044 4.100068731 4.73990152 1.15709373 3.725424769 3.280222273 LPE(0:0/18:1) 814.512241375 470.302001551 576.354222409 636.92276514 448.105337749 520.431024962 LPE(18:1/0:0) 344.061205408 187.517849336 195.604386679 164.703431902 152.004359668 192.408797647 LPE(0:0/20:1) 5.617325803 2.514306854 3.560489405 5.014072832 4.410762344 4.103175564 LPE(20:1/0:0) 4.119372255 2.2068017 3.070922112 2.230793318 1.862712384 3.291813165 LPE(0:0/18:2) 56.407313268 19.324588653 27.816323475 40.23767387 21.614492762 27.702230505 LPE(0:0/20:2) 20.456428131 12.149468373 16.689794085 20.223079613 11.105983273 13.329525138 LPE(20:2/0:0) 11.679356565 4.944200529 5.941566694 7.495048578 5.113672678 3.50044921 LPE(0:0/20:3) 143.475863208 61.802506614 90.792479824 170.957992607 77.144409126 96.320307738 LPE(20:3/0:0) 15.775323296 7.084677587 16.712047144 27.624309781 12.705104282 17.502246051 LPE(22:3) 75.599843093 68.434970739 61.195911646 54.72740617 61.153199034 50.304468783 LPE(20:4) 559.392027841 275.850212448 360.499552241 801.626197042 390.115235217 428.862982708 LPE(22:4) 82.855555588 34.066747548 46.731423439 99.030544498 51.488181945 60.852179979 LPE(20:5) 55.471092301 23.123181743 41.835750507 116.751799829 49.027995777 56.79536798 LPE(0:0/22:5) 306.612366724 130.237477353 212.294180764 437.819249359 161.84510434 221.386026209 LPE(22:5/0:0) 55.471092301 14.531125945 34.714771697 59.731054734 28.819323683 38.249941701 LPE(22:6) 1083.675769415 572.803719838 723.224410359 1553.215908442 537.726405299 835.70327171 LPE(P-16:0) 1416.034212735 883.323631119 1003.612950991 758.88669889 818.890538788 921.475868251 LPE(P-17:0) 26.448242321 17.545882366 19.871981491 14.593974979 20.735854845 18.661335194 LPE(P-18:0) 167.817608352 128.127147859 142.642106782 113.624519477 117.737480899 122.8634491 LPE(P-20:0) 44.470495937 41.603638599 47.399015202 40.029188513 33.036785685 33.84540296 LPE(P-22:0) 4.564077215 2.050034366 3.449224111 3.106431817 3.268533052 3.627949016 LPE(P-16:1) 2.995907095 2.420849405 2.759379289 2.585218425 2.266885826 2.677495919 LPE(P-18:1) 337.039548155 208.92261992 251.459564217 218.90962468 221.416755123 275.863215904 PC(O-16:0_14:0) 5804.569996004 5215.528606946 5919.313635556 4399.041029279 4112.025452285 4416.129632752 PC(O-16:0_16:0) 15751.917771413 13566.4038909 15532.63502864 13447.305516042 12705.104282059 14488.614280683 PC(O-18:0_16:0) 7138.684874117 6843.497073854 7588.293044078 6483.894597657 6326.193003515 6502.490089171 PC(O-16:0_22:0) 212.054049048 193.245886535 183.587734937 241.843013932 193.300341774 208.636045642 PC(O-16:0_14:1) 201.521563168 194.150313461 224.755893681 167.830712254 168.874207677 187.772441078 PC(O-16:0_16:1) 1205.384495138 931.559733842 1230.59415055 998.644859253 815.37598712 1070.998367628 PC(O-18:1_16:0) 3276.773384841 2728.354560281 3805.273051429 3544.251066243 2723.77754318 3338.176730269 PC(O-18:1_22:0) 1259.217200746 1043.105721389 1232.819456428 1136.245194766 950.686226362 1205.452708153 PC(O-16:0_18:2) 2995.907094712 2553.498687909 3226.693523142 2001.459425643 2214.16755123 2086.360456418 PC(O-18:0_18:2) 5968.408665246 5215.528606946 6164.097282139 5191.285385263 4568.917169205 5459.309860961 PC(O-18:1_20:1) 102.984306381 118.178451672 126.842435048 118.836653398 133.377235824 124.022538243 PC(O-18:1_22:1) 388.531701345 313.534667701 380.527305143 363.806947682 291.707788495 337.294940454 PC(O-18:1_24:1) 479.813245637 397.947847466 496.2432108 397.164604776 333.882408519 482.181083261 PC(O-16:1_18:2) 362.78562475 290.622518907 371.626081631 453.455651122 377.814304377 376.703971298 PC(O-18:1_18:2) 2434.174514453 2013.857288694 2425.583407051 1980.61088996 1862.712384368 1970.451542173 PC(O-18:0_20:3) 1636.046140003 1435.024056015 1791.371231813 1834.671140173 1511.257217506 1750.224605107 PC(O-16:0_20:4) 6904.629632343 5878.77501939 6831.689045548 6494.318865499 6431.629553574 6096.808889311 PC(O-18:0_20:4) 4727.915883842 4220.65898828 4695.39540264 5462.316349152 5201.536469557 5192.719358197 PC(O-20:0_20:4) 159.62567489 120.590256808 200.277529023 198.061088996 162.196559507 205.158778214 PC(O-20:0_22:4) 6.413113625 7.898661821 16.623034909 11.779422661 7.855022979 12.402253824 PC(O-24:0_20:4) 61.556528587 61.802506614 70.987257509 85.374753625 79.428867711 103.622569335 PC(O-16:1_20:4) 2902.284998002 2526.365880128 2826.138465096 3023.037674149 3901.152352168 3326.585838845 PC(O-18:1_20:4) 7045.062777408 6481.72630343 6631.411516525 6202.439365926 6431.629553574 6027.263540764 PC(O-20:1_20:4) 596.840866525 545.670912056 656.465234018 694.25623827 553.541887808 618.953602071 PC(O-22:1_20:4) 27.384463288 41.905114241 56.74529989 65.047431333 47.270719943 60.968088893 PC(O-24:1_20:4) 290.2284998 247.210026456 267.036705363 303.346194199 284.678685158 309.476801035 PC(O-16:1_20:5) 227.033584521 229.724439219 213.406833703 195.976235428 274.135030152 195.886065075 PC(O-18:2_20:4) 7115.27934994 7024.382459066 7120.978809692 4941.102957057 5254.254744586 5099.9922268 PC(O-22:2_20:4) 130.60282491 97.979583657 124.172067994 142.812469434 95.595805386 126.340716528 PC(O-16:1_22:6) 1193.681733049 1064.209016331 1188.313338867 1188.366533976 1277.539531543 1153.293696742 PC(O-18:1_22:6) 4002.344634341 3949.330910462 3916.53834533 2877.097924362 3180.669260101 3036.813553231 PE(P-18:0_16:0) 435.3427497 373.829796105 623.085645848 726.57146858 671.279368706 628.22631521 PE(P-18:0_18:0) 283.206842547 252.636588013 333.795881704 237.673306795 282.921409324 235.295095918 PE(P-18:0_20:0) 89.6431576 107.928279843 140.194270316 113.624519477 104.909367308 90.756679854 PE(P-16:0_18:1) 470.451035966 273.13693167 514.045657825 533.722513505 386.600683548 489.135618116 PE(P-18:0_18:1) 224.22492162 206.812290426 400.555058045 362.764520898 275.892305987 326.863138172 PE(P-15:0_20:3) 18771.230390302 19264.293525078 20628.585489326 10132.38834232 15393.736308553 9713.16701377 PE(P-18:1_18:2) 379.169491674 284.894481709 338.24649346 356.509960193 449.862613583 282.817750759 PE(P-17:0_20:3) 1179.638418543 642.143117503 1048.119068551 1030.960089563 880.395192989 884.385015693 PE(P-18:0_20:3) 1156.232894365 705.453002327 1370.788420866 1834.671140173 1637.781077577 1518.406776616 PE(P-18:0_22:3) 91.04748905 N/A 83.894031602 151.151883707 169.928573178 129.817983955 PE(P-15:0_20:4) 2949.096046357 2996.667881679 3137.68128802 1855.519675857 2776.495818209 1448.861428068 PE(P-16:0_20:4) 2738.44632876 1278.256722165 2358.82423071 2230.793318165 2442.613409691 2260.223827787 PE(P-17:0_20:4) 197.776679299 90.442692606 131.960638567 247.055147853 210.873100117 130.977073097 PE(P-18:0_20:4) 2090.113309045 1570.688094924 2603.607877294 3304.49290588 2917.077884954 2410.905416306 PE(P-18:0_22:4) 55.705147542 44.919870661 84.116562189 77.556552744 74.332767791 78.238517116 PE(P-16:0_20:5) 167.349497869 218.569840465 247.008952461 210.570210406 175.727583431 133.295251382 PE(P-18:1_20:4) 3300.178909018 1766.647262237 2336.57117193 4075.88872618 3040.087193356 2689.086810495 PE(P-18:0_22:5) 1645.408349674 1049.13523423 2247.558936809 3148.128888252 2354.749617975 2294.99650206 PE(P-16:0_22:6) 3464.01757826 3135.346677008 3983.297521671 2606.066960473 3215.814776787 2538.405221976 PE(P-18:0_22:6) 2410.768990276 1703.337377413 3204.440464361 3116.856084726 2512.904443063 2051.587782145 PE(P-20:0_22:6) 53.598650366 45.221346303 42.280811683 41.071615297 15.516745617 36.395399073 PE(P-18:1_22:6) 2031.599498601 1109.430362634 1330.732915061 1386.427622972 1897.857901055 1170.680033879 SM(d18:0/13:0) 11.749573137 7.144972716 7.766317514 7.547169918 13.408014616 8.565668763 SM(d18:0/14:0) 179.520370441 176.363250582 164.227573799 149.067030139 203.84399678 172.704282226 SM(d18:0/16:0) 6155.652858665 6029.5128404 5941.566694336 4628.3749218 6220.756453456 4833.401724036 SM(d18:0/17:0) 2092.453861463 2315.332930714 1953.818560909 1167.517998292 1402.306115779 1274.9980567 SM(d18:0/18:0) 645.992467297 611.995553301 640.888092872 465.964772533 567.600094482 489.135618116 SM(d18:0/22:0) 226.799529279 242.386416184 202.502834901 202.230796133 272.377754318 213.272402212 SM(d18:1/12:0) 14.722074708 16.008356591 12.172423153 8.141353185 10.227345356 8.3802145 SM(d18:1/14:0) 1472.207470761 1522.451992201 1373.013726744 833.941427351 1115.870154787 871.635035126 SM(d18:1/15:0) 664.716886639 672.290681705 654.23992814 477.431467159 576.386473654 467.112924409 SM(d18:1/16:0) 19215.935349673 22158.45968847 17780.193965449 9048.264486763 14427.234599683 9898.621276563 SM(d18:1/17:0) 1132.827370188 1073.253285591 1059.245597942 734.910882853 926.084364681 792.816973439 SM(d18:1/18:0) 702.165725323 859.205579757 745.47746914 383.613056582 630.862024517 407.999378144 SM(d18:1/19:0) 1352.839297456 1335.537094149 1413.069232548 968.414482512 1172.102981485 968.998523092 SM(d18:1/20:0) 325.336786066 334.637962642 311.542822924 232.461172874 298.736891833 242.249630773 SM(d18:1/21:0) 395.553358599 413.021629567 440.61056385 290.837072789 296.979615998 295.567731326 SM(d18:1/22:0) 1596.256748901 1564.658582084 1424.195761938 1136.245194766 1425.150701625 1193.861816728 SM(d18:1/23:0) 517.262084321 515.523347854 496.2432108 396.122177992 446.348061915 387.13577358 SM(d18:1/24:0) 5196.02636739 5094.938350138 5029.191284345 3898.676172868 4691.926477607 4323.402501356 SM(d18:1/25:0) 179.520370441 198.672448091 175.799164364 139.685189081 163.953835341 179.65881708 SM(d20:0/24:1) 89.409102358 101.295815719 92.12766335 74.846243105 86.809426215 108.606652648 SM(d18:2/14:0) 25.512021353 32.257893696 22.25305878 14.385489622 18.275668677 16.227247994 SM(d18:1/16:1) 1338.795982949 1501.34869726 1290.677409257 779.735234574 1019.2199839 807.885132291 SM(d18:1/17:1) 20.386211559 23.304067128 15.955443145 15.427916406 17.537612826 14.720432109 SM(d18:1/18:1) 174.839265605 187.216373694 171.12602202 110.497239124 149.016990749 104.781658478 SM(d18:1/20:1) 79.11067172 93.457449026 79.665950433 38.778276372 69.412395455 48.218108326 SM(d18:1/21:1) 337.039548155 307.50515486 331.570575826 235.588453227 235.474961798 223.704204494 SM(d18:1/22:1) 139.730979339 124.207964512 149.318024416 130.303348024 140.054883994 126.340716528 SM(d18:1/23:1) 33.938010057 32.257893696 32.489465819 23.454602644 36.551337354 27.818139419 SM(d18:1/24:1) 6366.302576262 6119.955533006 5785.795282874 4909.830153531 5588.137153105 5204.310249621 SM(d18:1/25:1) 129.432548701 123.303537586 109.707579787 103.51297967 116.858842982 113.474827046 SM(d18:1/26:1) 220.24598251 255.048393149 202.725365488 212.655063975 231.960410129 215.590580497 SM(d18:2/20:1) 13.153904588 5.275823735 9.724586687 8.652142309 12.792968074 9.319076705 SM(d18:2/22:1) 26.448242321 37.081503968 22.698119956 15.427916406 27.940685766 17.849972794 SM(d18:2/23:1) 830.896108299 780.821912832 767.73052792 743.250297127 880.395192989 693.135307188 SM(d18:2/24:1) 601.52197136 566.774206998 531.848104849 451.370797554 560.570991145 477.544726691 SM(d18:2/25:1) 69.748462049 64.515787392 64.533870463 57.020745095 61.153199034 62.706722607 SM(d18:2/26:1) 50.789987465 41.302162957 43.170934034 35.650996019 43.931895858 37.438579301 SM(d18:2/24:3) 191.691243013 153.75257743 156.661533813 216.824771111 321.581477679 267.749591907 TG(10:0_16:0_12:0) 58.513810444 56.496535315 36.539522517 32.31523031 18.697414877 10.733165459 TG(14:0_14:0_16:0) 262.141870787 268.313321398 94.352969228 93.192954507 80.131778045 55.172643181 TG(12:0_16:0_16:0) 35.155097315 77.177764357 28.483915239 26.269154962 36.199882187 18.800425891 TG(14:0_15:0_16:0) 374.956497322 197.768021165 149.540555004 107.161473415 118.440391232 103.390751507 TG(14:0_16:0_16:0) 213.458380498 413.021629567 181.362429059 155.321590844 158.857735422 109.881650705 TG(15:0_16:0_16:0) 297.250157053 215.253608402 62.75362576 94.443866648 112.817108563 35.352218845 TG(16:0_16:0_16:0) 1607.17542593 1388.797288446 731.383494361 567.77338441 748.599505416 553.27207718 TG(16:0_16:0_18:0) 3276.773384841 2812.767740047 1895.96060808 1303.033480237 1968.148934427 1008.407553936 TG(16:0_17:0_18:0) 62.726804796 55.833288902 30.486690529 40.654644583 32.825912585 36.85903473 TG(14:0_18:0_20:0) 115.623289437 135.061087625 72.099910448 55.665590276 57.287192198 47.522654841 TG(16:0_18:0_18:0) 3768.289392567 3346.379626422 1838.102655252 1292.609212395 1618.451043399 1286.588948125 TG(18:0_18:0_18:0) 541.44818273 675.305438125 308.575377536 229.333892522 298.736891833 176.181549653 TG(16:0_18:0_20:0) 80.046892687 62.70693354 42.592354505 30.438862098 40.417344189 43.813569585 TG(16:0_18:0_22:0) 36.184940378 33.704976778 19.938740667 19.535077936 23.090604463 17.618154965 TG(16:0_18:0_24:0) 36.13812933 33.102025494 22.297564898 20.223079613 20.243817611 16.505429389 TG(12:0_16:0_16:1) 226.097363554 322.578936961 123.727006818 59.626812056 63.613385202 70.008984204 TG(12:0_14:0_18:1) 221.416258719 299.063836884 133.963413857 90.065674154 98.055991554 76.73170123 TG(14:0_15:0_16:1) 239.204457093 189.326703189 72.990032799 88.189305942 75.211405708 60.504453236 TG(12:0_16:0_18:1) 150.263465219 86.824984902 39.031865101 51.704368496 57.287192198 66.06808112 TG(14:0_16:0_16:1) 378.701381191 352.123549879 277.273112402 180.339833665 221.416755123 147.43613892 TG(15:0_16:0_16:1) 249.502887731 183.297190348 136.188719735 159.699783338 181.702321268 94.118038367 TG(14:0_15:0_18:1) 99.707532996 76.574813073 102.809131565 24.184301393 79.780322878 74.181705117 TG(16:0_16:0_16:1) 423.639987612 352.726501163 187.148224342 138.642762297 209.115824283 159.954301659 TG(14:0_16:0_18:1) 403.979347303 410.609824431 247.454013637 252.267281774 345.831884192 356.999455876 TG(15:0_16:0_18:1) 362.317514267 334.637962642 158.886839691 143.229440148 130.741322073 114.518007275 TG(16:0_16:0_18:1) 798.12837445 699.423489486 576.354222409 591.055986635 657.221162032 812.521488861 TG(16:0_18:0_18:1) 936.220967097 826.043259135 734.350939749 802.668623826 955.958053864 943.498561958 TG(16:0_16:1_20:0) 42.598054003 34.428518319 32.444959702 36.90190816 54.82700603 37.786306044 TG(17:0_18:0_18:1) 79.11067172 30.931400871 43.215440151 47.951632073 76.265771209 70.936255518 TG(17:0_17:0_19:1) 30.427181431 17.184111595 23.454723954 28.770979244 41.47170969 42.886298271 TG(16:0_18:0_20:1) 202.691839377 122.39911066 158.441778516 157.406444413 162.37228709 195.422429418 TG(18:0_18:0_18:1) 388.531701345 286.100384277 267.036705363 308.55832812 275.892305987 319.908603317 TG(16:0_20:0_18:1) 226.565474038 141.693551749 174.463980837 142.603984077 137.418970243 138.858879266 TG(14:0_14:1_16:1) 94.558317677 119.38435424 43.883031915 37.735849588 43.580440691 40.799937814 TG(12:0_14:0_18:2) 57.109478993 53.542074023 51.62709637 17.262587546 23.44205963 18.313608451 TG(14:1_16:0_16:1) 86.600439457 97.678108014 34.225204404 26.894611032 43.580440691 33.84540296 TG(14:0_14:1_18:1) 102.984306381 84.413179766 28.394903004 28.770979244 49.203723361 35.236309931 TG(16:0_16:1_16:1) 295.845825603 282.181200931 191.37630551 108.412385556 101.570543223 102.92711585 TG(14:0_16:1_18:1) 423.639987612 317.755326689 154.881289111 164.703431902 188.028514271 112.663464647 TG(16:0_16:1_17:1) 204.096170827 179.07653136 100.138764511 97.362661643 75.914316042 44.277205242 TG(15:0_16:1_18:1) 98.771312029 107.928279843 58.74807518 41.697071368 47.797902693 35.236309931 TG(16:0_16:1_18:1) 894.091023578 904.42692606 396.104446289 456.582931475 558.81371531 542.453718669 TG(14:0_18:0_18:2) 181.158757133 152.546674862 82.336317487 105.702075917 106.842370726 217.676940953 TG(16:0_17:1_18:1) 191.457187771 191.135557041 163.782512623 225.164185385 234.420596297 238.772363346 TG(16:0_18:1_18:1) 1617.321720661 1163.695978197 1068.146821454 1292.609212395 1755.518558475 2283.405610636 TG(16:0_18:0_18:2) 260.269428853 299.666788168 133.518352682 220.994478248 266.051561314 324.544959887 TG(14:0_18:0_20:2) 60.386252378 25.32395393 23.89978513 27.311581746 30.506308484 47.754472669 TG(16:0_16:1_20:1) 165.711111176 78.383666925 120.166517414 134.681540517 86.809426215 127.731623499 TG(16:0_18:1_19:1) 74.429566884 39.553604233 43.749513562 70.885021325 58.693012866 66.995352434 TG(16:0_18:1_20:1) 249.970998215 163.399797975 206.063324305 268.946110321 215.793472453 338.454029597 TG(16:1_18:0_20:1) 571.094789929 343.682231903 393.434079235 631.710631219 460.406268589 720.953446607 TG(16:0_18:1_22:1) 125.453609591 78.383666925 76.550522204 103.617222348 108.951101727 153.695220289 TG(14:1_16:1_16:1) 95.02642816 168.826359531 60.083258707 33.566142451 41.120254523 24.340871992 TG(14:1_16:1_18:1) 58.04569996 58.908340451 39.565938511 28.562493887 23.055458946 23.645418506 TG(14:0_16:1_18:2) 84.727997522 82.001374629 46.286362263 43.573439579 34.688624969 33.381767303 TG(16:1_16:1_18:1) 249.034777248 161.590944123 113.490599779 202.647766846 126.52386007 152.999766804 TG(16:0_16:1_18:2) 156.817011989 218.871316107 102.364070389 99.030544498 128.984046238 93.422584882 TG(16:1_17:1_18:1) 123.113057173 109.134182411 67.204237516 45.241322434 46.392082026 60.040817579 TG(16:1_18:1_18:1) 276.185185294 217.062462254 181.139898472 235.588453227 221.065299956 333.817673027 TG(16:0_18:1_18:2) 1170.276208872 862.220336177 667.591763409 500.364856411 492.037233607 412.635734714 TG(17:1_18:1_18:1) 91.515599534 48.236102723 63.198686936 98.92630182 89.62106755 105.361203049 TG(18:1_18:1_18:1) 1265.524989512 1224.052909108 814.503119517 972.980311827 964.208463907 1213.24178719 TG(18:0_18:1_18:2) 358.572630398 305.696301008 183.36520435 153.862193346 239.340968633 229.036014549 TG(16:0_18:1_20:2) 89.877212841 60.295128404 46.286362263 87.355364515 73.805585041 101.304391051 TG(18:1_18:1_19:1) 63.663025763 42.809541167 38.49779169 59.001355985 40.065889022 63.518085007 TG(18:1_18:1_20:1) 395.553358599 239.974611048 274.157684173 425.310127949 349.697891028 472.908370121 TG(18:1_18:1_22:1) 71.620903983 35.15205986 47.62154579 63.588033836 64.316295536 89.945317454 TG(18:1_20:1_20:1) 46.811048355 27.072512653 22.475589368 27.520067103 26.007682348 57.838548208 TG(18:1_20:1_22:1) 118.900062821 84.413179766 69.429543394 94.026895934 88.918157216 140.017968409 TG(18:1_18:1_24:1) 47.747269322 23.967313541 28.261384651 51.808611174 36.727064937 58.070366037 TG(18:1_20:1_24:1) 12.404927814 8.019252078 6.186350341 11.925362411 11.035692239 19.93633325 TG(16:1_18:1_18:2) 1746.052103637 1633.997979748 1179.412115355 544.146781347 815.37598712 639.817206635 TG(16:0_16:0_20:4) 30.146315141 15.073782101 9.034741865 53.997707421 53.421185363 67.690805919 TG(16:0_18:2_18:2) 1296.66603943 934.574490262 574.128916531 456.582931475 611.53199034 507.681044395 TG(18:1_18:1_18:2) 978.350910617 919.500708161 411.681587435 564.995317031 574.629197819 456.681122127 TG(16:0_18:0_20:4) 370.275392487 507.082029878 156.661533813 160.742210122 211.576010451 148.595228063 TG(16:0_18:1_22:3) 86.132328973 77.780715641 110.37517155 125.29969946 116.331660231 126.340716528 TG(18:1_18:1_22:2) 29.350527319 9.647220545 19.716210079 32.94068638 20.700709328 40.104484329 TG(16:1_18:2_18:2) 114.453013228 150.73782101 68.761951631 39.820703156 46.040626859 49.14537964 TG(16:0_18:2_18:3) 278.057627228 279.166444511 189.596060808 95.486293432 153.937363086 101.536208879 TG(16:1_18:1_18:3) 243.417451445 367.19733198 159.331900867 121.33847768 152.180087251 117.068003388 TG(16:0_16:1_20:4) 35.155097315 N/A 15.354610558 46.492234575 35.84842702 66.995352434 TG(18:1_18:2_18:2) 1078.99466458 1329.507581308 522.946881337 326.279583451 518.396371121 395.249397577 TG(16:0_18:1_20:4) 64.131136246 30.750515486 32.801008642 176.378611885 236.529327298 273.545037619 TG(18:1_18:2_20:2) 36.091318282 25.444544186 12.95128021 22.099447825 31.490382951 20.515877821 TG(16:0_18:1_22:4) 80.046892687 37.141799097 38.141742749 157.823415126 195.409072775 203.999689072 TG(18:0_18:1_20:4) 42.083132471 18.269423906 19.360161139 91.525071652 106.490915559 125.181627385 TG(18:1_18:2_18:3) 575.775894765 528.788276103 218.970098398 167.622226898 220.362389622 118.922546016 TG(16:0_16:0_22:6) 83.323666072 37.684455253 72.099910448 195.767750071 239.340968633 241.090541631 TG(16:0_18:1_22:5) 99.707532996 40.699211673 33.37958817 175.127699744 259.022457977 305.999533608 TG(18:0_18:2_20:4) 36.13812933 20.078277759 26.525646066 84.436569519 144.096618413 143.495235836 TG(16:0_18:0_22:6) 24.622611435 13.325223377 10.191900921 85.68748166 76.617226376 102.695298021 TG(18:1_18:1_22:4) 31.316591349 N/A N/A 102.783280921 99.813267389 133.990704868 TG(18:0_18:0_22:6) N/A N/A 7.922088926 46.075263861 31.736401568 50.76810444 TG(18:2_18:2_18:3) 545.348713334 602.95128404 291.515070022 231.41874609 202.086720946 150.681588519 TG(16:0_16:1_22:6) 51.960263674 26.771037011 40.945628156 229.333892522 233.717685963 243.408719915 TG(15:0_18:1_22:6) 7.67701193 7.356005665 11.260047743 47.951632073 47.797902693 57.259003637 TG(16:0_18:1_22:6) 206.904833729 145.914210738 162.00226792 981.966030706 920.812537178 1103.452863617 TG(18:0_18:1_22:6) 99.239422512 50.647907859 70.319665746 344.000838782 376.057028542 435.817517563 TG(18:2_18:3_18:3) 43.674708115 53.180303252 35.471375696 43.364954222 26.288846481 18.568608062 TG(16:0_18:2_22:6) 54.768926575 21.766541354 31.109776175 225.164185385 172.915942096 245.7268982 TG(18:1_18:1_22:6) 12.124061524 7.717776436 11.527084448 60.356510805 53.77264053 63.05444935 TG(18:0_18:2_22:6) 220.480037751 75.368910505 84.561623365 533.722513505 474.464475264 609.680888931 TG(18:1_20:1_22:6) 39.368091666 16.822340825 N/A 105.285105203 66.07357137 96.436216652 TG(18:1_20:3_22:4) N/A N/A 7.65505222 23.350359966 21.860511379 28.745410733 TG(18:1_18:2_22:6) 38.899981183 N/A 15.755165616 141.561557293 94.892895053 149.522499377 TG(18:2_22:5_22:6) 14.183747652 N/A N/A 61.920150981 82.943419379 59.345364094 SPH(d17:0) 0.645992467 0.60114243 0.529622799 0.271030964 0.349346436 0.308317712 SPH(d17:1) 5.149215319 4.624636349 5.162709637 1.788804362 2.453157065 2.25790565 SPH(d19:1) 1.334114878 1.320463312 1.384140256 0.665068288 0.818890539 0.667635346 PE(P-16:0_16:0) 851.961080059 578.833232678 872.319904187 874.596071935 669.522092872 713.998911752 PE(P-18:1_14:0) 215.798932916 120.288781166 221.417934864 241.843013932 159.033463005 180.817906223 PE(P-17:0_18:1) 533.645951245 406.992116727 625.310951726 763.056406027 592.201956162 632.86267178 PE(P-16:0_20:1) 416.618330358 313.534667701 442.835869728 476.389040374 374.299752708 413.794823856 PE(P-20:0_18:1) 421.299435194 301.47564202 451.73709324 402.376738697 404.173441891 356.999455876 PE(P-18:0_20:1) 655.354676968 385.888821786 571.903610653 625.456070514 439.318958577 434.65842842 PE(P-18:1_16:1) 498.537664979 276.754639374 536.298716605 413.843433323 400.658890223 404.522110717 PE(P-16:0_20:2) 386.191148928 273.739882954 416.132199191 379.443349445 298.736891833 470.590191837 PE(P-18:0_18:2) 1268.579410417 967.736810884 1577.741867522 1459.397497865 1370.675150762 1228.634491002 PE(P-24:1_18:1) 105.090803557 72.052678443 103.921784504 130.303348024 75.738588459 103.970296078 PE(P-16:0_20:3) 4236.399876115 3044.903984402 4650.88928508 4597.102118275 4129.598210628 3523.630993062 PE(P-18:1_20:2) 182.563088584 158.274712061 208.066099596 238.715733579 168.698480094 197.045154217 PE(P-16:1_22:2) 1802.225361662 1187.814029559 1891.509996324 2491.400014212 2020.867209456 1924.087976475 PE(P-16:0_22:3) 344.061205408 188.422276263 389.428528655 313.770462041 203.84399678 354.681277591 PE(P-14:0_20:4) 134.347708778 85.920557976 98.135989221 133.430628376 114.22292923 91.220315511 PE(P-16:0_22:4) 2668.229756227 1881.208006205 2581.354818513 3512.978262718 2723.77754318 2909.313747561 PE(P-18:1_20:3) 1568.170119888 997.884375086 1586.643091034 1720.004193912 1370.675150762 1263.407165276 PE(P-17:0_22:4) 248.098556281 134.156660699 199.832467847 257.479415695 233.717685963 206.317867357 PE(P-19:0_20:4) 180.924701892 115.465170894 229.206505437 277.285524594 226.688582626 176.181549653 PE(P-18:1_22:3) 132.709322086 63.309884824 115.270844482 136.557908729 114.925839564 157.636123374 PE(P-16:1_20:4) 351.082862662 175.760299298 258.135481851 302.303767415 272.377754318 270.067770192 PE(P-16:0_22:5) 16126.406158252 12360.50132282 17312.879731063 14802.460335488 14884.126316603 12518.16273851 PE(P-18:0_20:5) 7162.090398295 5637.594505774 7922.088925782 7557.594185372 7415.704020787 5714.309472301 PE(P-16:0_24:5) 65.301412455 44.015443735 64.088809287 47.638904037 34.442606352 47.870381583 PE(P-18:1_22:4) 999.415882376 645.157873923 1081.498656722 1386.427622972 1312.685048229 1240.225382426 PE(P-22:1_20:4) 105.792969282 91.648595174 121.056639765 127.176067671 112.992836146 113.474827046 PE(P-18:0_24:5) 78.408505994 50.949383501 121.279170353 108.412385556 109.302556894 92.843040311 PE(P-14:0_22:6) 93.153986226 76.273337431 106.36962097 125.091214103 124.766584236 105.824838706 PE(P-18:1_20:5) 2253.951978287 1763.632505817 2165.222619322 2105.702104062 2389.895134661 1553.179450889 PE(P-18:2_20:4) 199.18101075 160.385041555 180.472306708 243.9278675 212.630375951 175.022460511 PE(P-17:0_22:6) 1369.22316438 1175.755003878 1715.71083196 1417.700426497 1210.763049839 1026.952980215 PE(P-18:1_22:5) 4798.132456374 3436.822319028 5162.709637026 4482.435172014 4129.598210628 3291.813164571 PE(P-16:0_24:6) 538.327056081 410.006873147 549.650551873 464.922345748 423.503476069 351.204010164 PE(P-18:0_24:6) 514.921531904 313.534667701 560.777081263 587.928706283 393.629786885 372.067614728 PE(P-20:1_22:6) 760.679535767 425.080655248 694.295433945 785.989795279 564.085542813 557.521877521 PE(P-22:1_22:6) 68.57818584 34.669698832 76.105461029 45.137079755 43.228985524 54.477189695 PE(P-18:2_22:6) 216.032988158 222.790499453 229.206505437 257.479415695 242.504065135 149.522499377 LPE(15:0) 4.54067169 5.818479891 5.095950461 2.043156497 3.18066926 2.816586616 Cer(d18:1/24:1(2OH)) 741.955116425 459.750354081 715.435839786 1250.912141027 474.464475264 863.521411129 Cer(d18:1/25:1(2OH)) 78.642561236 49.592743112 76.327991616 115.188159653 46.040626859 81.715784543 SM(d18:1/26:0) 98.771312029 94.06040031 85.896806892 65.777130082 71.345398873 90.64077094 DG(O-19:0_16:0) 52194.318915677 36780.02832644 37830.199926487 11570.937304501 43228.985524019 14720.432109174 DG(O-19:2_18:2) 4798.132456374 3527.265011634 4984.685166784 2355.884532268 3532.124426963 2735.450376193 MGDG(14:0_18:0) 662.376334221 562.252072367 830.039092505 250.703641598 354.969718531 524.487836961 MGDG(16:0_18:1) 1519.018519115 554.715181317 1722.386749594 1052.851052031 1354.859668253 1321.361622398 LPC(28:0) 11.351679226 10.280319393 14.553500442 9.288022647 7.626577121 9.145213334 LPC(16:2) 39.087225376 20.259163144 24.478364658 21.995205146 15.850628025 18.197699537 LPC(16:3) 1.36454206 N/A 1.085949268 1.30303348 N/A 1.263407165 LPC(O-24:1) 27.852573771 21.073147377 27.148731712 20.640050327 18.275668677 24.224963077 LPC(O-24:0) 40.257501585 32.86084498 38.49779169 31.585531561 27.413503015 32.22267816 Cer(t18:0/22:2(2OH)) 157.987288198 149.381180621 184.700387876 412.801006539 188.907152188 214.431491354 Cer(t18:1/20:1(2OH)) 173.200878913 182.392763422 157.99671734 108.933598948 117.737480899 97.943032537 Cer(t20:0/18:2(2OH)) 72.674152571 80.041782956 38.052730514 46.075263861 39.187251105 28.339729533 Cer(t20:2/18:0(2OH)) 259.80131837 296.95350739 239.220381888 142.812469434 204.722634697 151.840677662 Cer(t22:1/16:1(2OH)) 56.524340889 70.243824591 55.966442832 23.975816036 29.082915058 35.120401016 Cer(t24:2/16:2(2OH)) 38.151004409 23.515100078 56.856565184 57.854686523 37.693566646 37.206761473 Cer(t26:1/12:1(2OH)) 124.04927814 120.590256808 96.467009813 56.291046346 50.345952653 51.289694554 Cer(t30:0/18:1(2OH)) 65.652495318 54.717829027 79.443419846 120.400293574 61.943973159 90.988497683 Cer(d16:0/18:0) 63.663025763 49.140529649 69.652073982 205.358076485 98.407446721 129.238439384 Cer(d16:0/18:1) 167.349497869 131.2926421 198.052223145 279.891591555 146.732532165 177.340638796 Cer(d16:0/21:0) 102.750251139 106.722377275 88.455908652 80.266862383 62.559019701 54.882870895 Cer(d17:0/18:0) 98.186173924 81.850636808 90.68121453 67.757740972 53.596912946 68.965803976 Cer(d18:0/18:1) 27.033380425 23.062886615 27.705058181 53.684979386 22.668858263 31.990860332 Cer(d18:0/19:1) 651.843848342 737.107944739 623.085645848 447.201090417 411.202545228 318.169969604 Cer(d16:1/26:0) 48.917545531 23.213624436 71.654849273 88.606276656 37.517839063 70.70443769 Cer(d17:1/16:0) 823.874451046 572.803719838 874.545210065 1297.821346316 704.667609558 805.566954006 Cer(d17:1/18:0) 47.747269322 40.849949494 44.839913442 94.860837361 47.885766485 53.318100553 Cer(d17:1/23:1) 38.853170135 28.33871035 39.944240511 99.030544498 46.567809609 49.14537964 Cer(d17:1/24:0) 126.389830558 108.079017664 157.99671734 172.000419391 65.458524828 113.011191389 Cer(d17:1/24:1) 342.890929199 236.658378986 359.386899302 823.51715951 381.328856045 522.749203247 Cer(d17:1/25:1) 238.73634661 205.003436574 309.317517046 568.122597383 256.562271809 416.692546712 Cer(d17:1/26:0) 90.696406188 68.133495097 86.564398655 142.291256042 55.002733614 74.761249688 Cer(d18:1/15:0) 94.441290056 80.493996419 133.518352682 164.18221851 90.499705467 128.658894812 Cer(d18:1/23:1) 498.537664979 355.741257584 508.48239313 1235.275739264 560.570991145 701.248931185 Cer(d18:1/24:2) 211.819993806 167.318981321 178.024470242 510.267910861 278.528219738 348.306287308 Cer(d18:1/25:1) 743.125392634 399.455225677 845.616233651 1693.943524308 683.580299546 1153.293696742 Cer(d18:1/26:2) 129.900659185 77.479239999 107.482273909 256.958202303 132.67432549 179.079272509 Cer(d18:2/25:0) 160.327840615 155.25995564 232.544464254 308.55832812 162.548014674 213.272402212 Cer(d18:2/25:1) 124.04927814 71.449727159 99.24864216 222.558118424 90.499705467 141.408875379 Cer(d18:2/26:1) 176.71170754 143.20092996 218.079976047 413.322219931 147.611170082 268.908681049 Cer(d19:1/16:0) 23.639579419 11.305336576 20.139018196 30.543104777 15.991210092 22.776101649 Cer(d19:1/24:1) 270.333804249 208.018192994 239.220381888 1058.063185952 459.527630672 770.794279732 Cer(d19:2/24:0) 51.726208432 31.051991128 46.175096969 123.006360534 58.780876658 83.454418257 Cer(d19:2/24:1) N/A N/A N/A 68.800167756 32.685330518 60.852179979 Cer(d20:1/24:1) 282.036566338 214.047705834 288.177111205 818.305025589 330.36785685 540.135540384 Cer(d20:1/26:0) 52.545401778 40.699211673 56.522769302 67.23652758 39.45084248 49.782878668 Cer(d20:2/24:0) 99.590505375 65.72168996 92.572724526 148.024603355 62.646883493 114.749825103 Cer(d20:2/24:1) 53.598650366 30.750515486 53.852402248 164.18221851 48.412949235 118.806637102 Cer(d21:3/16:0) 505.559322233 425.080655248 407.230975679 382.570629797 295.222340164 261.954146195 HexCer(t14:0/24:1(2OH)) 81.451224137 70.545300233 46.731423439 51.078912425 76.968681543 28.977228561 HexCer(t14:0/24:2(2OH)) 847.279975223 451.610511746 480.666069654 371.103935171 709.939437061 144.42250715 HexCer(t14:1/17:0(2OH)) 78.174450753 42.266885011 32.801008642 49.828000284 74.859950542 23.181782849 HexCer(t14:1/24:0(2OH)) 286.951726415 160.385041555 178.469531418 132.179716235 232.311865296 62.127178036 HexCer(t15:0/16:2(2OH)) 29.02284998 8.561908233 17.090349143 22.099447825 14.444807358 7.789079037 HexCer(t16:0/22:2(2OH)) 91.281544292 62.103982256 51.182035195 42.947983509 63.964840369 15.856339469 HexCer(t17:2/16:0(2OH)) 561.732580258 223.091975095 409.901342733 756.801845321 576.386473654 243.408719915 HexCer(t17:2/22:2(2OH)) 194.265850673 57.159781727 76.99558338 125.508184816 85.755060714 39.640848672 HexCer(t18:0/20:1(2OH)) 336.103327188 119.38435424 97.023336282 93.818410577 148.665535583 47.986290498 HexCer(t18:1/20:0(2OH)) 417.086440842 241.180513616 254.574992446 225.164185385 340.208601522 97.363487966 HexCer(t18:2/20:0(2OH)) 368.402950553 235.151000776 191.821366686 173.042846175 304.711629669 92.958949225 HexCer(t19:1/26:1(2OH)) 113.282737019 37.985930895 63.643748112 108.829356269 83.99778488 47.522654841 HexCer(t22:1/16:1(2OH)) 636.630257626 422.065898828 353.823634607 291.879499573 565.842818648 145.349778464 HexCer(d18:1/23:1) 40.163879488 16.64145544 35.02631452 72.969874893 48.500813027 23.877236335 HexCer(d18:1/25:1) 62.258694312 41.663933727 72.099910448 149.484000853 74.157040208 54.940825352 HexCer(d20:1/24:1) 25.32477716 12.059025681 20.027752902 54.623163492 52.366819862 26.890868105 TG(14:0_14:0_16:1) 118.431952338 103.104669571 93.685377465 45.762535826 50.960999195 35.004492102 TG(14:0_18:0_18:1) 118.431952338 110.943036263 71.654849273 138.225791583 102.624908724 125.877080871 TG(14:0_20:2_22:6) 46.155693678 29.84608856 19.582691727 210.570210406 183.108141935 217.676940953 TG(16:0_16:0_20:2) 67.876020115 51.431744529 49.846851668 70.468050611 76.265771209 72.558980318 TG(16:0_20:2_22:6) 124.04927814 65.72168996 83.671501014 596.268120556 516.639095287 614.317245501 TG(18:0_17:1_18:1) 291.164720767 206.812290426 269.707072417 329.406863804 305.414540003 248.045076485 TG(18:0_16:1_20:1) 1006.43753963 777.807156412 654.23992814 854.789963035 762.65771209 864.680500271 TG(16:0_20:1_18:2) 270.567859491 122.39911066 92.572724526 170.12405118 127.929680738 200.522421645 TG(18:1_17:2_19:2) 2396.725675769 1633.997979748 814.461951358 750.547284616 839.9778488 482.181083261 TG(17:0_18:1_20:1) 27.89938482 19.535621603 20.25028349 22.099447825 25.691372698 41.031755643 TG(18:0_18:2_20:2) 66.939799147 47.271380669 48.956729317 133.84759909 105.085094892 145.117960635 TG(18:1_20:1_20:2) 28.601550545 13.023747735 10.725974332 29.396435314 16.518392843 32.22267816 TG(18:1_20:2_20:4) 63.194915279 32.921140109 31.55483735 156.989473699 176.781948932 191.249708505 TG(20:0_18:1_22:6) 16.664733214 15.254667486 9.1237541 47.743146716 36.551337354 37.554488216 Cer(t14:1/21:0) 70.450627774 59.69217712 52.18342284 43.312832883 32.861058102 28.513592904 Cer(t16:1/26:0) 1755.414313308 1505.87083189 1824.750819983 4075.88872618 1572.761871707 2602.155124811 Cer(t17:0/22:1) 76.770119302 53.361188638 86.453133361 137.600335513 60.098833533 99.681666251 Cer(t17:1/22:0) 168.519774078 139.432484434 244.783646583 413.843433323 142.339342579 263.113235337 Cer(t17:1/22:1) 237.566070401 152.24519922 200.277529023 312.206821865 159.033463005 183.136084508 Cer(t17:2/16:0) 1732.00878913 1160.681221777 1735.738584862 2371.520934031 1089.511017272 1425.679645219 Cer(t17:2/16:1) 114.453013228 80.041782956 153.546105584 230.897532698 98.407446721 131.556617669 Cer(t17:2/18:0) 193.095574464 138.82953315 195.826917267 178.254980096 94.014257136 114.170280532 Cer(t17:2/22:0) 723.230697083 459.750354081 762.167263225 1391.639756893 538.605043216 741.817051171 Cer(t17:2/22:1) 53.481622745 42.658803346 88.789704533 75.575941854 33.036785685 63.170358264 Cer(t17:2/23:0) 204.798336553 144.406832528 284.839152388 398.20703156 170.455755928 311.79497932 Cer(t17:2/24:0) 3370.39548155 2502.247828766 3838.652639599 5629.104634622 2231.740309573 3645.33535302 Cer(t17:2/24:1) 1369.22316438 670.783303495 1279.550879866 2496.612148133 767.050901676 1408.293308082 Cer(t17:2/25:0) 1322.412116025 1015.972913607 1568.84064401 2996.977004544 1256.452221531 1976.246987885 Cer(t18:1/15:1) 143.943973691 82.604325913 116.828558597 202.752009525 94.892895053 108.37483482 Cer(t21:0/22:0) 37.799921547 47.934627081 46.953954026 38.88251905 24.689725472 23.181782849 Cer(d14:3/27:1(2OH)) 13.458176402 10.144655354 8.634186807 25.383092195 6.229542833 10.895437939 Cer(d18:1/15:1(2OH)) 800.468926868 560.744694157 697.633392762 839.153561272 348.81925311 649.089919775 Cer(d18:1/16:1(2OH)) 128.730382976 88.935314396 116.828558597 148.545816747 73.190538499 90.408953111 Cer(d18:1/21:0(2OH)) 103.452416864 86.975722723 139.081617377 300.218913847 137.067515076 202.84059993 Cer(d18:1/21:1(2OH)) 157.987288198 75.368910505 115.715905657 138.642762297 115.101567147 121.124815387 Cer(d18:1/26:2(2OH)) 176.71170754 116.671073462 193.601611388 263.7339764 120.37339465 190.090619363 Cer(d18:2/22:0(2OH)) 10.3101334 8.983974132 14.241957619 17.095799261 11.422292923 10.721574568 Cer(d18:2/24:0(2OH)) 249.26883249 205.003436574 292.627722961 380.485776229 197.69353136 210.954223927 Cer(d20:1/24:0(2OH)) 138.092592647 79.13735603 132.405699743 161.576151549 73.366266082 126.920261099 Cer(d20:1/24:1(2OH)) 35.810451991 15.375257743 21.140405841 54.72740617 24.953316847 36.569262444 Cer(d24:1/18:0(2OH)) 641.311362462 681.334950965 616.409728214 513.395191213 444.59078608 391.192585578 Cer(d24:3/15:1(2OH)) 449.386064207 423.573277038 382.752611021 303.867407591 250.411806389 188.351985649 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Q1 (Da) Molecular Weight Ionization model Formula HMDB lipidmaps ID Pubchem CID CAS ChEBI Metlin DL-Carnitine 162.1134315 161.105194 [M+H]+ C7H15NO3 HMDB0000062 - 10917 541-15-1 - - Carnitine C2:0 204.1240515 203.115759 [M+H]+ C9H17NO4 HMDB0000201 LMFA07070049 7045767 3040-38-8 - - Carnitine C3:0 218.1397565 217.131409 [M+H]+ C10H19NO4 HMDB0000824 LMFA07070105 107738 17298-37-2 - - Carnitine C4:0 232.1554615 231.147059 [M+H]+ C11H21NO4 HMDB0002013 LMFA07070054 213144 25576-40-3 - - Carnitine C4-OH 248.1503765 247.141974 [M+H]+ C11H21NO5 - LMFA07070071 53481617 - - - Carnitine C5-OH 262.1660815 261.157624 [M+H]+ C12H23NO5 HMDB0062555 LMFA07070073 57357187 - - - Carnitine C8:0 288.2182815 287.209659 [M+H]+ C15H29NO4 HMDB0000791 LMFA07070095 11953814 25243-95-2 - - Carnitine C6-2OH 290.1609965 289.152539 [M+H]+ C13H23NO6 HMDB0000552 LMFA07070087 128145 102673-95-0 - - Carnitine C12-OH 360.2760165 359.267174 [M+H]+ C19H37NO5 - LMFA07070039 71464535 - - - Carnitine C14:0 372.3125115 371.303559 [M+H]+ C21H41NO4 HMDB0005066 LMFA07070102 53477791 25597-07-3 - - Carnitine C16:0 400.3439215 399.334859 [M+H]+ C23H45NO4 HMDB0000222 LMFA07070004 11953816 2364-67-2 - - Carnitine C18:0 428.3753315 427.366159 [M+H]+ C25H49NO4 HMDB0000848 LMFA07070008 52922056 25597-09-5 - - Carnitine C3:1-2OH 248.1134123 247.105589 [M+H]+ C10H17NO6 HMDB0002095 LMFA07070080 91825606 910825-21-7 - - Carnitine C4:1-2OH 262.1290623 261.121239 [M+H]+ C11H19NO6 HMDB0061717 LMFA07070101 71464481 256928-74-2 - - Carnitine C5:1 244.1554615 243.147059 [M+H]+ C12H21NO4 HMDB0002366 LMFA07070108 91825636 64681-36-3 - - Carnitine C12:1 342.2653965 341.256609 [M+H]+ C19H35NO4 - - - - - - Carnitine C12:1-OH 358.2603115 357.251524 [M+H]+ C19H35NO5 - LMFA07070024 71464579 - - - Carnitine C16:1 398.3282165 397.319209 [M+H]+ C23H43NO4 HMDB0006317 LMFA07070097 53477817 - - - Carnitine C18:1 426.3596265 425.350509 [M+H]+ C25H47NO4 HMDB0005065 LMFA07070096 46907933 38677-66-6 - - Carnitine C22:1 482.41876 481.413109 [M+H]+ C29H55NO4 - - - - - - Carnitine C18:2 424.3439215 423.334859 [M+H]+ C25H45NO4 HMDB0006469 LMFA07070009 6450015 36816-10-1 - - Cholesterol 369.4 386.354865 [M-H2O+H]+ C27H46O HMDB0000067 LMST01010001 5997 57-88-5 - - SPH(d18:0) 302.305904 301.298079 [M+H]+ C18H39NO2 HMDB0000269 LMSP01020001 91486 764-22-7 - - SPH(d18:1) 300.290254 299.282429 [M+H]+ C18H37NO2 - LMSP01010001 5280335 - - - SPH(d18:2) 298.274604 297.266779 [M+H]+ C18H35NO2 - LMSP01080010 11220228 - - - Cer(d18:0/16:0) 540.535569 539.527744 [M+H]+ C34H69NO3 HMDB0011760 LMSP02020001 5283572 5966-29-0 - - Cer(d18:0/24:0) 652.66077 651.652944 [M+H]+ C42H85NO3 HMDB0011768 LMSP02020012 5283577 - - - Cer(d18:1/14:0) 510.488618 509.480794 [M+H]+ C32H63NO3 HMDB0011773 LMSP02010001 5282310 - - - Cer(d18:1/16:0) 538.51992 537.512094 [M+H]+ C34H67NO3 HMDB0004949 LMSP02010004 5283564 24696-26-2 - - Cer(d18:1/17:0) 552.535569 551.527744 [M+H]+ C35H69NO3 - LMSP02010020 44584335 - - - Cer(d18:1/18:0) 566.55122 565.543394 [M+H]+ C36H71NO3 HMDB0004950 LMSP02010006 5283565 2304-81-6 - - Cer(d18:1/19:0) 580.6 579.559044 [M+H]+ C37H73NO3 - LMSP02010032 52931126 - - - Cer(d18:1/20:0) 594.58252 593.574694 [M+H]+ C38H75NO3 HMDB0004951 LMSP02010007 5283566 7344-02-7 - - Cer(d18:1/21:0) 608.598169 607.590344 [M+H]+ C39H77NO3 - - 57713716 - - - Cer(d18:1/22:0) 622.61382 621.605994 [M+H]+ C40H79NO3 HMDB0004952 LMSP02010008 5283567 27888-44-4 - - Cer(d18:1/23:0) 636.629469 635.621644 [M+H]+ C41H81NO3 HMDB0000950 LMSP02010021 52931115 67605-84-9 - - Cer(d18:1/24:0) 650.64512 649.637294 [M+H]+ C42H83NO3 HMDB0004956 LMSP02010012 5283571 34435-05-7 - - Cer(d18:1/25:0) 664.660769 663.652944 [M+H]+ C43H85NO3 HMDB0004957 LMSP02010013 9547202 67492-18-6 - - Cer(d18:1/26:0) 678.676419 677.668594 [M+H]+ C44H87NO3 HMDB0004955 LMSP02010011 5283570 - - - Cer(d18:1/16:1) 536.504225 535.496444 [M+H]+ C34H65NO3 HMDB0035480 - 131751776 141980-53-2 - - Cer(d18:1/20:1) 592.566825 591.559044 [M+H]+ C38H73NO3 - - 138280278 - - - Cer(d18:1/22:1) 620.598125 619.590344 [M+H]+ C40H77NO3 HMDB0011775 - 53481052 - - - Cer(d18:1/24:1) 648.62947 647.621644 [M+H]+ C42H81NO3 HMDB0004953 LMSP02010009 5283568 - - - Cer(d18:1/26:1) 676.66077 675.652944 [M+H]+ C44H85NO3 - LMSP02010010 5283569 - - - Cer(d16:1/16:0) 510.6 509.480794 [M+H]+ C32H63NO3 - - 138235827 - - - Cer(d16:1/18:0) 538.6 537.512094 [M+H]+ C34H67NO3 - LMSP02010046 10582678 - - - Cer(d16:1/20:0) 566.6 565.543394 [M+H]+ C36H71NO3 - LMSP02010047 70698937 - - - Cer(d16:1/22:0) 594.6 593.574694 [M+H]+ C38H75NO3 - LMSP02010016 10627306 - - - Cer(d16:1/23:0) 608.6 607.590344 [M+H]+ C39H77NO3 - LMSP02010017 11273482 - - - Cer(d16:1/24:0) 622.6 621.605994 [M+H]+ C40H79NO3 - LMSP02010050 10627700 - - - Cer(d16:1/24:1) 620.6 619.590344 [M+H]+ C40H77NO3 - - 164439072 - - - Cer(d18:2/14:0) 508.5 507.465144 [M+H]+ C32H61NO3 - LMSP02010022 52931116 - - - Cer(d18:2/16:0) 536.5 535.496444 [M+H]+ C34H65NO3 - LMSP02010024 52931118 - - - Cer(d18:2/17:0) 550.5 549.512094 [M+H]+ C35H67NO3 - - 138253123 - - - Cer(d18:2/18:0) 564.6 563.527744 [M+H]+ C36H69NO3 - - 15870105 - - - Cer(d18:2/20:0) 592.6 591.559044 [M+H]+ C38H73NO3 - LMSP02010026 52931120 - - - Cer(d18:2/22:0) 620.6 619.590344 [M+H]+ C40H77NO3 - LMSP02010029 52931123 - - - Cer(d18:2/23:0) 634.6 633.605994 [M+H]+ C41H79NO3 - LMSP02010030 52931124 - - - Cer(d18:2/24:0) 648.6 647.621644 [M+H]+ C42H81NO3 - - 138311445 - - - Cer(d18:2/24:1) 646.6 645.605994 [M+H]+ C42H79NO3 - - 164413685 - - - Cer(d18:2/26:0) 676.6 675.652944 [M+H]+ C44H85NO3 - - 138314265 - - - CoenzymeQ9 795.62878 794.62131 [M+H]+ C54H82O4 HMDB0006707 LMPR02010004 5280473 303-97-9 - - CoenzymeQ10 863.69147 862.68391 [M+H]+ C59H90O4 HMDB0001072 LMPR02010001 5281915 303-98-0 - - DG(14:0_16:0) 558.519116 540.475375 [M+NH4]+ C33H64O5 HMDB0007011 LMGL02010378 13734178 - - - DG(16:0_16:0) 586.550416 568.506675 [M+NH4]+ C35H68O5 HMDB0007098 LMGL02010001 644078 - - - DG(14:0_18:0) 586.550416 568.506675 [M+NH4]+ C35H68O5 HMDB0007013 LMGL02010383 53477951 - - - DG(12:0_20:0) 586.550416 568.506675 [M+NH4]+ C35H68O5 HMDB0093103 LMGL02010340 56936308 - - - DG(14:0_20:0) 614.581716 596.537975 [M+NH4]+ C37H72O5 HMDB0007020 LMGL02010388 53477955 - - - DG(18:0_18:0) 642.613016 624.569275 [M+NH4]+ C39H76O5 HMDB0007158 LMGL02010002 102615 - - - DG(14:0_18:1) 584.534766 566.491025 [M+NH4]+ C35H66O5 HMDB0007014 LMGL02010384 53477952 - - - DG(16:0_18:1) 612.566066 594.522325 [M+NH4]+ C37H70O5 HMDB0007102 LMGL02010006 5282283 29541-66-0 - - DG(16:0_20:1) 640.597366 622.553625 [M+NH4]+ C39H74O5 HMDB0007108 LMGL02010048 9543715 - - - DG(18:0_18:1) 640.597366 622.553625 [M+NH4]+ C39H74O5 HMDB0007160 LMGL02010043 6443547 - - - DG(16:0_18:2) 610.550416 592.506675 [M+NH4]+ C37H68O5 HMDB0007103 LMGL02010027 9543695 51621-26-2 - - DG(18:1_18:1) 638.581716 620.537975 [M+NH4]+ C39H72O5 HMDB0007218 LMGL02010049 9543716 - - - DG(18:1_20:1) 666.613016 648.569275 [M+NH4]+ C41H76O5 HMDB0007224 LMGL02010090 9543756 - - - DG(16:0_20:3) 636.566066 618.522325 [M+NH4]+ C39H70O5 HMDB0007111 LMGL02010062 9543728 257891-89-7 - - DG(18:1_18:2) 636.566066 618.522325 [M+NH4]+ C39H70O5 HMDB0007219 LMGL02010056 9543722 91125-76-7 - - DG(18:2_18:2) 634.550416 616.506675 [M+NH4]+ C39H68O5 HMDB0007248 LMGL02010063 9543729 - - - DG(18:0_20:4) 662.581716 644.537975 [M+NH4]+ C41H72O5 HMDB0007170 LMGL02010111 6438587 - - - DG(18:2_18:3) 632.534766 614.491025 [M+NH4]+ C39H66O5 HMDB0007250 LMGL02010071 9543737 - - - DG(18:1_20:4) 660.566066 642.522325 [M+NH4]+ C41H70O5 HMDB0007228 LMGL02010121 9543786 - - - DG(16:0_22:5) 660.55707 642.522325 [M+NH4]+ C41H70O5 HMDB0007119 LMGL02010150 53478030 - - - DG(16:0_22:6) 658.550416 640.506675 [M+NH4]+ C41H68O5 HMDB0007121 LMGL02010162 9543827 - - - DG(18:0_22:6) 686.56982 668.537975 [M+NH4]+ C43H72O5 HMDB0007179 LMGL02010216 9543881 - - - DG(18:1_22:6) 684.560826 666.522325 [M+NH4]+ C43H70O5 HMDB0007208 - 53478083 - - - MG(16:0) 348.320751 330.27701 [M+NH4]+ C19H38O4 HMDB0011564 LMGL01010001 3084463 32899-41-5 - - MG(18:0) 376.352051 358.30831 [M+NH4]+ C21H42O4 HMDB0011131 LMGL01010003 15560610 22610-61-3 - - HexCer(d16:1/18:0) 700.6 699.564919 [M+H]+ C40H77NO8 - LMSP0501AA49 70699230 - - - HexCer(d16:1/24:0) 784.7 783.658819 [M+H]+ C46H89NO8 - LMSP0501AA51 70699232 - - - HexCer(d16:1/24:1) 782.7 781.643169 [M+H]+ C46H87NO8 - - - - - - HexCer(d18:1/16:0) 700.572744 699.564919 [M+H]+ C40H77NO8 HMDB0004971 LMSP0501AA03 14035030 - - - HexCer(d18:1/17:0) 714.588394 713.580569 [M+H]+ C41H79NO8 - - - - - - HexCer(d18:1/18:0) 728.604025 727.596219 [M+H]+ C42H81NO8 HMDB0004972 LMSP0501AA05 11958364 - - - HexCer(d18:1/20:0) 756.635325 755.627519 [M+H]+ C44H85NO8 HMDB0004973 LMSP0501AA06 20057356 - - - HexCer(d18:1/22:0) 784.666625 783.658819 [M+H]+ C46H89NO8 HMDB0004974 LMSP0501AA07 10373084 - - - HexCer(d18:1/23:0) 798.682294 797.674469 [M+H]+ C47H91NO8 - LMSP0501AA32 52931253 - - - HexCer(d18:1/24:0) 812.697925 811.690119 [M+H]+ C48H93NO8 HMDB0004978 LMSP0501AA09 6321361 - - - HexCer(d18:1/25:0) 826.713594 825.705769 [M+H]+ C49H95NO8 HMDB0004979 - 20057360 - - - HexCer(d18:1/26:0) 840.729225 839.721419 [M+H]+ C50H97NO8 HMDB0004977 LMSP0501AA11 20057359 - - - HexCer(d18:1/16:1) 698.557125 697.549269 [M+H]+ C40H75NO8 - - - - - - HexCer(d18:1/22:1) 782.651025 781.643169 [M+H]+ C46H87NO8 - - - - - - HexCer(d18:1/24:1) 810.682325 809.674469 [M+H]+ C48H91NO8 HMDB0004975 LMSP0501AA08 20057357 - - - HexCer(d18:2/24:0) 810.7 809.674469 [M+H]+ C48H91NO8 - - - - - - HexCer(d18:2/24:1) 808.7 807.658819 [M+H]+ C48H89NO8 - - - - - - Hex2Cer(d18:1/16:0) 862.6 861.617744 [M+H]+ C46H87NO13 HMDB0004868 LMSP0501AB03 53477895 - - - Hex2Cer(d18:1/18:0) 890.7 889.649044 [M+H]+ C48H91NO13 HMDB0004869 LMSP0501AB04 10260120 - - - Hex2Cer(d18:1/22:0) 946.7 945.711644 [M+H]+ C52H99NO13 HMDB0004871 LMSP0501AB06 52921641 - - - Hex2Cer(d18:1/24:0) 974.8 973.742944 [M+H]+ C54H103NO13 HMDB0004875 LMSP0501AB07 53481001 - - - Hex2Cer(d18:2/16:0) 860.6 859.602094 [M+H]+ C46H85NO13 - - - - - - Hex3Cer(d18:1/16:0) 1024.7 1023.670569 [M+H]+ C52H97NO18 HMDB0004879 LMSP0502AA01 20057315 - - - Hex3Cer(d18:1/18:0) 1052.7 1051.701869 [M+H]+ C54H101NO18 HMDB0004880 LMSP0502AA02 14215292 - - - Hex3Cer(d18:1/22:0) 1108.8 1107.764469 [M+H]+ C58H109NO18 HMDB0004882 LMSP0502AA04 20057317 - - - Hex3Cer(d18:1/24:0) 1136.8 1135.795769 [M+H]+ C60H113NO18 HMDB0004886 LMSP0502AA05 14184732 - - - SHexCer(d18:1:/16:0(OH)) 796.8 795.516649 [M+H]+ C40H77NO12S - - - - - - SHexCer(d18:1:/16:0) 780.8 779.521734 [M+H]+ C40H77NO11S HMDB0012313 LMSP06020002 24779578 862509-48-6 - - LPC(14:0) 468.309017 467.301191 [M+H]+ C22H46NO7P HMDB0010379 LMGP01050012 460604 20559-16-4 - - LPC(0:0/15:0) 482.32181 481.316841 [M+H]+ C23H48NO7P - - - - - - LPC(15:0/0:0) 482.32181 481.316841 [M+H]+ C23H48NO7P HMDB0010381 LMGP01050016 24779458 - - - LPC(0:0/16:0) 496.340317 495.332491 [M+H]+ C24H50NO7P - LMGP01050074 - - - - LPC(16:0/0:0) 496.340317 495.332491 [M+H]+ C24H50NO7P HMDB0010382 LMGP01050018 460602 17364-16-8 - - LPC(0:0/17:0) 510.35565 509.348141 [M+H]+ C25H52NO7P - - - - - - LPC(17:0/0:0) 510.35565 509.348141 [M+H]+ C25H52NO7P HMDB0012108 LMGP01050024 24779463 50930-23-9 - - LPC(0:0/18:0) 524.371617 523.363791 [M+H]+ C26H54NO7P HMDB0011128 LMGP01050076 24779491 4421-58-3 - - LPC(18:0/0:0) 524.371617 523.363791 [M+H]+ C26H54NO7P HMDB0010384 LMGP01050026 497299 19420-57-6 - - LPC(0:0/19:0) 538.387627 537.379441 [M+H]+ C27H56NO7P - - - - - - LPC(19:0/0:0) 538.387627 537.379441 [M+H]+ C27H56NO7P - LMGP01050041 24779472 - - - LPC(0:0/20:0) 552.402917 551.395091 [M+H]+ C28H58NO7P - - - - - - LPC(20:0/0:0) 552.402917 551.395091 [M+H]+ C28H58NO7P HMDB0010390 LMGP01050045 24779473 108341-80-6 - - LPC(22:0) 580.434217 579.426391 [M+H]+ C30H62NO7P HMDB0010398 LMGP01050053 24779479 - - - LPC(24:0) 608.465517 607.457691 [M+H]+ C32H66NO7P HMDB0010405 LMGP01050057 24779481 - - - LPC(26:0) 636.496817 635.488991 [M+H]+ C34H70NO7P HMDB0029205 - 131750810 - - - LPC(15:1) 480.30682 479.301191 [M+H]+ C23H46NO7P - LMGP01050125 52924041 - - - LPC(16:1) 494.324667 493.316841 [M+H]+ C24H48NO7P HMDB0010383 LMGP01050021 24779461 76790-27-7 - - LPC(17:1) 508.33932 507.332491 [M+H]+ C25H50NO7P - LMGP01050002 42607442 - - - LPC(0:0/18:1) 522.355967 521.348141 [M+H]+ C26H52NO7P - LMGP01050079 24779492 - - - LPC(18:1/0:0) 522.355967 521.348141 [M+H]+ C26H52NO7P HMDB0010385 LMGP01050029 53480465 - - - LPC(19:1) 536.37085 535.363791 [M+H]+ C27H54NO7P - LMGP01050130 52924049 - - - LPC(0:0/20:1) 550.387267 549.379441 [M+H]+ C28H56NO7P - - - - - - LPC(20:1/0:0) 550.387267 549.379441 [M+H]+ C28H56NO7P HMDB0010391 LMGP01050047 52924051 - - - LPC(0:0/22:1) 578.418567 577.410741 [M+H]+ C30H60NO7P - - - - - - LPC(22:1/0:0) 578.418567 577.410741 [M+H]+ C30H60NO7P HMDB0010399 LMGP01050134 53480471 - - - LPC(24:1) 606.449867 605.442041 [M+H]+ C32H64NO7P HMDB0010406 LMGP01050144 53480477 - - - LPC(0:0/18:2) 520.340317 519.332491 [M+H]+ C26H50NO7P - - - - - - LPC(18:2/0:0) 520.340317 519.332491 [M+H]+ C26H50NO7P HMDB0010386 LMGP01050034 11005824 22252-07-9 - - LPC(0:0/20:2) 548.371617 547.363791 [M+H]+ C28H54NO7P - - - - - - LPC(20:2/0:0) 548.371617 547.363791 [M+H]+ C28H54NO7P HMDB0010392 LMGP01050132 52924053 - - - LPC(22:2) 576.402917 575.395091 [M+H]+ C30H58NO7P HMDB0010400 LMGP01050135 52924059 - - - LPC(18:3) 518.324667 517.316841 [M+H]+ C26H48NO7P HMDB0010388 LMGP01050038 24779469 - - - LPC(20:3) 546.355967 545.348141 [M+H]+ C28H52NO7P HMDB0010393 LMGP01050133 53480467 1199257-41-4 - - LPC(20:4) 544.340317 543.332491 [M+H]+ C28H50NO7P HMDB0010395 LMGP01050048 24779476 60701-99-7 - - LPC(0:0/22:4) 572.371617 571.363791 [M+H]+ C30H54NO7P - - - - - - LPC(22:4/0:0) 572.371617 571.363791 [M+H]+ C30H54NO7P HMDB0010401 LMGP01050124 52924039 - - - LPC(20:5) 542.324667 541.316841 [M+H]+ C28H48NO7P HMDB0010397 LMGP01050050 11757087 - - - LPC(0:0/22:5) 570.363792 569.348141 [M+H]+ C30H52NO7P - - - - - - LPC(22:5/0:0) 570.363792 569.348141 [M+H]+ C30H52NO7P HMDB0010402 LMGP01050142 53480475 - - - LPC(22:6) 568.340317 567.332491 [M+H]+ C30H50NO7P HMDB0010404 LMGP01050056 10415542 162440-05-3 - - LPC(O-14:0) 454.329725 453.321926 [M+H]+ C22H48NO6P - LMGP01060007 15298292 - - - LPC(O-16:0) 482.361025 481.353226 [M+H]+ C24H52NO6P - LMGP01060010 162126 - - - LPC(O-18:0) 510.392325 509.384526 [M+H]+ C26H56NO6P HMDB0011149 LMGP01060014 2733532 74430-89-0 - - LPC(O-20:0) 538.423625 537.415826 [M+H]+ C28H60NO6P - LMGP01060041 52924061 - - - LPC(O-22:0) 566.454925 565.447126 [M+H]+ C30H64NO6P - - - - - - LPC(O-14:1) 452.314102 451.306276 [M+H]+ C22H46NO6P - LMGP01070001 10813490 - - - LPC(O-16:1) 480.345402 479.337576 [M+H]+ C24H50NO6P - LMGP01060028 24779503 - - - LPC(O-18:1) 508.376725 507.368876 [M+H]+ C26H54NO6P - LMGP01060034 21672239 - - - LPC(O-20:1) 536.408025 535.400176 [M+H]+ C28H58NO6P - - - - - - LPC(O-22:1) 564.439325 563.431476 [M+H]+ C30H62NO6P - - - - - - LPC(O-18:2) 506.361025 505.353226 [M+H]+ C26H52NO6P HMDB0010408 LMGP01070012 24779513 - - - LPC(O-20:2) 534.392325 533.384526 [M+H]+ C28H56NO6P - - - - - - LPC(O-20:3) 532.376725 531.368876 [M+H]+ C28H54NO6P - - - - - - LPE(0:0/16:0) 454.293364 453.285541 [M+H]+ C21H44NO7P HMDB0011473 LMGP02050036 53480922 - - - LPE(16:0/0:0) 454.293364 453.285541 [M+H]+ C21H44NO7P HMDB0011503 LMGP02050002 9547069 53862-35-4 - - LPE(17:0) 468.30493 467.301191 [M+H]+ C22H46NO7P - LMGP02050030 52925149 - - - LPE(0:0/18:0) 482.324664 481.316841 [M+H]+ C23H48NO7P HMDB0011129 LMGP02050038 53480667 899443-67-5 - - LPE(18:0/0:0) 482.324664 481.316841 [M+H]+ C23H48NO7P HMDB0011130 LMGP02050001 9547068 69747-55-3 - - LPE(20:0) 510.355965 509.348141 [M+H]+ C25H52NO7P HMDB0011481 LMGP02050045 53480930 - - - LPE(22:0) 538.387265 537.379441 [M+H]+ C27H56NO7P HMDB0011490 LMGP02050054 53480939 - - - LPE(24:0) 566.418565 565.410741 [M+H]+ C29H60NO7P HMDB0011497 LMGP02050061 53480946 - - - LPE(16:1) 452.277714 451.269891 [M+H]+ C21H42NO7P HMDB0011474 LMGP02050037 53480923 - - - LPE(17:1) 466.29028 465.285541 [M+H]+ C22H44NO7P - LMGP02050008 42607464 - - - LPE(0:0/18:1) 480.309014 479.301191 [M+H]+ C23H46NO7P HMDB0011476 LMGP02050040 53480925 - - - LPE(18:1/0:0) 480.309014 479.301191 [M+H]+ C23H46NO7P HMDB0011506 LMGP02050004 9547071 89576-29-4 - - LPE(0:0/20:1) 508.340315 507.332491 [M+H]+ C25H50NO7P HMDB0011482 LMGP02050046 53480931 - - - LPE(20:1/0:0) 508.340315 507.332491 [M+H]+ C25H50NO7P HMDB0011512 LMGP02050020 52925139 - - - LPE(0:0/18:2) 478.293364 477.285541 [M+H]+ C23H44NO7P HMDB0011477 LMGP02050041 53480926 - - - LPE(0:0/20:2) 506.324664 505.316841 [M+H]+ C25H48NO7P HMDB0011483 LMGP02050047 53480932 - - - LPE(20:2/0:0) 506.324664 505.316841 [M+H]+ C25H48NO7P HMDB0011513 LMGP02050021 52925140 - - - LPE(0:0/20:3) 504.309014 503.301191 [M+H]+ C25H46NO7P - LMGP02050049 53480934 - - - LPE(20:3/0:0) 504.309014 531.332491 [M+H]+ C27H50NO7P HMDB0011516 LMGP02050022 52925141 - - - LPE(22:3) 532.340316 531.332491 [M+H]+ C27H50NO7P - - - - - - LPE(20:4) 502.293364 501.285541 [M+H]+ C25H44NO7P HMDB0011487 LMGP02050051 53480936 - - - LPE(22:4) 530.324664 529.316841 [M+H]+ C27H48NO7P HMDB0011493 LMGP02050057 53480942 - - - LPE(20:5) 500.277714 499.269891 [M+H]+ C25H42NO7P - LMGP02050053 53480938 - - - LPE(0:0/22:5) 528.309014 527.301191 [M+H]+ C27H46NO7P HMDB0011494 LMGP02050058 53480943 - - - LPE(22:5/0:0) 528.309014 527.301191 [M+H]+ C27H46NO7P HMDB0011524 LMGP02050069 53480954 - - - LPE(22:6) 526.293364 525.285541 [M+H]+ C27H44NO7P HMDB0011496 LMGP02050060 53480945 - - - LPE(P-16:0) 438.3 437.290626 [M+H]+ C21H44NO6P HMDB0011152 LMGP02070001 42607469 174062-72-7 - - LPE(P-17:0) 452.31046 451.306276 [M+H]+ C22H46NO6P - - - - - - LPE(P-18:0) 466.3 465.321926 [M+H]+ C23H48NO6P HMDB0240598 LMGP02070002 42607470 174062-73-8 - - LPE(P-20:0) 494.3 493.353226 [M+H]+ C25H52NO6P - LMGP02070004 52925153 - - - LPE(P-22:0) 522.38904 521.384526 [M+H]+ C27H56NO6P - - - - - - LPE(P-16:1) 436.27997 435.274976 [M+H]+ C21H42NO6P - - - - - - LPE(P-18:1) 464.3 463.306276 [M+H]+ C23H46NO6P - - - - - - PC(O-16:0_14:0) 692.559419 691.551591 [M+H]+ C38H78NO7P - LMGP01020178 24779275 - - - PC(O-16:0_16:0) 720.590719 719.582891 [M+H]+ C40H82NO7P - LMGP01020029 145911 - - - PC(O-18:0_16:0) 748.622019 747.614191 [M+H]+ C42H86NO7P - LMGP01020086 11803170 - - - PC(O-16:0_22:0) 804.684619 803.676791 [M+H]+ C46H94NO7P HMDB0013408 LMGP01020060 24779329 - - - PC(O-16:0_14:1) 690.543769 689.535941 [M+H]+ C38H76NO7P HMDB0013403 LMGP01020179 52923736 - - - PC(O-16:0_16:1) 718.575066 717.567241 [M+H]+ C40H80NO7P HMDB0013404 LMGP01020182 52923742 - - - PC(O-18:1_16:0) 746.606325 745.598541 [M+H]+ C42H84NO7P HMDB0013426 LMGP01020152 53481719 - - - PC(O-18:1_22:0) 830.700225 829.692441 [M+H]+ C48H96NO7P - LMGP01020268 53481731 - - - PC(O-16:0_18:2) 744.590719 743.582891 [M+H]+ C42H82NO7P HMDB0011151 LMGP01020039 6443157 88542-95-4 - - PC(O-18:0_18:2) 772.622019 771.614191 [M+H]+ C44H86NO7P HMDB0013418 LMGP01020203 6443070 - - - PC(O-18:1_20:1) 800.653325 799.645491 [M+H]+ C46H90NO7P - LMGP01020266 53481737 - - - PC(O-18:1_22:1) 828.684625 827.676791 [M+H]+ C48H94NO7P - - - - - - PC(O-18:1_24:1) 856.715925 855.708091 [M+H]+ C50H98NO7P - - - - - - PC(O-16:1_18:2) 742.575025 741.567241 [M+H]+ C42H80NO7P - LMGP01020257 53481709 - - - PC(O-18:1_18:2) 770.606325 769.598541 [M+H]+ C44H84NO7P - LMGP01020053 16759365 155575-01-2 - - PC(O-18:0_20:3) 798.637625 797.629841 [M+H]+ C46H88NO7P - LMGP01020211 52923798 - - - PC(O-16:0_20:4) 768.590725 767.582891 [M+H]+ C44H82NO7P - LMGP01020054 53481735 - - - PC(O-18:0_20:4) 796.622025 795.614191 [M+H]+ C46H86NO7P - LMGP01020100 6443065 - - - PC(O-20:0_20:4) 824.653325 823.645491 [M+H]+ C48H90NO7P HMDB0013442 LMGP01020238 52923852 - - - PC(O-20:0_22:4) 852.684625 851.676791 [M+H]+ C50H94NO7P - LMGP01020243 53481763 - - - PC(O-24:0_20:4) 880.715925 879.708091 [M+H]+ C52H98NO7P - LMGP01020254 53481765 - - - PC(O-16:1_20:4) 766.575025 765.567241 [M+H]+ C44H80NO7P - LMGP01020259 53481713 - - - PC(O-18:1_20:4) 794.606325 793.598541 [M+H]+ C46H84NO7P - LMGP01020104 24779379 - - - PC(O-20:1_20:4) 822.637669 821.629841 [M+H]+ C48H88NO7P - LMGP01020274 53481743 - - - PC(O-22:1_20:4) 850.668969 849.661141 [M+H]+ C50H92NO7P - - 53481757 - - - PC(O-24:1_20:4) 878.700225 877.692441 [M+H]+ C52H96NO7P - - 53481767 - - - PC(O-16:1_20:5) 764.559419 763.551591 [M+H]+ C44H78NO7P - - - - - - PC(O-18:2_20:4) 792.590719 791.582891 [M+H]+ C46H82NO7P HMDB0013409 LMGP01020064 16759366 132213-85-5 - - PC(O-22:2_20:4) 848.653325 847.645491 [M+H]+ C50H90NO7P - LMGP01020244 52923864 - - - PC(O-16:1_22:6) 790.575069 789.567241 [M+H]+ C46H80NO7P - - - - - - PC(O-18:1_22:6) 818.606369 817.598541 [M+H]+ C48H84NO7P - - - - - - PE(P-18:0_16:0) 704.559416 703.551591 [M+H]+ C39H78NO7P HMDB0011371 LMGP02030040 52925073 - - - PE(P-18:0_18:0) 732.590716 731.582891 [M+H]+ C41H82NO7P HMDB0011373 LMGP02030045 52925078 - - - PE(P-18:0_20:0) 760.622016 759.614191 [M+H]+ C43H86NO7P HMDB0011380 LMGP02030052 52925085 - - - PE(P-16:0_18:1) 702.543766 701.535941 [M+H]+ C39H76NO7P HMDB0011342 LMGP02030095 52925128 65289-02-3 - - PE(P-18:0_18:1) 730.575066 729.567241 [M+H]+ C41H80NO7P HMDB0011375 LMGP02030004 42607457 144371-68-6 - - PE(P-15:0_20:3) 712.528116 711.520291 [M+H]+ C40H74NO7P - - - - - - PE(P-18:1_18:2) 726.543766 725.535941 [M+H]+ C41H76NO7P HMDB0011377 LMGP02030047 52925080 - - - PE(P-17:0_20:3) 740.559416 739.551591 [M+H]+ C42H78NO7P - - - - - - PE(P-18:0_20:3) 754.575066 753.567241 [M+H]+ C43H80NO7P HMDB0011383 LMGP02030055 53480854 - - - PE(P-18:0_22:3) 782.606366 781.598541 [M+H]+ C45H84NO7P - - 53480883 - - - PE(P-15:0_20:4) 710.512466 709.504641 [M+H]+ C40H72NO7P - - - - - - PE(P-16:0_20:4) 724.528116 723.520291 [M+H]+ C41H74NO7P HMDB0011352 LMGP02030093 52925126 97859-69-3 - - PE(P-17:0_20:4) 738.543766 737.535941 [M+H]+ C42H76NO7P - - - - - - PE(P-18:0_20:4) 752.559416 751.551591 [M+H]+ C43H78NO7P HMDB0005779 LMGP02030003 9547058 144371-69-7 - - PE(P-18:0_22:4) 780.590716 779.582891 [M+H]+ C45H82NO7P HMDB0011391 LMGP02030061 52925094 - - - PE(P-16:0_20:5) 722.512466 721.504641 [M+H]+ C41H72NO7P HMDB0011354 LMGP02030028 52925061 - - - PE(P-18:1_20:4) 750.543766 749.535941 [M+H]+ C43H76NO7P - - 85366510 - - - PE(P-18:0_22:5) 778.575066 777.567241 [M+H]+ C45H80NO7P HMDB0011418 - 53480878 - - - PE(P-16:0_22:6) 748.528116 747.520291 [M+H]+ C43H74NO7P HMDB0005780 LMGP02030001 5283497 206059-97-4 - - PE(P-18:0_22:6) 776.559416 775.551591 [M+H]+ C45H78NO7P HMDB0011394 LMGP02030005 42607458 206059-98-5 - - PE(P-20:0_22:6) 804.590716 803.582891 [M+H]+ C47H82NO7P - LMGP02030092 52925125 - - - PE(P-18:1_22:6) 774.543766 773.535941 [M+H]+ C45H76NO7P HMDB0011460 LMGP02030006 52925039 - - - SM(d18:0/13:0) 663.544101 662.536275 [M+H]+ C36H75N2O6P - LMSP03010033 52931129 - - - SM(d18:0/14:0) 677.559751 676.551925 [M+H]+ C37H77N2O6P HMDB0012085 LMSP03010030 44260138 871577-10-5 - - SM(d18:0/16:0) 705.591051 704.583225 [M+H]+ C39H81N2O6P HMDB0010168 LMSP03010004 9939965 60322-02-3 - - SM(d18:0/17:0) 719.606701 718.598875 [M+H]+ C40H83N2O6P - LMSP03010046 52931153 - - - SM(d18:0/18:0) 733.622351 732.614525 [M+H]+ C41H85N2O6P HMDB0012087 LMSP03010020 44260130 - - - SM(d18:0/22:0) 789.684952 788.677125 [M+H]+ C45H93N2O6P HMDB0012091 LMSP03010022 44260132 221097-58-1 - - SM(d18:1/12:0) 647.512801 646.504975 [M+H]+ C35H71N2O6P HMDB0012096 LMSP03010002 44260123 - - - SM(d18:1/14:0) 675.544101 674.536275 [M+H]+ C37H75N2O6P HMDB0012097 LMSP03010028 11433862 121999-55-1 - - SM(d18:1/15:0) 689.559751 688.551925 [M+H]+ C38H77N2O6P - LMSP03010038 52931139 - - - SM(d18:1/16:0) 703.575401 702.567575 [M+H]+ C39H79N2O6P HMDB0010169 LMSP03010003 9939941 6254-89-3 - - SM(d18:1/17:0) 717.591051 716.583225 [M+H]+ C40H81N2O6P - LMSP03010044 46891763 - - - SM(d18:1/18:0) 731.606701 730.598875 [M+H]+ C41H83N2O6P HMDB0001348 LMSP03010001 6453725 58909-84-5 - - SM(d18:1/19:0) 745.622351 744.614525 [M+H]+ C42H85N2O6P - LMSP03010055 52931171 - - - SM(d18:1/20:0) 759.638001 758.630175 [M+H]+ C43H87N2O6P HMDB0012102 LMSP03010005 44260124 121999-68-6 - - SM(d18:1/21:0) 773.653651 772.645825 [M+H]+ C44H89N2O6P HMDB0240611 LMSP03010067 52931193 121999-71-1 - - SM(d18:1/22:0) 787.669301 786.661475 [M+H]+ C45H91N2O6P HMDB0012103 LMSP03010006 44260125 94359-12-3 - - SM(d18:1/23:0) 801.684951 800.677125 [M+H]+ C46H93N2O6P HMDB0012105 LMSP03010078 46891684 121999-74-4 - - SM(d18:1/24:0) 815.700602 814.692775 [M+H]+ C47H95N2O6P HMDB0011697 LMSP03010008 5283595 60037-60-7 - - SM(d18:1/25:0) 829.716251 828.708425 [M+H]+ C48H97N2O6P - LMSP03010027 44260137 - - - SM(d20:0/24:1) 843.731902 842.724075 [M+H]+ C49H99N2O6P - LMSP03010088 52931231 - - - SM(d18:2/14:0) 673.528451 672.520625 [M+H]+ C37H73N2O6P HMDB0240637 LMSP03010034 52931131 2292199-25-6 - - SM(d18:1/16:1) 701.559751 700.551925 [M+H]+ C39H77N2O6P HMDB0240613 LMSP03010041 52931145 222403-66-9 - - SM(d18:1/17:1) 715.575401 714.567575 [M+H]+ C40H79N2O6P - - - - - - SM(d18:1/18:1) 729.591051 728.583225 [M+H]+ C41H81N2O6P HMDB0012101 LMSP03010050 6443882 108392-10-5 - - SM(d18:1/20:1) 757.622351 756.614525 [M+H]+ C43H85N2O6P HMDB0240610 LMSP03010059 52931179 222403-67-0 - - SM(d18:1/21:1) 771.638001 770.630175 [M+H]+ C44H87N2O6P - LMSP03010064 52931187 - - - SM(d18:1/22:1) 785.653651 784.645825 [M+H]+ C45H89N2O6P HMDB0012104 LMSP03010072 52931203 222403-68-1 - - SM(d18:1/23:1) 799.669301 798.661475 [M+H]+ C46H91N2O6P HMDB0240614 LMSP03010075 52931209 2124199-71-7 - - SM(d18:1/24:1) 813.684952 812.677125 [M+H]+ C47H93N2O6P HMDB0012107 LMSP03010007 44260126 94359-13-4 - - SM(d18:1/25:1) 827.700601 826.692775 [M+H]+ C48H95N2O6P - LMSP03010083 52931221 - - - SM(d18:1/26:1) 841.716252 840.708425 [M+H]+ C49H97N2O6P HMDB0013461 LMSP03010009 44260128 - - - SM(d18:2/20:1) 755.606701 754.598875 [M+H]+ C43H83N2O6P - LMSP03010057 52931175 - - - SM(d18:2/22:1) 783.638001 782.630175 [M+H]+ C45H87N2O6P - LMSP03010070 52931199 - - - SM(d18:2/23:1) 797.653651 796.645825 [M+H]+ C46H89N2O6P - - - - - - SM(d18:2/24:1) 811.669301 810.661475 [M+H]+ C47H91N2O6P HMDB0240636 LMSP03010080 52931215 2256062-31-2 - - SM(d18:2/25:1) 825.684951 824.677125 [M+H]+ C48H93N2O6P - - - - - - SM(d18:2/26:1) 839.700601 838.692775 [M+H]+ C49H95N2O6P - - - - - - SM(d18:2/24:3) 807.638001 806.630175 [M+H]+ C47H87N2O6P - - - - - - TG(10:0_16:0_12:0) 684.61255 666.57984 [M+NH4]+ C41H78O6 HMDB0071588 - 131778392 - - - TG(14:0_14:0_16:0) 768.708116 750.67374 [M+NH4]+ C47H90O6 HMDB0042063 LMGL03012756 97045147 - - - TG(12:0_16:0_16:0) 768.70703 750.67374 [M+NH4]+ C47H90O6 HMDB0095566 LMGL03012664 101627647 - - - TG(14:0_15:0_16:0) 782.7171 764.68939 [M+NH4]+ C48H92O6 HMDB0042093 LMGL03014167 56937957 - - - TG(14:0_16:0_16:0) 796.739416 778.70504 [M+NH4]+ C49H94O6 HMDB0010411 LMGL03012786 545606 - - - TG(15:0_16:0_16:0) 810.75201 792.72069 [M+NH4]+ C50H96O6 HMDB0043019 LMGL03012900 56936694 - - - TG(16:0_16:0_16:0) 824.770716 806.73634 [M+NH4]+ C51H98O6 HMDB0005356 LMGL03010001 11147 555-44-2 - - TG(16:0_16:0_18:0) 852.802016 834.76764 [M+NH4]+ C53H102O6 HMDB0005357 LMGL03010004 99649112 - - - TG(16:0_17:0_18:0) 866.81531 848.78329 [M+NH4]+ C54H104O6 HMDB0104381 LMGL03010041 131812514 - - - TG(14:0_18:0_20:0) 880.833316 862.79894 [M+NH4]+ C55H106O6 HMDB0042155 LMGL03014348 56938029 - - - TG(16:0_18:0_18:0) 880.833316 862.79894 [M+NH4]+ C55H106O6 HMDB0005365 LMGL03010069 99647664 - - - TG(18:0_18:0_18:0) 908.864616 890.83024 [M+NH4]+ C57H110O6 HMDB0005393 LMGL03010002 11146 - - - TG(16:0_18:0_20:0) 908.8609 890.83024 [M+NH4]+ C57H110O6 HMDB0005366 LMGL03010175 131750339 - - - TG(16:0_18:0_22:0) 936.895916 918.86154 [M+NH4]+ C59H114O6 HMDB0043916 LMGL03010459 56938276 - - - TG(16:0_18:0_24:0) 964.92761 946.89284 [M+NH4]+ C61H118O6 HMDB0043917 - 131755013 - - - TG(12:0_16:0_16:1) 766.692466 748.65809 [M+NH4]+ C47H88O6 - LMGL03013322 56937112 - - - TG(12:0_14:0_18:1) 766.692466 748.65809 [M+NH4]+ C47H88O6 - LMGL03013217 56937007 - - - TG(14:0_15:0_16:1) 780.70343 762.67374 [M+NH4]+ C48H90O6 HMDB0042099 LMGL03014168 56937958 - - - TG(12:0_16:0_18:1) 794.723766 776.68939 [M+NH4]+ C49H92O6 - LMGL03013326 56937116 - - - TG(14:0_16:0_16:1) 794.723766 776.68939 [M+NH4]+ C49H92O6 HMDB0042129 LMGL03014221 56938011 - - - TG(15:0_16:0_16:1) 808.73718 790.70504 [M+NH4]+ C50H94O6 HMDB0043025 LMGL03015005 56938794 - - - TG(14:0_15:0_18:1) 808.73584 790.70504 [M+NH4]+ C50H94O6 HMDB0042100 LMGL03014173 56937963 - - - TG(16:0_16:0_16:1) 822.755064 804.72069 [M+NH4]+ C51H96O6 HMDB0005359 LMGL03010017 9543986 - - - TG(14:0_16:0_18:1) 822.755064 804.72069 [M+NH4]+ C51H96O6 HMDB0042131 LMGL03014226 56938015 - - - TG(15:0_16:0_18:1) 836.77002 818.73634 [M+NH4]+ C52H98O6 HMDB0043027 LMGL03015010 131754161 - - - TG(16:0_16:0_18:1) 850.786366 832.75199 [M+NH4]+ C53H100O6 HMDB0005360 LMGL03010005 25240460 - - - TG(16:0_18:0_18:1) 878.81744 860.78329 [M+NH4]+ C55H104O6 HMDB0005367 LMGL03010085 5365005 - - - TG(16:0_16:1_20:0) 878.817666 860.78329 [M+NH4]+ C55H104O6 HMDB0005375 LMGL03010095 9544061 - - - TG(17:0_18:0_18:1) 892.83057 874.79894 [M+NH4]+ C56H106O6 - LMGL03010119 9544084 - - - TG(17:0_17:0_19:1) 892.82593 874.79894 [M+NH4]+ C56H106O6 - LMGL03012999 56936791 - - - TG(16:0_18:0_20:1) 906.84711 888.81459 [M+NH4]+ C57H108O6 HMDB0005368 LMGL03010205 9544170 - - - TG(18:0_18:0_18:1) 906.848966 888.81459 [M+NH4]+ C57H108O6 HMDB0005395 LMGL03010188 16058371 - - - TG(16:0_20:0_18:1) 906.84589 888.81459 [M+NH4]+ C57H108O6 - - - - - - TG(14:0_14:1_16:1) 764.67267 746.64244 [M+NH4]+ C47H86O6 HMDB0042279 LMGL03014140 131753421 - - - TG(12:0_14:0_18:2) 764.67566 746.64244 [M+NH4]+ C47H86O6 - LMGL03013218 56937008 - - - TG(14:1_16:0_16:1) 792.708116 774.67374 [M+NH4]+ C49H90O6 HMDB0047771 LMGL03014627 56938416 - - - TG(14:0_14:1_18:1) 792.708116 774.67374 [M+NH4]+ C49H90O6 HMDB0042281 LMGL03014145 56937935 - - - TG(16:0_16:1_16:1) 820.739416 802.70504 [M+NH4]+ C51H94O6 HMDB0005376 LMGL03010018 - - - - TG(14:0_16:1_18:1) 820.739416 802.70504 [M+NH4]+ C51H94O6 HMDB0010420 LMGL03014251 53480485 - - - TG(16:0_16:1_17:1) 834.755064 816.72069 [M+NH4]+ C52H96O6 - LMGL03010025 9543994 - - - TG(15:0_16:1_18:1) 834.75488 816.72069 [M+NH4]+ C52H96O6 HMDB0043201 LMGL03015035 56938821 - - - TG(16:0_16:1_18:1) 848.770716 830.73634 [M+NH4]+ C53H98O6 HMDB0005377 LMGL03010043 9544011 - - - TG(14:0_18:0_18:2) 848.770716 830.73634 [M+NH4]+ C53H98O6 HMDB0010430 LMGL03014342 53480494 - - - TG(16:0_17:1_18:1) 862.78485 844.75199 [M+NH4]+ C54H100O6 - LMGL03010061 - - - - TG(16:0_18:1_18:1) 876.80182 858.76764 [M+NH4]+ C55H102O6 HMDB0005382 LMGL03010100 25240174 - - - TG(16:0_18:0_18:2) 876.79034 858.76764 [M+NH4]+ C55H102O6 HMDB0005369 LMGL03010104 9544069 - - - TG(14:0_18:0_20:2) 876.802016 858.76764 [M+NH4]+ C55H102O6 HMDB0042168 LMGL03014350 56938139 - - - TG(16:0_16:1_20:1) 876.802016 858.76764 [M+NH4]+ C55H102O6 HMDB0005378 LMGL03010114 9544079 - - - TG(16:0_18:1_19:1) 890.8161 872.78329 [M+NH4]+ C56H104O6 - LMGL03015729 56939511 - - - TG(16:0_18:1_20:1) 904.83606 886.79894 [M+NH4]+ C57H106O6 HMDB0005383 LMGL03010234 9544199 - - - TG(16:1_18:0_20:1) 904.81213 886.79894 [M+NH4]+ C57H106O6 HMDB0005424 LMGL03010235 9544200 - - - TG(16:0_18:1_22:1) 932.86023 914.83024 [M+NH4]+ C59H110O6 HMDB0044120 LMGL03010572 9544534 - - - TG(14:1_16:1_16:1) 790.68787 772.65809 [M+NH4]+ C49H88O6 HMDB0047909 LMGL03012845 56936639 - - - TG(14:1_16:1_18:1) 818.723766 800.68939 [M+NH4]+ C51H92O6 HMDB0047911 LMGL03014657 56938446 - - - TG(14:0_16:1_18:2) 818.723766 800.68939 [M+NH4]+ C51H92O6 HMDB0042316 LMGL03014252 56938041 - - - TG(16:1_16:1_18:1) 846.75299 828.72069 [M+NH4]+ C53H96O6 HMDB0048590 LMGL03010052 25240357 - - - TG(16:0_16:1_18:2) 846.755066 828.72069 [M+NH4]+ C53H96O6 HMDB0005379 LMGL03010053 9544021 - - - TG(16:1_17:1_18:1) 860.7666 842.73634 [M+NH4]+ C54H98O6 - LMGL03010073 9544040 - - - TG(16:1_18:1_18:1) 874.78491 856.75199 [M+NH4]+ C55H100O6 HMDB0005438 LMGL03010118 9544083 - - - TG(16:0_18:1_18:2) 874.78589 856.75199 [M+NH4]+ C55H100O6 HMDB0005384 LMGL03010121 25240361 - - - TG(17:1_18:1_18:1) 888.802014 870.76764 [M+NH4]+ C56H102O6 - LMGL03010161 - - - - TG(18:1_18:1_18:1) 902.81805 884.78329 [M+NH4]+ C57H104O6 HMDB0005453 LMGL03010250 5497163 122-32-7 - - TG(18:0_18:1_18:2) 902.817666 884.78329 [M+NH4]+ C57H104O6 HMDB0005405 LMGL03010252 9544216 - - - TG(16:0_18:1_20:2) 902.82343 884.78329 [M+NH4]+ C57H104O6 HMDB0044096 LMGL03010271 131755175 - - - TG(18:1_18:1_19:1) 916.8194 898.79894 [M+NH4]+ C58H106O6 - LMGL03013031 - - - - TG(18:1_18:1_20:1) 930.8479 912.81459 [M+NH4]+ C59H108O6 HMDB0005454 LMGL03010484 9544447 - - - TG(18:1_18:1_22:1) 958.87683 940.84589 [M+NH4]+ C61H112O6 HMDB0010466 LMGL03010976 25240385 - - - TG(18:1_20:1_20:1) 958.880266 940.84589 [M+NH4]+ C61H112O6 HMDB0005457 LMGL03010787 9544748 - - - TG(18:1_20:1_22:1) 986.91168 968.87719 [M+NH4]+ C63H116O6 HMDB0049924 LMGL03011348 131760687 - - - TG(18:1_18:1_24:1) 986.9054 968.87719 [M+NH4]+ C63H116O6 HMDB0049266 - 131760063 - - - TG(18:1_20:1_24:1) 1014.94324 996.90849 [M+NH4]+ C65H120O6 HMDB0049308 - 131760105 - - - TG(16:1_18:1_18:2) 872.77045 854.73634 [M+NH4]+ C55H98O6 HMDB0005440 LMGL03010142 25240364 - - - TG(16:0_16:0_20:4) 872.77386 854.73634 [M+NH4]+ C55H98O6 HMDB0005363 LMGL03010160 9544125 - - - TG(16:0_18:2_18:2) 872.77008 854.73634 [M+NH4]+ C55H98O6 HMDB0005390 LMGL03010141 25240363 - - - TG(18:1_18:1_18:2) 900.802016 882.76764 [M+NH4]+ C57H102O6 HMDB0005455 LMGL03010288 25240371 - - - TG(16:0_18:0_20:4) 900.802016 882.76764 [M+NH4]+ C57H102O6 HMDB0005370 LMGL03010315 9544279 - - - TG(16:0_18:1_22:3) 928.83008 910.79894 [M+NH4]+ C59H106O6 - LMGL03010636 - - - - TG(18:1_18:1_22:2) 956.86188 938.83024 [M+NH4]+ C61H110O6 HMDB0049911 LMGL03011138 131760681 - - - TG(16:1_18:2_18:2) 870.75372 852.72069 [M+NH4]+ C55H96O6 HMDB0005446 LMGL03010163 25240366 - - - TG(16:0_18:2_18:3) 870.75208 852.72069 [M+NH4]+ C55H96O6 HMDB0044263 LMGL03010167 25240367 - - - TG(16:1_18:1_18:3) 870.74597 852.72069 [M+NH4]+ C55H96O6 HMDB0048648 LMGL03010168 9544133 - - - TG(16:0_16:1_20:4) 870.755066 852.72069 [M+NH4]+ C55H96O6 HMDB0005380 LMGL03010185 9544150 - - - TG(18:1_18:2_18:2) 898.786366 880.75199 [M+NH4]+ C57H100O6 HMDB0005461 LMGL03010327 25240373 - - - TG(16:0_18:1_20:4) 898.786366 880.75199 [M+NH4]+ C57H100O6 HMDB0005385 LMGL03010355 9544319 - - - TG(18:1_18:2_20:2) 926.81464 908.78329 [M+NH4]+ C59H104O6 HMDB0049395 LMGL03010602 131760192 - - - TG(16:0_18:1_22:4) 926.81519 908.78329 [M+NH4]+ C59H104O6 HMDB0044128 LMGL03010775 9544736 - - - TG(18:0_18:1_20:4) 926.81738 908.78329 [M+NH4]+ C59H104O6 HMDB0005406 LMGL03010615 9544577 - - - TG(18:1_18:2_18:3) 896.770716 878.73634 [M+NH4]+ C57H98O6 HMDB0010481 LMGL03010373 53480537 - - - TG(16:0_16:0_22:6) 896.770716 878.73634 [M+NH4]+ C57H98O6 HMDB0010418 LMGL03010526 9544489 - - - TG(16:0_18:1_22:5) 924.80176 906.76764 [M+NH4]+ C59H102O6 HMDB0044134 LMGL03010849 9544810 - - - TG(18:0_18:2_20:4) 924.80151 906.76764 [M+NH4]+ C59H102O6 HMDB0005412 LMGL03010676 9544638 - - - TG(16:0_18:0_22:6) 924.8017 906.76764 [M+NH4]+ C59H102O6 HMDB0043939 LMGL03010853 9544814 - - - TG(18:1_18:1_22:4) 952.83209 934.79894 [M+NH4]+ C61H106O6 HMDB0010467 LMGL03011221 9545182 - - - TG(18:0_18:0_22:6) 952.83392 934.79894 [M+NH4]+ C61H106O6 HMDB0044774 LMGL03011233 101079455 - - - TG(18:2_18:2_18:3) 894.755066 876.72069 [M+NH4]+ C57H96O6 HMDB0010490 LMGL03010420 9544383 - - - TG(16:0_16:1_22:6) 894.755066 876.72069 [M+NH4]+ C57H96O6 HMDB0044079 LMGL03010586 9544548 - - - TG(15:0_18:1_22:6) 908.77136 890.73634 [M+NH4]+ C58H98O6 HMDB0043248 LMGL03015165 56938947 - - - TG(16:0_18:1_22:6) 922.786366 904.75199 [M+NH4]+ C59H100O6 HMDB0044135 LMGL03010925 9544886 - - - TG(18:0_18:1_22:6) 950.817666 932.78329 [M+NH4]+ C61H104O6 HMDB0044936 LMGL03011311 9545272 - - - TG(18:2_18:3_18:3) 892.739416 874.70504 [M+NH4]+ C57H94O6 HMDB0052637 LMGL03010471 9544434 - - - TG(16:0_18:2_22:6) 920.76624 902.73634 [M+NH4]+ C59H98O6 HMDB0044275 LMGL03010999 9544960 - - - TG(18:1_18:1_22:6) 948.79718 930.76764 [M+NH4]+ C61H102O6 HMDB0010465 LMGL03011389 9545350 - - - TG(18:0_18:2_22:6) 948.8009 930.76764 [M+NH4]+ C61H102O6 HMDB0045098 LMGL03011388 9545349 - - - TG(18:1_20:1_22:6) 976.83276 958.79894 [M+NH4]+ C63H106O6 HMDB0049322 LMGL03011766 9545727 - - - TG(18:1_20:3_22:4) 976.82965 958.79894 [M+NH4]+ C63H106O6 HMDB0049336 LMGL03011746 9545707 - - - TG(18:1_18:2_22:6) 946.78754 928.75199 [M+NH4]+ C61H100O6 HMDB0049406 LMGL03011467 9545428 - - - TG(18:2_22:5_22:6) 994.78632 976.75199 [M+NH4]+ C65H100O6 HMDB0052739 LMGL03012400 9546359 - - - SPH(d17:0) 288.29068 287.282429 [M+H]+ C17H37NO2 - LMSP01040003 3247037 - - - SPH(d17:1) 286.28244 285.266779 [M+H]+ C17H35NO2 - LMSP01040002 5283557 - - - SPH(d19:1) 314.30701 313.298079 [M+H]+ C19H39NO2 - - - - - - PE(P-16:0_16:0) 676.528116 675.520291 [M+H]+ C37H74NO7P HMDB0011158 LMGP02030013 52925046 - - - PE(P-18:1_14:0) 674.512466 673.504641 [M+H]+ C37H72NO7P - - - - - - PE(P-17:0_18:1) 716.559416 715.551591 [M+H]+ C40H78NO7P - - - - - - PE(P-16:0_20:1) 730.575066 729.567241 [M+H]+ C41H80NO7P HMDB0011348 LMGP02030025 52925058 - - - PE(P-20:0_18:1) 758.606366 757.598541 [M+H]+ C43H84NO7P - LMGP02030074 52925107 - - - PE(P-18:0_20:1) 758.606366 757.598541 [M+H]+ C43H84NO7P HMDB0011381 LMGP02030053 52925086 - - - PE(P-18:1_16:1) 700.528116 699.520291 [M+H]+ C39H74NO7P - - - - - - PE(P-16:0_20:2) 728.559416 727.551591 [M+H]+ C41H78NO7P HMDB0011349 LMGP02030026 52925059 - - - PE(P-18:0_18:2) 728.559416 727.551591 [M+H]+ C41H78NO7P HMDB0011376 LMGP02030046 52925079 205648-90-4 - - PE(P-24:1_18:1) 812.653316 811.645491 [M+H]+ C47H90NO7P - - - - - - PE(P-16:0_20:3) 726.543766 725.535941 [M+H]+ C41H76NO7P HMDB0011351 LMGP02030027 52925060 - - - PE(P-18:1_20:2) 754.575066 753.567241 [M+H]+ C43H80NO7P - - - - - - PE(P-16:1_22:2) 754.575066 753.567241 [M+H]+ C43H80NO7P - - - - - - PE(P-16:0_22:3) 754.575066 753.567241 [M+H]+ C43H80NO7P - - - - - - PE(P-14:0_20:4) 696.496816 695.488991 [M+H]+ C39H70NO7P - - - - - - PE(P-16:0_22:4) 752.559416 751.551591 [M+H]+ C43H78NO7P - LMGP02030033 52925066 - - - PE(P-18:1_20:3) 752.559416 751.551591 [M+H]+ C43H78NO7P - - - - - - PE(P-17:0_22:4) 766.575066 765.567241 [M+H]+ C44H80NO7P - - - - - - PE(P-19:0_20:4) 766.575066 765.567241 [M+H]+ C44H80NO7P - - - - - - PE(P-18:1_22:3) 780.590716 779.582891 [M+H]+ C45H82NO7P - - - - - - PE(P-16:1_20:4) 722.512466 721.504641 [M+H]+ C41H72NO7P - - - - - - PE(P-16:0_22:5) 750.543766 749.535941 [M+H]+ C43H76NO7P - - - - - - PE(P-18:0_20:5) 750.543766 749.535941 [M+H]+ C43H76NO7P HMDB0011387 LMGP02030056 52925089 - - - PE(P-16:0_24:5) 778.575066 777.567241 [M+H]+ C45H80NO7P - - - - - - PE(P-18:1_22:4) 778.575066 777.567241 [M+H]+ C45H80NO7P - - - - - - PE(P-22:1_20:4) 806.606366 805.598541 [M+H]+ C47H84NO7P - - - - - - PE(P-18:0_24:5) 806.606366 805.598541 [M+H]+ C47H84NO7P - - - - - - PE(P-14:0_22:6) 720.496816 719.488991 [M+H]+ C41H70NO7P - - - - - - PE(P-18:1_20:5) 748.528116 747.520291 [M+H]+ C43H74NO7P - - - - - - PE(P-18:2_20:4) 748.528116 747.520291 [M+H]+ C43H74NO7P - - - - - - PE(P-17:0_22:6) 762.543766 761.535941 [M+H]+ C44H76NO7P - - - - - - PE(P-18:1_22:5) 776.559416 775.551591 [M+H]+ C45H78NO7P - - - - - - PE(P-16:0_24:6) 776.559416 775.551591 [M+H]+ C45H78NO7P - - - - - - PE(P-18:0_24:6) 804.590716 803.582891 [M+H]+ C47H82NO7P - - - - - - PE(P-20:1_22:6) 802.575066 801.567241 [M+H]+ C47H80NO7P - - - - - - PE(P-22:1_22:6) 830.606366 829.598541 [M+H]+ C49H84NO7P - - - - - - PE(P-18:2_22:6) 772.528116 771.520291 [M+H]+ C45H74NO7P - - - - - - LPE(15:0) 440.277716 439.269891 [M+H]+ C20H42NO7P HMDB0011502 LMGP02050031 52925150 - - - Cer(d18:1/24:1(2OH)) 664.624384 663.616559 [M+H]+ C42H81NO4 - - 138240952 - - - Cer(d18:1/25:1(2OH)) 678.640034 677.632209 [M+H]+ C43H83NO4 - - 138211429 - - - SM(d18:1/26:0) 843.7 842.724075 [M+H]+ C49H99N2O6P - LMSP03010026 44260136 - - - DG(O-19:0_16:0) 614.608734 596.57436 [M+NH4]+ C38H76O4 - - - - - - DG(O-19:2_18:2) 634.577434 616.54306 [M+NH4]+ C40H72O4 - - - - - - MGDG(14:0_18:0) 748.593874 730.5595 [M+NH4]+ C41H78O10 - - - - - - MGDG(16:0_18:1) 774.609524 756.57515 [M+NH4]+ C43H80O10 - LMGL05010025 52922103 - - - LPC(28:0) 664.528116 663.520291 [M+H]+ C36H74NO7P - - - - - - LPC(16:2) 492.309016 491.301191 [M+H]+ C24H46NO7P - - - - - - LPC(16:3) 490.293366 489.285541 [M+H]+ C24H44NO7P - - - - - - LPC(O-24:1) 592.470601 591.462776 [M+H]+ C32H66NO6P - - - - - - LPC(O-24:0) 594.486251 593.478426 [M+H]+ C32H68NO6P - - - - - - Cer(t18:0/22:2(2OH)) 634.5768806 651.5801746 [M-H2O+H]+ C40H77NO5 - - 138250051 - - - Cer(t18:1/20:1(2OH)) 606.5455805 623.5488745 [M-H2O+H]+ C38H73NO5 - - 138188888 - - - Cer(t20:0/18:2(2OH)) 606.5455805 623.5488745 [M-H2O+H]+ C38H73NO5 - - 138241317 - - - Cer(t20:2/18:0(2OH)) 606.5455805 623.5488745 [M-H2O+H]+ C38H73NO5 - - 138310231 - - - Cer(t22:1/16:1(2OH)) 606.5455805 623.5488745 [M-H2O+H]+ C38H73NO5 - - 138237628 - - - Cer(t24:2/16:2(2OH)) 630.5455805 647.5488745 [M-H2O+H]+ C40H73NO5 - - 138161737 - - - Cer(t26:1/12:1(2OH)) 606.5455805 623.5488745 [M-H2O+H]+ C38H73NO5 - - 138255395 - - - Cer(t30:0/18:1(2OH)) 748.7177312 765.7210252 [M-H2O+H]+ C48H95NO5 - - 138194288 - - - Cer(d16:0/18:0) 522.5244511 539.5277451 [M-H2O+H]+ C34H69NO3 - - 11049813 - - - Cer(d16:0/18:1) 520.508801 537.512095 [M-H2O+H]+ C34H67NO3 - - 51348997 - - - Cer(d16:0/21:0) 564.5714013 581.5746953 [M-H2O+H]+ C37H75NO3 - - 132994312 - - - Cer(d17:0/18:0) 536.5401012 553.5433952 [M-H2O+H]+ C35H71NO3 - - 132994412 - - - Cer(d18:0/18:1) 548.5401012 565.5433952 [M-H2O+H]+ C36H71NO3 - - 6442401 - - - Cer(d18:0/19:1) 562.5557512 579.5590452 [M-H2O+H]+ C37H73NO3 - - 138231761 - - - Cer(d16:1/26:0) 632.6340015 649.6372955 [M-H2O+H]+ C42H83NO3 - - 138254529 - - - Cer(d17:1/16:0) 506.493151 523.496445 [M-H2O+H]+ C33H65NO3 - - 138198887 - - - Cer(d17:1/18:0) 534.5244511 551.5277451 [M-H2O+H]+ C35H69NO3 - - 45934169 - - - Cer(d17:1/23:1) 602.5870513 619.5903453 [M-H2O+H]+ C40H77NO3 - - - - - - Cer(d17:1/24:0) 618.6183515 635.6216455 [M-H2O+H]+ C41H81NO3 - - 138231924 - - - Cer(d17:1/24:1) 616.6027014 633.6059954 [M-H2O+H]+ C41H79NO3 - - 164285331 - - - Cer(d17:1/25:1) 630.6183515 647.6216455 [M-H2O+H]+ C42H81NO3 - - - - - - Cer(d17:1/26:0) 646.6496516 663.6529456 [M-H2O+H]+ C43H85NO3 - - 138294099 - - - Cer(d18:1/15:0) 506.493151 523.496445 [M-H2O+H]+ C33H65NO3 - - 132939178 - - - Cer(d18:1/23:1) 616.6027014 633.6059954 [M-H2O+H]+ C41H79NO3 - - - - - - Cer(d18:1/24:2) 628.6027014 645.6059954 [M-H2O+H]+ C42H79NO3 - - 164259035 - - - Cer(d18:1/25:1) 644.6340015 661.6372955 [M-H2O+H]+ C43H83NO3 - - - - - - Cer(d18:1/26:2) 656.6340015 673.6372955 [M-H2O+H]+ C44H83NO3 - - 164307826 - - - Cer(d18:2/25:0) 644.6340015 661.6372955 [M-H2O+H]+ C43H83NO3 - - 138260618 - - - Cer(d18:2/25:1) 642.6183515 659.6216455 [M-H2O+H]+ C43H81NO3 - - - - - - Cer(d18:2/26:1) 656.6340015 673.6372955 [M-H2O+H]+ C44H83NO3 - - 164271374 - - - Cer(d19:1/16:0) 534.5244511 551.5277451 [M-H2O+H]+ C35H69NO3 - - 138157469 - - - Cer(d19:1/24:1) 644.6340015 661.6372955 [M-H2O+H]+ C43H83NO3 - - 164242696 - - - Cer(d19:2/24:0) 644.6340015 661.6372955 [M-H2O+H]+ C43H83NO3 - - 138295712 - - - Cer(d19:2/24:1) 642.6183515 659.6216455 [M-H2O+H]+ C43H81NO3 - - 164244752 - - - Cer(d20:1/24:1) 658.6496516 675.6529456 [M-H2O+H]+ C44H85NO3 - - 164325119 - - - Cer(d20:1/26:0) 688.6966018 705.6998958 [M-H2O+H]+ C46H91NO3 - - 138278543 - - - Cer(d20:2/24:0) 658.6496516 675.6529456 [M-H2O+H]+ C44H85NO3 - - 138280035 - - - Cer(d20:2/24:1) 656.6340015 673.6372955 [M-H2O+H]+ C44H83NO3 - - 164498931 - - - Cer(d21:3/16:0) 558.5244511 575.5277451 [M-H2O+H]+ C37H69NO3 - - 138137370 - - - HexCer(t14:0/24:1(2OH)) 608.5612209 787.6173479 [M-H2O+H]+ C44H85NO10 - - - - - - HexCer(t14:0/24:2(2OH)) 606.5455709 785.6016979 [M-H2O+H]+ C44H83NO10 - - - - - - HexCer(t14:1/17:0(2OH)) 510.4516705 689.5077975 [M-H2O+H]+ C37H71NO10 - - - - - - HexCer(t14:1/24:0(2OH)) 608.5612209 787.6173479 [M-H2O+H]+ C44H85NO10 - - - - - - HexCer(t15:0/16:2(2OH)) 508.4360204 687.4921474 [M-H2O+H]+ C37H69NO10 - - - - - - HexCer(t16:0/22:2(2OH)) 606.5455709 785.6016979 [M-H2O+H]+ C44H83NO10 - - - - - - HexCer(t17:2/16:0(2OH)) 536.4673206 715.5234476 [M-H2O+H]+ C39H73NO10 - - - - - - HexCer(t17:2/22:2(2OH)) 616.5299208 795.5860478 [M-H2O+H]+ C45H81NO10 - - - - - - HexCer(t18:0/20:1(2OH)) 608.5612209 787.6173479 [M-H2O+H]+ C44H85NO10 - - - - - - HexCer(t18:1/20:0(2OH)) 608.5612209 787.6173479 [M-H2O+H]+ C44H85NO10 - - - - - - HexCer(t18:2/20:0(2OH)) 606.5455709 785.6016979 [M-H2O+H]+ C44H83NO10 - - - - - - HexCer(t19:1/26:1(2OH)) 704.6551213 883.7112483 [M-H2O+H]+ C51H97NO10 - - - - - - HexCer(t22:1/16:1(2OH)) 606.5455709 785.6016979 [M-H2O+H]+ C44H83NO10 - - - - - - HexCer(d18:1/23:1) 616.6032358 795.6588188 [M-H2O+H]+ C47H89NO8 - - - - - - HexCer(d18:1/25:1) 644.634536 823.690119 [M-H2O+H]+ C49H93NO8 - - - - - - HexCer(d20:1/24:1) 658.650186 837.705769 [M-H2O+H]+ C50H95NO8 - - - - - - TG(14:0_14:0_16:1) 766.69 748.65809 [M+NH4]+ C47H88O6 - - - - - - TG(14:0_18:0_18:1) 850.78 832.75199 [M+NH4]+ C53H100O6 - - - - - - TG(14:0_20:2_22:6) 920.76 902.73634 [M+NH4]+ C59H98O6 - - - - - - TG(16:0_16:0_20:2) 876.8 858.76764 [M+NH4]+ C55H102O6 - - - - - - TG(16:0_20:2_22:6) 948.79 930.76764 [M+NH4]+ C61H102O6 - - - - - - TG(18:0_17:1_18:1) 890.83 872.78329 [M+NH4]+ C56H104O6 - - - - - - TG(18:0_16:1_20:1) 904.81 886.79894 [M+NH4]+ C57H106O6 - - - - - - TG(16:0_20:1_18:2) 902.81 884.78329 [M+NH4]+ C57H104O6 - - - - - - TG(18:1_17:2_19:2) 898.78 880.75199 [M+NH4]+ C57H100O6 - - - - - - TG(17:0_18:1_20:1) 918.85 900.81459 [M+NH4]+ C58H108O6 - - - - - - TG(18:0_18:2_20:2) 928.83 910.79894 [M+NH4]+ C59H106O6 - - - - - - TG(18:1_20:1_20:2) 956.87 938.83024 [M+NH4]+ C61H110O6 - - - - - - TG(18:1_20:2_20:4) 950.81 932.78329 [M+NH4]+ C61H104O6 - - - - - - TG(20:0_18:1_22:6) 978.84 960.81459 [M+NH4]+ C63H108O6 - - - - - - Cer(t14:1/21:0) 550.5193657 567.5226597 [M-H2O+H]+ C35H69NO4 - - 138175288 - - - Cer(t16:1/26:0) 648.6289162 665.6322102 [M-H2O+H]+ C42H83NO4 - - 138172607 - - - Cer(t17:0/22:1) 606.581966 623.58526 [M-H2O+H]+ C39H77NO4 - - 138220540 - - - Cer(t17:1/22:0) 606.581966 623.58526 [M-H2O+H]+ C39H77NO4 - - 138200595 - - - Cer(t17:1/22:1) 604.5663159 621.5696099 [M-H2O+H]+ C39H75NO4 - - 138173831 - - - Cer(t17:2/16:0) 520.4724155 537.4757095 [M-H2O+H]+ C33H63NO4 - - 138148199 - - - Cer(t17:2/16:1) 518.4567654 535.4600594 [M-H2O+H]+ C33H61NO4 - - 138254895 - - - Cer(t17:2/18:0) 548.5037156 565.5070096 [M-H2O+H]+ C35H67NO4 - - 138312481 - - - Cer(t17:2/22:0) 604.5663159 621.5696099 [M-H2O+H]+ C39H75NO4 - - 138298462 - - - Cer(t17:2/22:1) 602.5506658 619.5539598 [M-H2O+H]+ C39H73NO4 - - 138170622 - - - Cer(t17:2/23:0) 618.581966 635.58526 [M-H2O+H]+ C40H77NO4 - - 138117656 - - - Cer(t17:2/24:0) 632.597616 649.60091 [M-H2O+H]+ C41H79NO4 - - 138225849 - - - Cer(t17:2/24:1) 630.581966 647.58526 [M-H2O+H]+ C41H77NO4 - - 138235958 - - - Cer(t17:2/25:0) 646.6132661 663.6165601 [M-H2O+H]+ C42H81NO4 - - 138208750 - - - Cer(t18:1/15:1) 520.4724155 537.4757095 [M-H2O+H]+ C33H63NO4 - - 138236462 - - - Cer(t21:0/22:0) 664.6602163 681.6635103 [M-H2O+H]+ C43H87NO4 - - 85303041 - - - Cer(d14:3/27:1(2OH)) 628.5663159 645.5696099 [M-H2O+H]+ C41H75NO4 - - 138230583 - - - Cer(d18:1/15:1(2OH)) 520.4724155 537.4757095 [M-H2O+H]+ C33H63NO4 - - 138258561 - - - Cer(d18:1/16:1(2OH)) 534.4880656 551.4913596 [M-H2O+H]+ C34H65NO4 - - 138214341 - - - Cer(d18:1/21:0(2OH)) 606.581966 623.58526 [M-H2O+H]+ C39H77NO4 - - 138165993 - - - Cer(d18:1/21:1(2OH)) 604.5663159 621.5696099 [M-H2O+H]+ C39H75NO4 - - 138171610 - - - Cer(d18:1/26:2(2OH)) 672.6289162 689.6322102 [M-H2O+H]+ C44H83NO4 - - 138121316 - - - Cer(d18:2/22:0(2OH)) 618.581966 635.58526 [M-H2O+H]+ C40H77NO4 - - 25245218 - - - Cer(d18:2/24:0(2OH)) 646.6132661 663.6165601 [M-H2O+H]+ C42H81NO4 - - 25245539 - - - Cer(d20:1/24:0(2OH)) 676.6602163 693.6635103 [M-H2O+H]+ C44H87NO4 - - 12988913 - - - Cer(d20:1/24:1(2OH)) 674.6445662 691.6478602 [M-H2O+H]+ C44H85NO4 - - 138217569 - - - Cer(d24:1/18:0(2OH)) 648.6289162 665.6322102 [M-H2O+H]+ C42H83NO4 - - 138122520 - - - Cer(d24:3/15:1(2OH)) 600.5350158 617.5383098 [M-H2O+H]+ C39H71NO4 - - 138151147 - - - METABOLITES_END #END