#METABOLOMICS WORKBENCH iharris_20240529_092704 DATATRACK_ID:4875 STUDY_ID:ST003240 ANALYSIS_ID:AN005307 PROJECT_ID:PR002013 VERSION 1 CREATED_ON June 4, 2024, 2:42 pm #PROJECT PR:PROJECT_TITLE Lipidomic analysis of serum and tissues following the genetic deletion of PR:PROJECT_TITLE glutamate-cysteine ligase catalytic subunit (Gclc). PR:PROJECT_SUMMARY Lipidomic studies on serum and tissue samples from wildtype and whole-body PR:PROJECT_SUMMARY deletion of Gclc, the rate-limiting enzyme in glutathione (GSH) synthesis. PR:INSTITUTE University of Rochester Medical Center PR:LAST_NAME Harris PR:FIRST_NAME Isaac PR:ADDRESS 601 Elmwood Ave, Rochester, New York, 14642-0001, USA PR:EMAIL isaac_harris@urmc.rochester.edu PR:PHONE 8572348624 #STUDY ST:STUDY_TITLE Lipidomic analysis of liver from Gclc WT and whole-body Gclc KO mice. ST:STUDY_SUMMARY We found decreased triglycerides in the liver of whole-body deletion of Gclc ST:STUDY_SUMMARY mice compared to wildtype mice. ST:INSTITUTE University of Rochester Medical Center ST:LAST_NAME Harris ST:FIRST_NAME Isaac ST:ADDRESS 601 Elmwood Ave, Rochester, New York, 14642-0001, USA ST:EMAIL isaac_harris@urmc.rochester.edu ST:PHONE 8572348624 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male and female #FACTORS #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 - Liver_CreERT2_210 Sample source:liver | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Liver_CreERT2_210.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_CreERT2_210.raw SUBJECT_SAMPLE_FACTORS - Liver_CreERT2_216 Sample source:liver | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Liver_CreERT2_216.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_CreERT2_216.raw SUBJECT_SAMPLE_FACTORS - Liver_CreERT2_223 Sample source:liver | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Liver_CreERT2_223.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_CreERT2_223.raw SUBJECT_SAMPLE_FACTORS - Liver_CreERT2_232 Sample source:liver | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Liver_CreERT2_232.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_CreERT2_232.raw SUBJECT_SAMPLE_FACTORS - Liver_FF_218 Sample source:liver | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Liver_FF_218.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_FF_218.raw SUBJECT_SAMPLE_FACTORS - Liver_FF_219 Sample source:liver | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Liver_FF_219.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_FF_219.raw SUBJECT_SAMPLE_FACTORS - Liver_FF_225 Sample source:liver | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Liver_FF_225.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_FF_225.raw SUBJECT_SAMPLE_FACTORS - Liver_FF_226 Sample source:liver | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Liver_FF_226.raw; RAW_FILE_NAME(Raw file name)=Neg_Liver_FF_226.raw #COLLECTION CO:COLLECTION_SUMMARY Mice were euthanized with CO2 inhalation. Tissues were isolated, snap frozen on CO:COLLECTION_SUMMARY dry ice, and stored at -80C. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Gclc WT (Gclc f/f) and whole-body Gclc KO (Gclc f/f Rosa26-CreERT2) were treated TR:TREATMENT_SUMMARY with 160 mg/kg i.p. injection of tamoxifen daily for five consecutive days. TR:TREATMENT_SUMMARY After approximately 14 days, mice were euthanized and tissue was isolated and TR:TREATMENT_SUMMARY stored. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tissues were homogenized with a pre-chilled BioPulverizer (59012MS, BioSpec) and SP:SAMPLEPREP_SUMMARY then placed on dry ice. The chloroform:methanol extraction solvent (v:v = 1:1) SP:SAMPLEPREP_SUMMARY was added to the homogenate to meet 50 mg/mL. The samples were then sonicated in SP:SAMPLEPREP_SUMMARY ice-cold water using BiorupterTM UCD-200 sonicator for 5 min (30 s sonication SP:SAMPLEPREP_SUMMARY and 30 s rest cycle; high voltage mode). The lipid extracts were cleared by SP:SAMPLEPREP_SUMMARY centrifugation (17,000g, 20°C, 10 min), and the lipids in the supernatant were SP:SAMPLEPREP_SUMMARY analyzed by LC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Perkin Elmer Brownlee SPP C18 (75 × 2.1mm, 2.7um) CH:SOLVENT_A 100% water; 0.1% formic acid; 10mM ammonium acetate CH:SOLVENT_B 50% acetonitrile/50% isopropanol; 0.1% formic acid; 10mM ammonium acetate CH:FLOW_GRADIENT 0–2 min 35% B, 2–8 min from 35 to 80% B, 8–22 min from 80 to 99% B, CH:FLOW_GRADIENT 22–36 min 99% B, and 36.1–40 min from 99 to 35% B. CH:FLOW_RATE 0.400 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME DeNicola Lab (Moffitt Cancer Center) #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The scan range was from m/z 250–1500, resolution was 60,000 for MS, and 30,000 MS:MS_COMMENTS for DDMS2 (top 10), and the AGC target was 3E6 for full MS and 1E5 for DDMS2, MS:MS_COMMENTS allowing ions to accumulate for up to 200 ms for MS and 50 ms for MS/MS. For MS:MS_COMMENTS MS/MS, the following settings are used: isolation window width 1.2 m/z with an MS:MS_COMMENTS offset of 0.5 m/z, stepped NCE at 10, 15, and 25 a.u., minimum AGC 5E2, and MS:MS_COMMENTS dynamic exclusion of previously sampled peaks for 8 s. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized to the median value of total lipid signals MS_METABOLITE_DATA_START Samples Liver_CreERT2_210 Liver_CreERT2_216 Liver_CreERT2_223 Liver_CreERT2_232 Liver_FF_218 Liver_FF_219 Liver_FF_225 Liver_FF_226 Factors Sample source:liver | Genotype:Gclc KO Sample source:liver | Genotype:Gclc KO Sample source:liver | Genotype:Gclc KO Sample source:liver | Genotype:Gclc KO Sample source:liver | Genotype:Gclc WT Sample source:liver | Genotype:Gclc WT Sample source:liver | Genotype:Gclc WT Sample source:liver | Genotype:Gclc WT AHexCer 43:2;3O 52.61548807 85.6486887 71.31268114 78.31563192 81.54159506 76.43177352 89.60579481 77.32087051 AHexCer 43:3;3O 0.216914779 0.333454055 0.412225583 0.468571701 0.408134646 0.33543729 0.469835282 0.375629781 AHexCer 43:5;3O 0.625434712 0.966322174 1.22139183 1.142045415 0.63095105 0.548148571 0.817827394 0.801790939 CAR 10:0 0.71037651 3.211440566 1.294866491 0.903764289 0.619506613 0.975971931 0.859317922 1.154028855 CAR 11:0 0.229033068 0.355435774 0.441137145 0.411138322 0.606733862 1.114338352 1.036663958 0.968421556 CAR 12:0 0.887946537 5.139725553 1.11872852 0.823270049 0.605421033 0.820644624 0.767067587 0.585839694 CAR 14:0 0.672228802 2.565761909 0.638202759 0.578056749 0.339674905 0.375043092 0.358009576 0.293120363 CAR 14:0_2 0.31510344 1.189341207 0.347708569 0.284748153 0.193984648 0.227188969 0.153996535 0.177457859 CAR 14:1 0.505927824 2.548031747 1.315783678 0.566372114 0.37919914 0.468122499 0.242285205 0.359245785 CAR 15:0 0.061138528 0.190105866 0.058938989 0.056643708 0.031795299 0.038434276 0.034776893 0.03134047 CAR 15:0_2 0.140093399 0.517650785 0.13206631 0.132270386 0.057469328 0.083720233 0.106681695 0.062913973 CAR 16:0 19.04390129 52.49979433 18.07465424 17.31268801 8.671570703 11.5459101 10.03210062 8.715649275 CAR 16:0_2 5.81517685 14.48251151 5.248655896 4.884796159 2.926293898 3.821603465 2.679143241 3.382844064 CAR 16:1 0.331242082 1.068551132 0.3899821 0.291365903 0.203412922 0.271567143 0.179526612 0.173344884 CAR 16:1_2 0.660364298 2.745839674 0.793475171 0.634292989 0.283652198 0.5413814 0.25242232 0.302923027 CAR 16:2 0.106166006 0.700586527 0.278785271 0.17420874 0.093060031 0.113237252 0.053050267 0.067376656 CAR 16:2_2 0.119482702 0.823002706 0.254263002 0.151991291 0.071207422 0.123230607 0.066644071 0.049662366 CAR 16:2_3 0.07287631 0.501660432 0.190113913 0.103814581 0.068451998 0.112013964 0.037101538 0.064728183 CAR 16:3 0.109742492 0.705858283 0.308083709 0.144981312 0.093221076 0.097045411 0.089621923 0.064546475 CAR 16:4 0.051843888 0.617031602 0.113141672 0.04648347 0.015895791 0.014846717 0.013496619 0.002056168 CAR 18:0 6.823663468 33.06900949 9.179002628 9.284336874 6.973882477 8.421509025 6.30346294 7.078961491 CAR 18:0_2 5.94222914 25.31855531 7.859006758 7.634322066 5.854299832 7.430351982 5.279182604 7.121574228 CAR 18:1 13.56912865 37.39919167 16.30382937 13.10556497 6.272496094 14.59062139 6.133118678 7.603496762 CAR 18:1_2 4.01767259 10.65872093 4.4714397 3.564370266 2.074905889 4.167533779 1.388836036 2.678606364 CAR 18:2 12.40473599 46.0564903 19.23866472 11.90555879 6.301439033 14.73623422 6.453228229 7.373082842 CAR 18:2_2 3.09917859 11.58870462 4.494988894 2.842121875 1.856010939 3.42530988 1.196460385 2.030821806 CAR 18:2_3 0.142285483 0.432038542 0.310874846 0.15392476 0.088256235 0.285697635 0.085453189 0.112145978 CAR 18:3 0.606476168 0.55207163 0.507920201 0.523215366 0.213028565 0.246343957 0.233157552 0.161219228 CAR 18:3_2 0.197514071 0.172444556 0.204055219 0.175149607 0.070221948 0.08588546 0.053492731 0.064891402 CAR 19:1 0.194858703 0.204802181 0.184044449 0.204456845 0.171627843 0.22830838 0.289539486 0.162830053 CAR 19:2 0.072350687 0.133723368 0.093649135 0.091765792 0.100264331 0.138782283 0.094278051 0.046668648 CAR 20:0 0.715299246 1.835761113 1.042399332 1.054056726 1.208197516 1.612684589 1.364123491 1.419460758 CAR 20:0_2 0.232525073 0.730832144 0.346348617 0.332341333 0.409118261 0.588087132 0.520535508 0.464609276 CAR 20:1 0.255786369 0.386432869 0.257662229 0.31039379 0.155458894 0.138791438 0.264619872 0.097505103 CAR 20:1_2 0.884853093 1.644138913 1.057521201 1.310215523 1.279390382 1.631880423 0.906080902 1.071698594 CAR 20:1_3 0.961595101 1.540668638 0.999003072 1.182006585 1.310800101 1.446585727 0.770313788 1.153484369 CAR 20:2 1.352262922 2.631633098 2.051550744 2.363937772 1.471783159 2.631415968 1.198852914 1.306359378 CAR 20:2_2 1.204944333 1.893013516 1.515534887 1.516439802 1.09539364 2.05446273 0.814776053 1.394180724 CAR 20:3 0.429574157 1.407230124 0.351382269 0.303518966 0.313023455 0.33071668 0.176019621 0.308077793 CAR 20:3_2 0.832143613 4.060405464 0.726464693 0.596655511 0.618835178 0.634253053 0.444885877 0.479341962 CAR 20:4 0.226252341 0.644368488 0.120560959 0.132242313 0.067260883 0.076694953 0.05530361 0.057260626 CAR 20:4_2 3.214465845 55.39811088 5.053094659 1.686863419 1.697895417 2.233913532 2.224381039 1.601867128 CAR 20:4_3 0.842213913 14.42833584 1.217038807 0.425006281 0.511985952 0.573691488 0.446277735 0.459764688 CAR 20:5 0.588549794 4.326196586 0.296641748 0.194620255 0.093959717 0.120135414 0.132832493 0.082908857 CAR 20:5_2 1.56990533 13.39203728 0.770789262 0.531792654 0.214213797 0.269032183 0.427588268 0.215071715 CAR 21:0 0.085033092 0.052073893 0.124076183 0.029580755 0.031026308 0.137632941 0.380063918 0.147991849 CAR 21:2 0.16941384 0.150951495 0.329372089 0.11273156 0.103109878 0.390281374 0.832106871 0.304287111 CAR 21:2_2 0.122429326 0.124777237 0.257498851 0.087761694 0.079828611 0.274291195 0.513402851 0.208238541 CAR 21:3 0.041275217 0.124015923 0.098105086 0.116037427 0.156432908 0.267874039 0.181065469 0.149819766 CAR 22:0 0.095580303 0.245852952 0.161081126 0.132489361 0.173134546 0.329895873 0.29604361 0.257594554 CAR 22:1 0.278717234 0.22343097 0.317095597 0.287856703 0.633443846 0.791277963 0.469619422 0.460941327 CAR 22:2 0.302181217 0.323574282 0.534174595 0.584685729 0.717564933 1.161893765 0.797503839 0.580776419 CAR 22:2_2 0.398427491 0.377022475 0.732514879 0.714925592 0.999557745 1.384891019 0.84469512 0.816055328 CAR 22:3 0.232125831 0.305136314 0.283943743 0.253985098 0.318416305 0.430198807 0.359231968 0.394258986 CAR 22:3_2 0.129589452 0.180375208 0.183485699 0.162411009 0.200413763 0.230685939 0.183767137 0.198066723 CAR 22:4 0.321757019 2.22090742 0.553666152 0.341433972 0.332251336 0.503326013 0.488476888 0.41820267 CAR 22:4_2 0.266189825 1.766292272 0.454647461 0.263157546 0.285553771 0.397795757 0.353471145 0.379866763 CAR 22:5 0.419059308 3.358952967 0.329745569 0.275379189 0.158553751 0.14683049 0.182960348 0.113562344 CAR 22:5_2 0.219637596 1.994050733 0.073663525 0.043923559 0.030669221 0.042784097 0.026200611 0.021560122 CAR 22:6 0.049599685 1.476808343 0.08725357 0.0627433 0.045972861 0.028129992 0.030540275 0.031656068 CAR 22:6_2 0.175373855 5.032798872 0.304337796 0.197096347 0.148204422 0.104878117 0.115686278 0.114216173 CAR 24:0 0.090249128 0.338516893 0.167312007 0.1605766 0.12476149 0.121933373 0.106450696 0.11633323 CAR 24:1 0.036384503 0.100321542 0.076948061 0.053007776 0.081461362 0.145229018 0.102464613 0.088531601 CAR 24:2 0.042382671 0.036550951 0.093674295 0.074034905 0.128570831 0.30240499 0.210276398 0.15038338 CAR 24:5 0.143948197 0.672581573 0.150123415 0.103461656 0.121257516 0.096170376 0.094137889 0.090993902 CAR 24:5_2 0.115748155 0.675061058 0.131033439 0.092593161 0.098667195 0.088761278 0.089330365 0.068657218 CAR 24:6 0.006177691 0.368120803 0.011304071 0 0 0 0 0 CAR 28:6 0.095199456 0.170399041 0.272224368 0.07719519 0.134439075 0.109373366 0.067970975 0.06581333 CAR 6:0 3.79291911 4.989537733 15.65587266 25.0416125 28.33543384 33.790167 26.57072392 38.85775347 CAR 7:0 2.141502669 1.688591795 6.748195825 9.13351906 10.29393246 18.95000329 15.46567827 18.85183362 CAR 8:0 1.221116358 3.021048273 3.76996094 4.363259193 4.953688634 5.253308318 4.015782194 7.308106643 CAR 9:0 0.239803404 0.182660724 0.468649217 0.82902193 0.770674579 1.249752543 0.958580286 1.323772097 CE 18:2 0.615200559 0.383672072 0.508147296 0.274245016 0.455721057 0.237812631 0.237779495 0.134183004 Cer 23:3;4O 0.063214109 0.497929402 0.061308286 0.030112549 0.039641612 0.043875689 0.027018632 0.041424941 Cer 30:1;2O|Cer 18:1;2O/12:0 4.031050943 2.503116175 3.033101207 5.097549154 3.512838873 4.488554298 6.358423226 4.711914699 Cer 33:1;2O|Cer 17:1;2O/16:0 0.503321169 1.098361207 0.462705553 0.435679063 0.598700798 0.58824418 0.525098358 0.374854175 Cer 34:0;2O|Cer 18:0;2O/16:0 0.316326715 0.487196249 0.351759017 0.412940247 0.42556873 0.414115069 0.576362164 0.529566348 Cer 34:0;2O|Cer 18:0;2O/16:0_2 2.860386577 2.576000897 3.042139235 2.960117235 1.906806177 2.603228227 3.159335894 2.301595284 Cer 34:1;2O|Cer 18:1;2O/16:0 8.299409687 33.73190605 11.77319189 10.84657515 5.32289863 6.621766993 7.758333073 5.879732634 Cer 34:2;2O|Cer 18:2;2O/16:0 0.671299849 0.997055662 1.478745603 1.000729713 0.530576465 0.704754802 0.51830756 0.358734771 Cer 35:1;2O|Cer 18:1;2O/17:0 0.550064843 2.210032626 0.553208696 0.425439818 0.394078488 0.513312678 0.503581712 0.479762122 Cer 36:0;2O|Cer 18:0;2O/18:0 0.968962683 1.088714353 0.624842749 0.49513695 0.410163507 0.677748798 1.076720628 0.88606388 Cer 36:1;2O|Cer 18:1;2O/18:0 12.80635026 28.13177149 12.22017238 7.032305298 7.547969358 9.535060374 11.29800881 10.95636093 Cer 36:2;2O|Cer 18:2;2O/18:0 0.476590351 0.743341697 0.74001422 0.352369442 0.347187669 0.400951869 0.362032776 0.292176757 Cer 37:1;2O|Cer 18:1;2O/19:0 0.204922872 0.542195005 0.201096784 0.113600237 0.203676169 0.269510019 0.254864174 0.25553711 Cer 38:0;2O|Cer 18:0;2O/20:0 0.292322801 0.293816142 0.325557231 0.252549334 0.296942462 0.401413859 0.548304767 0.527187568 Cer 38:1;2O|Cer 18:1;2O/20:0 3.284755599 7.293188795 3.84304807 2.500711566 2.78778843 3.889392078 3.483669365 3.97399441 Cer 38:2;2O|Cer 18:2;2O/20:0 0.302042232 0.4604153 0.747474351 0.308560985 0.386054715 0.495317243 0.329023786 0.350858211 Cer 40:0;2O|Cer 18:0;2O/22:0 1.385743723 1.088721041 1.491940275 1.985794757 1.207018788 1.678237902 2.082433591 1.601384806 Cer 40:1;2O|Cer 18:1;2O/22:0 29.90900485 52.8706893 25.66336057 33.36799942 21.79388492 29.83365747 30.63395037 27.1152068 Cer 40:1;3O|Cer 18:1;2O/22:0;O 0.199473491 0.164803873 0.330655254 0.146278312 0.256597825 0.220149605 0.226379941 0.203433801 Cer 40:2;2O|Cer 18:2;2O/22:0 2.054208341 3.098957275 2.718875494 2.15691901 2.049932098 2.451038017 1.538041652 1.702484218 Cer 41:0;2O|Cer 18:0;2O/23:0 1.490554282 0.913225326 1.507089591 1.67949129 1.620924121 2.220435531 2.388264642 1.702056726 Cer 41:1;2O|Cer 18:1;2O/23:0 22.22285674 32.195079 18.86666 18.94517446 19.14556545 25.14924854 16.66934554 17.69645056 Cer 41:2;2O|Cer 17:1;2O/24:1 1.281462874 3.432775659 1.265564132 0.984300238 1.542661676 1.74429053 1.192833255 1.627732134 Cer 42:0;2O|Cer 18:0;2O/24:0 2.377643403 2.95188199 2.450333322 3.386470248 2.453581632 3.54319943 3.242268112 2.906840745 Cer 42:0;4O 0.698425481 0.708200062 0.814268191 0.687043691 0.616787425 0.805039074 0.853099495 0.994825947 Cer 42:1;2O|Cer 18:1;2O/24:0 84.3918417 97.84148808 78.64189868 118.9208491 67.13500211 83.5179935 72.97495243 79.06351186 Cer 42:2;2O|Cer 18:1;2O/24:1 79.17183859 197.9029322 85.43378027 91.00028695 66.53508109 68.96046216 73.36468023 88.40274251 Cer 42:2;2O|Cer 18:2;2O/24:0 7.306154901 7.283432957 8.393577053 8.59849714 7.091404671 8.782467049 5.987109938 5.88241171 Cer 42:3;2O|Cer 18:1;2O/24:2 12.66004102 30.98270794 14.21973061 13.03446576 9.351632829 10.22008622 10.04612077 10.85113356 Cer 42:3;4O 0.462547389 0.309184853 0.377965378 0.421195089 0.302575641 0.401635347 0.471890347 0.442289169 Cer 43:0;2O|Cer 18:0;2O/25:0 0.380880601 0.237587873 0.422034752 0.419503855 0.33736886 0.467703821 0.407248596 0.321074372 Cer 43:3;4O 0.80425254 0.582521445 0.637105191 0.490236101 0.720043792 0.722977006 0.648151223 0.759275113 Cer 44:4;4O 0.826030305 0.831962607 0.692960271 0.62630645 0.700227476 0.868033834 0.803879032 0.935646868 Cer 48:7;4O 0.262660348 0.485456046 0.281959037 0.269312082 0.403644889 0.382387398 0.454859388 0.499226865 CerP 30:0;2O|CerP 13:0;2O/17:0 0.063372171 0.091599675 0.097770816 0.069117212 0.095022306 0.062420441 0.080655433 0.084030664 CerP 30:1;2O|CerP 18:1;2O/12:0 0.266689899 0.307371076 0.256088906 0.306572572 0.271168089 0.266113757 0.38005122 0.262283574 CerP 31:4;2O|CerP 15:3;2O/16:1 0.10834242 0.149598441 0.079035042 0.110303995 0.148834357 0.066136082 0.086977394 0.063583105 CerP 33:0;2O|CerP 17:0;2O/16:0 0.091467974 0.129093318 0.130150222 0.090294735 0.118864135 0.17416362 0.132727005 0.098620215 CerP 33:4;2O|CerP 15:3;2O/18:1 0.016146477 0.108451276 0.040502522 0.710830455 0.060903 0.052746465 0.08949397 0.043464214 CerP 33:5;2O|CerP 15:3;2O/18:2 0.253337094 0.881483835 0.343903513 0.580866115 0.36179293 0.219129846 0.264752709 0.221193678 CerP 34:6;2O|CerP 17:3;2O/17:3 0.087575705 0.097027235 0.068398531 0.120374799 0.035670916 0.085396003 0.197668615 0.052027757 CerP 35:1;2O|CerP 18:1;2O/17:0 0.284222141 0.492189447 0.245375934 0.204426365 0.155500704 0.150289783 0.17828908 0.125386747 CerP 36:6;2O|CerP 17:3;2O/19:3 0.053523634 0.098640749 0.066314817 0.226884045 0.084583473 0.075971333 0.116673276 0.070093986 CerP 48:5;2O|CerP 22:2;2O/26:3 6.790428957 14.69456054 5.684749912 6.41118685 9.271473766 9.291783089 11.0345034 11.75240098 CoQ2 0.495745791 1.141964643 0.713694475 0.618347985 0.688570274 0.724825671 1.20840838 0.642165958 CoQ3 0.802106104 2.026290718 1.218205974 1.01513468 1.036046276 1.187269775 2.002738296 1.118905672 CoQ4 1.594147358 4.257919881 2.268715025 2.022582808 2.209305012 2.648299739 3.984008783 2.279165514 CoQ5 1.411973785 3.449938869 1.919470383 1.629598882 1.74655185 1.984606078 3.509080769 1.864589033 CoQ6 1.051515842 2.579999862 1.55805087 1.285313034 1.329616697 1.623120216 2.645270811 1.466299319 CoQ7 0.789315031 2.094759817 1.224254199 1.018573697 1.095163531 1.273309818 2.054519287 1.105175567 CoQ8 3.595034411 7.694629981 4.263528778 5.723440115 6.08839777 6.793382976 9.832531754 4.261471627 DG 34:1|DG 16:0_18:1 0.576587183 0.21050594 1.051898411 0.912328743 0.562451977 0.384408253 0.710629002 0.359096593 DG 34:2|DG 16:0_18:2 8.545951833 4.18635359 14.99186055 15.64826342 9.101061815 6.065197665 8.599065063 5.88363011 DG 34:3|DG 16:0_18:3 0.481762442 0.056577253 0.798127174 0.932008339 0.433601794 0.373004278 0.470051142 0.37599511 DG 36:2|DG 18:0_18:2 2.043345007 2.365672007 3.057316326 2.451394265 1.515307511 0.991238384 1.141730122 0.891424582 DG 36:2|DG 18:1_18:1 1.010916134 0.603885063 4.967952576 3.86564174 1.745848206 0.814824322 2.041253668 0.736350907 DG 36:3|DG 18:1_18:2 15.78878328 8.196943137 67.84609865 60.58268849 23.71871827 9.421088233 26.81809746 8.875373079 DG 36:4|DG 16:0_20:4 5.087111058 3.423695364 3.833673158 3.922109386 3.811904345 2.660884746 3.787551816 2.55238663 DG 36:4|DG 18:2_18:2 0.564226351 0.478269397 0.416074751 0.455958632 0.64175719 0.598611142 0.526968818 0.494125017 DG 36:4|DG 18:2_18:2_2 27.74394963 19.31388474 160.6792206 144.4422764 39.95101497 18.48054659 55.28390759 15.22947302 DG 36:4|DG 18:2_18:2_3 0.948555013 0.532195231 3.627999851 3.489354389 1.204954001 0.610930646 1.553751079 0.549074445 DG 36:4|DG 18:2_18:2_4 1.03955289 0.61260339 0.433903781 0.588495317 1.583392512 0.958649411 0.560332854 0.825932588 DG 36:4|DG 18:2_18:2_5 0.70975278 0.70999338 0.336715569 0.702514653 0.892506902 0.620255313 0.54734463 0.580434043 DG 36:4|DG 18:2_18:2_6 0.70975278 0.637079544 0.59772311 0.702514653 0.687027336 0.861008554 0.641306216 0.520257483 DG 36:5|DG 18:2_18:3 2.496227129 0.649234604 4.591318722 6.356223547 3.084155155 1.448116774 2.805306052 1.473396448 DG 38:3|DG 20:1_18:2 0.187648843 0.225272288 0.877432442 0.490455075 0.338890739 0.185118281 0.270394858 0.152787981 DG 38:4|DG 18:0_20:4 6.91362168 14.52690616 7.99259509 5.99126189 6.421647586 3.780241256 3.889703383 3.263912092 DG 38:4|DG 18:0_20:4_2 0.949611369 0.401877515 0.322537039 0.25633165 1.81376256 0.392530407 0.254779198 0.834914697 DG 38:5|DG 16:0_22:5 3.96970019 2.734879109 2.878440153 3.03903053 2.578445944 1.660003726 1.922073095 1.872371232 DG 38:6|DG 16:0_22:6 39.32504123 30.2358756 31.95717687 32.95248122 21.70779506 13.27955091 17.44129196 12.60054465 DG 38:6|DG 18:2_20:4 2.561984532 1.290064456 2.076759851 2.465496038 3.042661831 1.561544174 1.921000145 1.574644414 DG 40:6|DG 18:1_22:5 0.726358794 0.517456817 0.418086905 0.636953164 1.000442255 0.433989451 0.353833028 0.514403301 DG 40:7|DG 18:1_22:6 5.756335667 11.65165566 4.942613421 4.976671838 8.758886372 2.668731538 2.181562631 2.60880853 DG 40:7|DG 18:2_22:5 1.210353857 0.722306605 0.677044388 1.239673376 2.001788842 0.694181846 0.634372326 0.670301675 DG 40:8|DG 18:2_22:6 2.798753084 6.669765694 2.471833439 3.727748611 5.146983265 1.585612385 1.195316132 1.078204375 DG 42:10|DG 20:4_22:6 1.13559273 1.190003767 0.898605477 1.030709915 1.262831517 0.433451049 0.648313851 0.520773598 DG O-29:3|DG O-16:2_13:1 0.569002948 0.89254394 0.612878308 0.64913791 0.541873483 0.621290213 0.755728102 0.602632055 DG O-31:3|DG O-18:2_13:1 0.164157949 0.190976951 0.13375367 0.154290519 0.109163323 0.090479656 0.144159279 0.084420539 DGTS 28:2 0.234049142 0.250798937 0.228324253 0.281396967 0.234131385 0.27253197 0.329188855 0.223684989 DMPE 34:2 2.105861806 1.36748244 2.319254137 2.73320993 2.767773905 3.228255561 3.667103921 3.292345235 DMPE 36:2 2.959385304 2.210212824 2.881763572 3.306080281 3.107351563 4.119848431 4.570370341 3.882953009 HexCer 34:1;2O|HexCer 18:1;2O/16:0 3.115648685 13.87108373 2.680204757 4.232215222 3.010644166 3.062983844 4.954267483 4.214591942 HexCer 34:1;2O|HexCer 18:1;2O/16:0_2 0.512497603 2.895722181 0.500907397 0.798516751 0.640012946 0.473599126 0.956064688 0.806574639 HexCer 40:1;2O|HexCer 18:1;2O/22:0 0.979774578 2.654528393 1.057760712 1.057387057 1.391679842 1.233287451 1.451392443 1.64030664 HexCer 42:1;2O|HexCer 18:1;2O/24:0 1.830487031 4.698621274 2.208578481 2.138675179 2.362867598 2.633097021 2.688264056 3.38439145 HexCer 42:2;2O|HexCer 18:1;2O/24:1 0.912529896 3.662984883 1.194228732 1.230934464 1.098814614 0.97135379 1.542437479 2.004340906 LPC 14:0/0:0 0.530034613 0.137418201 0.340472265 0.306860527 0.262374087 0.33226322 0.372998656 0.369442149 LPC 14:0/0:0_2 0.909523659 0.270442418 0.565420817 0.587580519 0.440475951 0.551422645 0.785707728 0.527642157 LPC 15:0/0:0 0.989083866 0.453643341 0.855739867 0.970591898 0.661188545 0.956346503 1.117870273 1.327723766 LPC 15:0/0:0_2 2.405171342 1.008823966 2.178983676 2.010195531 1.27896485 2.080136287 3.407823897 2.542185484 LPC 15:1/0:0 2.12085416 1.041961004 1.817979468 1.429239981 1.260848182 1.502305197 1.82849781 1.609250208 LPC 16:0 12.44898781 20.50077007 11.2175224 11.71432061 9.481580907 8.532620488 10.10473407 8.425266007 LPC 16:0/0:0 6.15741035 6.063621082 5.354089103 5.858541925 4.913279579 4.769423572 5.20488283 5.605010038 LPC 16:0/0:0_2 282.7006717 109.4572026 190.9770756 238.4867943 202.9833693 248.1295798 238.3583705 302.3818968 LPC 16:0/0:0_3 1076.368776 562.6662758 780.3492901 1031.210046 736.7892806 964.5867966 1239.235766 981.1085069 LPC 16:1 0.415834373 0.170466713 0.206066719 0.134482586 0.208343386 0.25301218 0.416187738 0.268341142 LPC 16:1/0:0 0.630229704 0.179270024 0.378659732 0.351886977 0.441907396 0.398982072 0.431409771 0.445908663 LPC 16:1/0:0_2 2.024079197 0.564556003 1.25085528 1.185229836 1.319325902 1.315816791 1.707467777 1.217295086 LPC 17:0/0:0 12.0024118 7.219646235 8.802136451 10.02649867 6.187405947 9.701783909 13.92967557 9.657855799 LPC 17:0/0:0_2 2.458746074 1.713020735 1.761183988 2.108645246 1.555877302 1.835745577 2.269985114 2.316926331 LPC 17:1/0:0 0.145142516 0.039711487 0.097879952 0.097224904 0.070726454 0.11459787 0.127513157 0.122251807 LPC 17:1/0:0_2 0.506668738 0.18186518 0.369459306 0.379397504 0.287861674 0.39180573 0.546132981 0.347184524 LPC 18:0 7.971057681 13.55974989 5.351048 8.856570557 5.506075899 3.875286587 4.575504585 4.475547455 LPC 18:0/0:0 229.2780935 166.4092286 154.3764146 213.8332809 158.6015817 153.3906441 144.8615957 202.5198195 LPC 18:0/0:0_2 910.0020841 813.87832 700.1611318 989.7323138 608.3994023 689.2665912 931.2847906 781.9508831 LPC 18:0/0:0_3 0.360930084 0.290939279 0.267607327 0.360226843 0.332876006 0.262529108 0.292771524 0.272631999 LPC 18:1 8.759203601 3.146448725 5.448068587 3.855684032 4.471743517 6.044060204 6.388786711 7.581379402 LPC 18:1_2 30.92439576 12.08910878 21.95940533 14.59133396 14.81608161 21.30519278 30.71757706 24.10773303 LPC 18:1/0:0 36.58696611 23.16838048 34.27604609 29.27787433 19.94283511 23.07884363 32.19603208 22.30491512 LPC 18:1/0:0_2 8.020805549 4.565076923 6.837881429 5.59541165 4.544495425 4.801231176 4.970539513 6.903909828 LPC 18:2 21.35064109 9.506829303 18.8074534 12.90446412 13.56583486 16.66979848 20.06386329 18.29877084 LPC 18:2_2 101.2801538 40.04885159 79.66514203 55.97293223 50.90622363 67.47440303 95.84403387 67.70286804 LPC 18:2/0:0 26.70242131 14.94336353 22.68746132 23.54295532 16.71629237 18.4339391 23.30630819 16.26239897 LPC 18:2/0:0_2 8.802024688 3.876920868 6.798729056 6.98583787 5.458878474 6.141315482 6.410662309 7.124620545 LPC 18:3 0.627483723 0.057594306 0.597461379 0.449395024 0.196154424 0.309983461 0.528517443 0.299687351 LPC 18:3_2 0.496517363 0.052114024 0.409410594 0.327135684 0.196154424 0.309983461 0.528517443 0.340321384 LPC 18:3/0:0 2.778852983 0.133257923 2.054406905 2.579972171 1.231626511 1.275572232 1.186999176 0.883470557 LPC 18:3/0:0_2 0.886316867 0.038296269 0.771745019 0.994933316 0.43618719 0.483927001 0.37147445 0.381347205 LPC 19:0/0:0 1.685610563 2.012008306 1.533864179 2.041969636 1.652753797 1.805431695 1.743710759 1.790544654 LPC 19:0/0:0_2 0.392596923 0.41509094 0.30227957 0.372270018 0.402053018 0.355149694 0.300827691 0.363287351 LPC 19:1/0:0 0.122762141 0.136454656 0.12019434 0.086862937 0.104574461 0.133921174 0.171950514 0.127351105 LPC 19:5/0:0 0.140296086 0.050695265 0.083378589 0.059250944 0.058041348 0.071196847 0.076591698 0.088270515 LPC 20:0/0:0 1.492752498 2.27506814 1.804490064 2.175509751 1.412102245 1.119154389 1.266689588 1.046537468 LPC 20:0/0:0_2 0.35207863 0.485129094 0.306738461 0.399425614 0.370967867 0.314837527 0.29121997 0.365016127 LPC 20:1/0:0 0.244345293 0.275452141 0.317658595 0.267462834 0.272401015 0.241265586 0.282241759 0.335660417 LPC 20:1/0:0_2 1.383799632 1.501725154 1.837436062 1.469469054 1.09285284 1.455358611 1.836373279 1.932944043 LPC 20:2 0.689979742 0.28576667 0.701584955 0.452578169 0.503446524 0.550649727 0.901919981 0.632138232 LPC 20:2/0:0 0.91191332 0.655375085 1.065062041 0.925125494 0.741849636 0.90687059 1.30700949 0.914703916 LPC 20:3 3.927749123 1.10030364 2.682345653 1.784413576 2.831801803 3.093721335 4.444571855 3.211701989 LPC 20:3/0:0 1.251783389 0.712928079 0.936152505 0.845953521 0.757181769 0.70970359 0.898695757 0.54073469 LPC 20:4 5.79708492 3.145224327 4.882260566 2.826820157 5.156308408 4.340624469 5.224911898 5.782785407 LPC 20:4_2 31.24668624 16.14423501 26.25014099 13.94581915 20.72309591 21.16613091 31.01022453 23.58108867 LPC 20:4/0:0 1.703705218 3.238267154 1.727240082 1.155177444 1.207265002 0.861218774 1.098565459 0.827609401 LPC 20:4/0:0_2 4.625908897 1.800224066 3.035258113 2.018288348 2.309002278 3.115582064 4.489139119 3.669729933 LPC 20:5 4.505942472 1.22203444 2.463050606 2.405730544 1.189315263 1.414090068 2.385664556 1.319629156 LPC 20:5_2 11.76546509 3.10720819 8.289281604 4.998664699 6.59437797 6.503772157 8.4171762 7.797796074 LPC 20:5/0:0 0.420085687 0.322038276 0.244973046 0.292743916 0.127210308 0.10826804 0.153526722 0.10332135 LPC 21:0/0:0 0.083260008 0.107663601 0.071625558 0.077493573 0.074172823 0.07246732 0.082524917 0.072585616 LPC 22:0/0:0 0.56965904 0.810178791 0.53599037 0.580447417 0.479186288 0.46534422 0.537697351 0.462571916 LPC 22:0/0:0_2 0.438377238 0.52043991 0.345872536 0.379347373 0.406443361 0.296005792 0.334703051 0.343157621 LPC 22:1/0:0 0.107427093 0.339796766 0.128637676 0.140408523 0.086788865 0.096259464 0.131039195 0.108616382 LPC 22:1/0:0_2 0.036290143 0.10058515 0.036439331 0.039922669 0.032697462 0.032689329 0.036766516 0.047049597 LPC 22:4 0.31873954 0.225997799 0.461103803 0.261469922 0.255953024 0.272839025 0.383339422 0.33916451 LPC 22:5 3.145680062 1.108471932 2.183342254 1.361529658 0.937883896 1.112664694 1.63472493 1.147102596 LPC 22:5_2 1.301980233 0.335860359 0.765606937 0.469384633 0.358168481 0.447872046 0.499792931 0.569586081 LPC 22:6 7.549442475 3.483334005 5.975366635 3.480933913 3.227339609 2.782874812 3.56879388 3.582444147 LPC 22:6_2 43.2439188 19.54133631 36.92976282 18.23108305 13.73445425 16.11542149 24.07029806 16.84451716 LPC 22:6/0:0 1.055241874 2.351175955 1.161850633 0.739912703 0.431725306 0.282797872 0.271070275 0.292994762 LPC 22:6/0:0_2 2.588077994 5.764041379 2.722555403 2.083826577 1.037375519 0.631203988 0.881310241 0.598543308 LPC 23:0/0:0 0.121508549 0.396417692 0.113968034 0.143765324 0.130736271 0.0776714 0.09253652 0.070550806 LPC 23:0/0:0_2 0.108385001 0.179342417 0.105469804 0.105768905 0.110343909 0.095785853 0.095698234 0.090792111 LPC 23:0/0:0_3 0.098289834 0.142673039 0.089967919 0.09283299 0.102812563 0.084569914 0.079731923 0.081351269 LPC 24:0/0:0 1.462785163 1.265685483 0.931329936 1.151492182 0.853238482 0.724955606 0.764716081 0.800667537 LPC 24:0/0:0_2 0.577939564 0.914936021 0.56535808 0.57680988 0.563725164 0.530075316 0.545235844 0.51910316 LPC 24:1/0:0 0.089927213 0.236377639 0.094472556 0.107649435 0.082667654 0.091819146 0.109620223 0.110271199 LPC 24:1/0:0_2 0.098119168 0.225415501 0.084879372 0.110762397 0.094100632 0.086532316 0.110547151 0.112544142 LPC 24:2/0:0 0.044054582 0.114755037 0.042559442 0.060543132 0.032645742 0.037676851 0.047794419 0.049308514 LPC 24:5/0:0 0.123874705 0.088170023 0.099228141 0.048158662 0.034675532 0.036982457 0.04872965 0.041799833 LPE 16:0 0.303071677 0.487679792 0.260291949 0.2375468 0.193584203 0.149851033 0.162899536 0.165307975 LPE 16:0_2 7.996089336 2.78563221 4.806987121 6.531439328 3.976199362 6.109340266 7.254108664 8.43760493 LPE 16:0_3 30.54689816 11.62043666 19.54759146 27.87437062 13.81122207 23.72043958 33.8869519 27.33314153 LPE 16:1 0.131319273 0.026582653 0.074134378 0.079781972 0.070062142 0.09146209 0.179270218 0.094596182 LPE 17:0 0.342379639 0.138153154 0.219036257 0.219485848 0.135653418 0.235073438 0.309530949 0.402515858 LPE 18:0 0.589114252 2.420233253 0.621948032 0.526274587 0.487559095 0.330409273 0.341151012 0.343649508 LPE 18:0_2 0.294219542 0.720983059 0.259630271 0.253624553 0.227810357 0.21433388 0.212808602 0.273657214 LPE 18:0_3 15.06322297 13.4020103 11.41645575 13.46644071 10.98852521 15.56132902 15.47688638 19.87524062 LPE 18:0_4 50.6830751 49.37694398 40.64465257 48.78101727 33.2083056 52.0968785 64.22474439 59.24685769 LPE 18:1 0.237278164 0.239640077 0.234415283 0.110892739 0.124118858 0.14099223 0.248669678 0.141782539 LPE 18:1_2 9.088892318 4.381700524 7.987194493 6.423961943 4.968225761 6.451004565 9.960941071 6.363495199 LPE 18:2 0.849342017 0.681990001 0.836280659 0.761894335 0.399746354 0.475528428 0.644595394 0.379333754 LPE 18:2_2 1.998991335 0.800539805 1.592249646 1.027846007 0.913406867 1.479491966 2.185725504 1.404172747 LPE 20:3 0.246810237 0.024171235 0.158406967 0.075098493 0.153261245 0.267952563 0.290136763 0.265351888 LPE 20:4 0.404859988 0.707244387 0.469799392 0.449734714 0.583856137 0.652982671 0.809451833 0.727314285 LPE 20:4_2 0.440664023 1.411186598 0.433377707 0.218448328 0.286125482 0.177926798 0.216009385 0.147461708 LPE 20:4_3 0.65613683 0.987053921 0.92664199 0.775254963 0.629588049 0.760442229 0.786330401 0.887506067 LPE 20:4_4 4.534803716 3.080942653 3.511590307 2.427258186 2.398160986 3.053286979 3.843024891 2.931168884 LPE 20:4_5 1.972799085 1.095601197 1.306191801 0.861624607 1.224418495 1.297894951 1.170943005 1.508429414 LPE 20:5 0.594958786 0.223958972 0.287001838 0.263290294 0.177223858 0.204197209 0.259356698 0.164683474 LPE 20:5_2 0.383550958 0.136734395 0.245368746 0.178029959 0.187492974 0.186582072 0.237933332 0.207887558 LPE 22:5 0.47570943 0.166844274 0.275153395 0.194441787 0.137701171 0.209025218 0.264543686 0.209369593 LPE 22:6 0.841975458 1.771301601 0.770725218 0.46432216 0.625331808 0.39891376 0.402379538 0.359418885 LPE 22:6_2 2.432799432 0.995839919 1.849741635 1.212133171 1.380773668 2.037645864 2.279354022 2.263058543 LPE 22:6_3 6.867487429 2.709517706 4.848213731 3.214533464 3.927297025 5.49578698 6.485272687 5.663183985 LPE O-16:1 0.473172948 1.576968573 0.878272854 0.573510029 0.577118249 0.716017222 0.549216555 0.548285132 LPE O-16:1_2 0.108558392 0.438891944 0.233286019 0.141912065 0.162943784 0.180986427 0.104673026 0.15592324 LPE O-18:1 0.487337523 1.923850086 0.825581737 0.56309793 0.574985328 0.556111564 0.503094806 0.494470262 LPE O-18:1_2 0.132081308 0.484035713 0.204885502 0.138631865 0.181991108 0.149980615 0.107942669 0.143316536 LPE O-18:2 0.097987677 0.368689723 0.271686857 0.128200115 0.098551366 0.149305589 0.105677117 0.119304633 LPE O-18:2_2 0.547269808 0.567618178 0.53225818 0.52666882 0.383683942 0.56720285 0.670929819 0.655700329 LPE O-20:1 0.303343175 0.934464223 0.278798994 0.27627594 0.347381233 0.258722266 0.347772345 0.320122796 LPE O-20:1_2 0.073177445 0.237637054 0.065378339 0.06139657 0.082108021 0.073380737 0.077818975 0.082290731 LPE O-22:1 0.025066061 0.053937637 0.021655652 0.022565562 0.031852284 0.032985467 0.044340172 0.055014142 NAE 13:1 0.035343135 0.018204656 0.082329054 0.406626493 0.075000968 0.071965187 0.07642028 0.112753903 NAE 13:1_2 0.034982727 0.015657106 0.077102289 0.346131889 0.079807241 0.100219481 0.057229257 0.098251061 NAE 14:1 0.084529612 0.039298765 0.101305645 0.758844338 0.110127427 0.182203729 0.155140788 0.170449353 NAE 15:0 2.574367506 3.591809282 4.551980099 2.634737354 1.599313699 2.041056563 3.526625982 1.510391541 NAE 15:0_2 0.241322022 0.302122139 0.253302997 0.305727958 0.210470732 0.253473114 0.356443859 0.188578064 NAE 15:0_3 0.381023674 0.420083745 0.31677211 0.376765805 0.475805265 0.343927417 0.407320387 0.346926945 NAE 15:0_4 2.182424291 2.58040747 2.168810503 2.610110387 1.9403674 2.207596992 3.169004173 2.003545855 NAE 15:1 0.08949561 0.099683376 0.09104915 0.106630363 0.085355562 0.092032183 0.128577805 0.084569412 NAE 16:0 0.637122419 0.822655295 0.617393728 0.298419195 0.350545154 0.34916671 0.462848648 0.410934034 NAE 16:0_2 1.687748142 2.202322697 1.05194383 0.878183221 1.296367654 0.80582326 0.608836876 1.228790822 NAE 16:0_3 8.471955124 7.299809671 2.86351793 2.922650605 5.239263465 2.853779041 2.341407407 4.178005533 NAE 16:1 0.690074783 0.743418812 1.366309393 0.602306728 0.441523984 0.42277985 0.42384051 0.339989209 NAE 16:1_2 0.078370657 0.056847156 0.046659556 0.037587748 0.075162942 0.047395548 0.035209589 0.046649521 NAE 17:0 0.153159718 0.175399715 0.16233815 0.197000496 0.127298264 0.165428413 0.232984181 0.122052885 NAE 17:0_2 0.17645576 0.22253313 0.176004329 0.222502557 0.159976215 0.187040893 0.259773767 0.154538115 NAE 17:2 0.224849884 0.234218812 0.199011764 0.227892689 0.184135179 0.175635157 0.257658144 0.167408773 NAE 17:2_2 0.162933652 0.190047243 0.124277464 0.182287521 0.143008543 0.162324769 0.237641774 0.151657885 NAE 17:2_3 0.165379861 0.203686767 0.130441687 0.199085964 0.153185058 0.175407331 0.250515231 0.14987396 NAE 17:2_4 0.230402141 0.27592388 0.217541682 0.295574938 0.229351127 0.250327566 0.338741878 0.227325523 NAE 17:2_5 0.202986616 0.230778144 0.164588182 0.237978733 0.182813678 0.205697973 0.274391197 0.185833318 NAE 17:2_6 0.145996867 0.170967567 0.106369033 0.177312478 0.130448558 0.145882565 0.203462647 0.124400105 NAE 17:2_7 0.08017474 0.106548974 0.078293309 0.08536902 0.07156296 0.078040077 0.121632194 0.078023145 NAE 17:2_8 0.193283878 0.238736336 0.160929512 0.218765961 0.178797766 0.186075009 0.2721149 0.174288171 NAE 18:0 0.133529071 0.182072526 0.167328671 0.204360994 0.118802504 0.126464539 0.163885557 0.132470486 NAE 18:0_2 0.392902486 0.544426619 0.441369794 0.232165893 0.253458371 0.282700685 0.348902435 0.328033466 NAE 18:0_3 0.429946147 0.51620055 0.350353973 0.500691914 0.372454439 0.421340004 0.570560318 0.307908837 NAE 18:0_4 0.34734734 0.407032025 0.284344018 0.35073997 0.270847238 0.327150341 0.425243111 0.30373338 NAE 18:0_5 1.215972882 1.178071396 0.692133256 1.043381538 1.036157149 1.068016791 1.188073592 0.978902596 NAE 18:0_6 1.20646227 1.165245514 0.624600951 0.999270287 1.029042973 0.938760592 1.061255387 0.868012633 NAE 18:0_7 0.397954328 0.465727581 0.317167156 0.414036721 0.347395479 0.399445823 0.503956781 0.318699736 NAE 18:1 0.12183932 0.205000477 0.126671921 0.05121307 0.06675328 0.090954323 0.087027208 0.122149796 NAE 18:1_2 0.23507518 0.259186771 0.202067245 0.278651368 0.215190599 0.228277041 0.263740804 0.200550065 NAE 18:1_3 0.057938801 0.06048612 0.049991472 0.051922932 0.058967359 0.044198942 0.078946623 0.057879389 NAE 18:2 0.087276614 0.12433658 0.064885593 0.040027344 0.027922159 0.033986211 0.030687275 0.025485013 NAE 18:2_2 0.262602097 0.253521177 0.13238751 0.13194754 0.061219825 0.068930912 0.162874629 0.084616592 NAE 18:3 0.272257485 0.369924744 0.223603958 0.216351631 0.150142231 0.162131451 0.174687345 0.191202946 NAE 18:3_2 0.459628698 1.041574642 0.532837843 0.455367482 0.138425256 0.259184256 0.450513864 0.306689162 NAE 19:0 0.389114115 0.637640595 0.222527629 0.246654679 0.235259631 0.252494553 0.237716495 0.156243301 NAE 19:0_2 0.497314484 0.922306015 0.33439888 0.380609883 0.34935218 0.370064724 0.409620126 0.175390851 NAE 19:0_3 0.274648509 0.308541178 0.238411816 0.282653862 0.218776334 0.259849071 0.352752751 0.194265203 NAE 19:0_4 0.208215255 0.269327791 0.234978281 0.280582832 0.158733379 0.224773732 0.349211086 0.172450052 NAE 19:1 0.052151836 0.107242616 0.025923065 0.029966165 0.041825015 0.041532286 0.016947936 0.010138983 NAE 19:2 0.110776025 0.128577119 0.088705994 0.122210411 0.100881568 0.111063574 0.161940864 0.098654963 NAE 19:2_2 0.121589624 0.139042731 0.100806691 0.136721657 0.110900445 0.127115621 0.165545041 0.108717118 NAE 19:2_3 0.122255935 0.144637505 0.10504437 0.144501253 0.109200178 0.127778676 0.179667752 0.11426686 NAE 20:0 0.314302572 0.337779185 0.264726987 0.33413684 0.254336997 0.277390967 0.374965326 0.262172637 NAE 20:0_2 7.147639482 8.004608804 6.308992087 8.011044958 6.515899353 6.849431685 9.240314628 5.722541265 NAE 20:0_3 0.134392278 0.169244676 0.151102045 0.165178264 0.120122766 0.146849153 0.208302403 0.119242788 NAE 20:0_4 7.245835978 7.686178016 6.253835934 7.944986165 6.18868378 6.774784349 9.319575274 6.213947676 NAE 20:0_5 1.202313151 1.401650694 1.125757989 1.389254347 1.058893959 1.200941094 1.693413928 1.040257706 NAE 20:0_6 0.326844288 0.349125718 0.292113258 0.368595584 0.277224322 0.304883962 0.441594746 0.29321313 NAE 20:0_7 0.193804732 0.216361567 0.17731004 0.219091614 0.179037785 0.1952215 0.254741593 0.175669151 NAE 20:0_8 0.291240556 0.315862779 0.264726987 0.362638365 0.262639192 0.302877192 0.395308416 0.272140432 NAE 20:1 0.06782549 0.083950729 0.068488715 0.091129323 0.081773542 0.07636325 0.123853793 0.086641201 NAE 20:1_2 0.49650544 0.692535875 0.630180284 0.713249598 0.395553911 0.541224352 0.864792071 0.430449783 NAE 20:1_3 0.307684761 0.43103762 0.399287414 0.445465522 0.256872531 0.334402038 0.564216868 0.241723802 NAE 20:1_4 0.40054361 0.554952034 0.460135302 0.534919251 0.298462172 0.435239149 0.687882639 0.357276326 NAE 20:1_5 0.451101884 0.60629176 0.525704793 0.598994444 0.37758528 0.472957903 0.762685923 0.395374099 NAE 20:1_6 0.65582786 0.242504743 0.97456772 4.377964146 1.215263998 1.594082441 0.949823796 1.537125875 NAE 20:2 0.415704585 0.504332704 0.809753425 1.191698395 0.551326533 0.70686721 0.501847507 0.511971921 NAE 20:2_2 0.501942558 0.525539338 0.374213257 0.439036666 0.54848749 0.434892304 0.415847831 0.662089115 NAE 20:2_3 0.425936354 0.497515499 0.320000118 0.513965114 0.489747453 0.422128064 0.593816541 0.388508728 NAE 20:2_4 0.092203778 0.08068593 0.107717548 0.184843021 0.105754118 0.135043401 0.119529757 0.10394617 NAE 21:0 0.261528368 0.528894235 0.151344497 0.131185542 0.188229137 0.207604387 0.186728618 0.099167252 NAE 21:0_2 0.480004347 0.921107584 0.292650769 0.221632275 0.381144382 0.408681402 0.308693393 0.207930275 NAE 21:1 0.394661603 0.783747614 0.265762798 0.244768133 0.41690697 0.347316284 0.207090755 0.163231723 NAE 21:1_2 0.40220462 0.847184957 0.26326182 0.272984511 0.42215364 0.364094769 0.25236518 0.160253626 NAE 21:2 0.34141628 0.91207647 0.269904738 0.224565165 0.328198569 0.295790642 0.207662637 0.152527214 NAE 21:2_2 0.570367252 1.445130982 0.40535263 0.336555982 0.521159031 0.477084476 0.384914418 0.191591227 NAE 21:4 0.418689703 0.376395325 0.323089254 0.507951347 0.705969981 0.327714096 0.730005118 0.684502626 NAE 21:4_2 0.664202063 0.573870004 0.531609573 0.796854393 0.976040794 0.496508136 1.088941622 0.986511375 NAE 22:1 0.447641219 0.525163992 0.333937502 0.659271678 0.687044989 0.532053564 1.27222869 1.063207416 NAE 22:4 0.245206797 0.214072116 0.176317686 0.277179509 0.384764185 0.2097756 0.393531723 0.389324182 NAE 22:4_2 0.352682944 0.314924808 0.278554255 0.402306367 0.542767904 0.274267251 0.575854258 0.543345227 NAE 22:4_3 0.576497932 0.644181209 0.849770063 0.933410816 0.819434143 0.815799361 0.60944734 0.559325641 NAE 22:4_4 0.638350804 0.187101134 0.91534086 4.183452576 1.22275756 1.542348692 0.906492598 1.479043101 NAE 22:5 0.127580979 0.154560557 0.246446709 0.376777435 0.203878095 0.233527954 0.131856239 0.141439844 NAE 22:6 0.028945725 0.018223148 0.124228778 0.052256205 0.320055251 0.167364054 0.115876743 0.154475314 NAE 22:6_2 0.093037349 0.666396239 0.076835984 0.032037997 0.021157637 0.025840465 0.026955144 0.022103014 NAE 23:0 0.058149663 0.030884177 0.026324973 0.025413028 0.043496789 0.054865211 0.040301833 0.031360873 NAE 24:1 0.275246009 0.32938427 0.214739763 0.390837097 0.446789856 0.324160081 0.771051717 0.673216015 NAE 26:3 0.158602285 0.200724527 0.061910167 0.239649112 0.14959096 0.171841344 0.139249686 0.127380115 NAE 26:4 0.474638766 0.655390823 0.321737798 0.727726754 0.451880127 0.458349927 0.430871586 0.416070949 NAE 26:5 0.622870298 1.073895676 0.9935002 0.704647044 0.777706374 0.713542475 0.622128379 0.632428965 NAE 26:6 0.054117387 0.105791201 0.08142427 0.094443211 0.063605773 0.071547213 0.071481385 0.070626677 NAE 28:4 0.055188051 0.071807866 0.066331809 0.068473123 0.09189524 0.068038623 0.067889417 0.073870642 PC 18:0 0.218056298 0.095186704 0.107811 0.116300116 0.214485716 0.190160031 0.230722535 0.259227375 PC 20:0 0.056982936 0.015716122 0.077644375 0.084798725 0.065522213 0.099146551 0.181165585 0.114962451 PC 22:0 0.035021221 0.006288416 0.047530684 0.027632046 0.017890585 0.025395377 0.060107715 0.042577989 PC 28:0 0.569691061 0.214444314 0.361598901 0.326579426 0.294908955 0.340869197 0.434939227 0.374181537 PC 29:0 0.263632223 0.262276487 0.305813419 0.264467381 0.218923133 0.290989395 0.594459237 0.502245448 PC 30:0 36.11735398 28.32945352 31.91769709 32.45631637 35.78996595 50.44009145 63.41820959 60.11609733 PC 30:1 1.761861013 0.819132397 1.028060366 0.982583738 0.82281021 1.054088772 1.209129215 1.26791126 PC 31:0 8.883419637 9.696865136 9.033891626 8.052439887 9.908686691 13.93182616 19.08388454 16.69900929 PC 31:0_2 0.216315576 0.237778694 0.236260465 0.203457024 0.13355921 0.294394812 0.41008359 0.310199632 PC 31:1 1.107560628 0.745293573 0.745934031 0.854664359 0.813385652 1.295832193 2.019895254 1.618909418 PC 32:0 0.369961401 0.393223713 0.40900117 0.374198674 0.555135874 0.763781446 0.81995718 0.774896255 PC 32:0_2 2.019471563 2.566563355 2.353124197 2.072740311 3.201490908 3.828153726 5.337606416 4.210204812 PC 32:0_3 1.45642318 1.411236565 1.623666433 1.341379629 1.946907698 2.426410628 3.076527722 2.733448681 PC 32:0_4 2.818820785 3.430651848 3.299131944 3.030770875 4.28206776 5.133935259 6.837501416 5.480551595 PC 32:0_5 0.424272959 0.435934031 0.512564689 0.432963143 0.603400534 0.738255431 0.842120428 0.845941179 PC 32:0_6 0.230309143 0.267824441 0.23420518 0.247922002 0.335487108 0.39757427 0.478668935 0.419434458 PC 32:0_7 9.89549807 12.20333188 12.80178748 11.65885519 14.93646546 17.72504469 25.74786191 18.1499119 PC 32:0_8 0.229286512 0.24099982 0.267881148 0.232353184 0.333784054 0.390128199 0.415117717 0.429203012 PC 32:0_9 371.0697267 408.3666883 399.1650456 382.6319589 506.7818149 570.5251005 759.9512723 632.2324191 PC 32:1 2.704373914 1.999172194 1.992682987 2.384896722 2.578780732 3.500263215 4.883102073 3.960683509 PC 32:1_2 126.4113167 62.27257921 79.05844004 85.22235437 89.9953588 111.2782417 159.2393604 110.4640772 PC 32:2 0.892751407 0.525632191 0.822344581 0.643354346 0.681062156 0.709271883 1.140515544 0.936318869 PC 32:2_2 1.275708953 2.659306378 1.135377967 1.530645847 1.888558195 1.12869667 0.998740491 1.005174053 PC 32:2_3 135.0727693 37.9649642 101.7195937 129.0434397 104.3407298 110.3349028 119.0059425 107.4848428 PC 32:3 1.837979291 0.127694231 1.464171047 1.80013359 0.674183353 0.931445864 0.819758901 0.789058315 PC 33:0 1.294469238 0.372595049 0.928346341 0.949541107 1.182477032 1.621907491 2.607836204 1.606139177 PC 33:0_2 7.858331094 8.138552106 7.786336566 7.092885728 7.474825057 9.785935849 14.39966517 11.83212548 PC 33:0_3 0.508296364 0.56496912 0.655915138 0.728858922 0.611622826 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1.766861006 1.762314257 PC 34:2_6 1.477839174 0.927984986 1.250005718 1.730225906 1.669568476 1.811563981 1.766861006 1.762314257 PC 34:2_7 5.566256626 3.719556628 5.252817767 6.551230817 6.360606459 6.65193932 7.244921431 6.43478527 PC 34:2_8 5.60983566 3.803725325 5.133920642 6.375285524 5.83645849 6.789853258 7.65785613 6.274466612 PC 34:2_9 0.687226948 0.373828889 0.509234408 0.670236025 0.696719786 0.709100749 0.683151301 0.738004767 PC 34:2_10 14.15937318 9.165664532 13.31000306 16.82726653 15.09695082 17.18335272 19.66533504 16.12916818 PC 34:2_11 1.081544154 0.62500632 0.829294648 0.985182552 1.101876642 1.195247205 0.935256668 1.080356179 PC 34:2_12 1.187694149 0.70167558 0.812806945 1.038225219 1.188411242 1.112259748 1.124534583 1.045032162 PC 34:2_13 1.012269197 0.553857473 0.781924728 1.018055939 0.97053738 1.057230798 0.843616797 1.074882627 PC 34:2_14 0.916745101 0.520833747 0.481895189 0.635243882 0.816632264 0.792436107 0.633846351 0.802943987 PC 34:2_15 1.037993053 0.653674226 0.720388367 0.950128647 1.040444361 0.952815728 0.878739456 0.903886557 PC 34:2_16 2436.765614 1965.662247 1958.740009 2477.101518 1952.113802 2220.257175 2939.724215 2313.48017 PC 34:3 6.425385522 1.968642116 6.075620784 9.399844512 7.454922954 11.35603776 14.89724871 14.41216869 PC 34:3_2 104.7719323 19.30054699 64.98143447 106.9957342 92.46814261 129.4577932 177.197798 158.957703 PC 34:3_3 0.42272777 0.32756105 0.4216665 0.414784682 0.427961182 0.54940848 0.805623982 0.472727157 PC 34:3_4 0.044531833 0.021967161 0.028908294 0.051476561 0.044874965 0.098601106 0.170886843 0.04765019 PC 34:3_5 201.7580083 23.90702603 218.6171987 256.203439 100.0761707 170.3631391 166.4072545 153.3750545 PC 34:3_6 116.6718289 79.17022652 109.1709651 103.8228203 119.3848887 101.0969352 100.7391826 88.40491536 PC 34:4 8.313439705 2.548008927 7.510570834 7.276406081 4.324810114 3.955757042 2.468179705 2.378594808 PC 34:4_2 19.51108799 6.373333543 12.44571399 12.91501017 13.28668264 14.70668234 17.15173684 18.74799998 PC 34:5 1.546657319 1.164721447 1.824047625 1.823446312 1.923405613 1.908921024 2.254741105 1.693541957 PC 34:5_2 1.560583438 0.338247777 0.775715086 0.962009797 0.62842171 0.630410647 0.826952116 0.67974698 PC 35:1 41.92767384 32.9159755 33.59850373 31.69222989 25.30351559 41.2939867 57.36827464 45.20854569 PC 35:2 95.74096417 80.09089816 91.25038083 105.7543612 86.82482761 120.2830394 140.9865561 115.731949 PC 35:3 45.95606635 20.24221438 30.52717388 34.04918375 56.97356844 65.74707796 60.55058155 64.21447399 PC 35:3_2 16.63678279 12.88254299 16.65012897 20.80396303 17.87902958 20.83450363 21.21205651 19.49448795 PC 35:4 11.11087311 7.511549451 9.335737593 9.262468339 11.43245651 13.77740311 20.56558821 19.05885567 PC 35:7 1.185113724 0.983387809 0.983260369 1.338077772 1.081010435 1.357290977 1.827881486 1.10137309 PC 36:0 3.137709189 3.128651677 3.841946581 3.43309569 3.720915295 4.787292593 5.169470567 5.100105279 PC 36:1 465.9872658 365.200803 343.6984501 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5.057810969 4.037766673 8.450377779 14.84043653 10.97755509 PE 34:3|PE 16:0_18:3 7.478298371 0.853232585 5.686211158 9.692073077 4.006458227 10.85816724 12.95361453 9.481975293 PE 36:1 22.52805203 12.20791314 29.24573438 18.48101513 18.19447522 24.1366984 28.20053486 24.90663832 PE 36:2 349.3530774 318.502659 315.0601836 405.0349895 350.9554849 407.7009994 470.8421624 380.0752723 PE 36:3 14.05781991 4.973542265 9.589548693 14.15848552 16.37099388 21.68635583 25.52564924 20.18911075 PE 36:3_2 2.149540991 3.097740353 1.977993087 2.07595554 1.56068884 1.808396602 3.046668236 1.945316758 PE 36:3_3 106.5481204 92.48930826 110.6969137 91.53523829 99.22649567 103.1658175 131.4830613 89.79776962 PE 36:4 248.1332814 220.8989244 204.2921786 266.807548 245.8499237 273.9453675 331.6284474 273.0519702 PE 36:4_2 11.19841066 13.58296781 11.96980789 13.96577868 10.4339434 11.57007444 12.23283181 7.766723384 PE 36:5 4.293285479 0.993629157 4.053902723 7.027114088 2.098872528 2.509921698 1.879464687 1.496992336 PE 36:5_2 69.64072514 39.36610971 42.22091346 68.38959504 38.37451024 41.16268852 51.56295882 36.09599725 PE 37:4 17.60112524 16.35329072 13.40410835 17.47934254 14.07617505 17.08457977 21.1576852 17.60289968 PE 38:3 1.984176119 1.82805079 1.255208956 1.637194797 1.537350898 1.880929065 2.473860435 2.268810395 PE 38:4 7.096065729 3.868535001 5.174847618 4.381374287 7.528513227 7.693375124 10.03086113 7.080323982 PE 38:4_2 3.556364486 2.090711278 2.435124209 3.105577403 2.495901242 3.795409113 4.555191285 3.65967766 PE 38:4_3 640.985302 743.2490585 567.6364661 727.9554785 591.5984818 628.2312839 757.2025802 601.7000222 PE 38:5 183.2712676 191.8596569 151.6047212 150.8237433 156.5702701 150.3759551 200.5953906 155.9856604 PE 38:6 22.36544336 20.78061895 16.91452561 20.24423313 12.67646834 13.24867644 19.91488867 10.34452617 PE 38:6_2 512.7031455 408.3058524 468.4938724 660.6517255 487.6812666 551.4217826 829.1666673 513.5268667 PE 38:7 0.627363473 0.728731153 0.722000574 0.927934459 0.931810629 0.946137293 0.790364344 0.709756201 PE O-39:4 3.410917429 6.631559917 3.704841717 3.865079866 3.032476954 2.873444612 4.391703262 3.16040489 PE P-34:2|PE P-16:0_18:2 1.58906077 2.469200512 3.416876606 2.691070649 3.485999743 4.074911079 3.712146371 2.916112949 PE P-36:3|PE P-18:1_18:2 0.6227773 1.180190486 1.374123399 0.869067321 1.278948436 1.620427855 1.521229484 1.38090999 PE P-36:4|PE P-16:0_20:4 36.37033441 57.46233865 41.69140655 40.26752219 52.37578436 58.93315614 62.40556665 66.10415466 PI 31:2 0.399641909 0.871837767 0.239938087 0.324123788 0.125056327 0.140468265 0.199404774 0.117702415 SE 27:2/32:0 0.333780266 0.328343217 1.058481533 0.351248503 1.295604857 1.157258722 0.758769188 1.27396819 SE 29:1/34:6 0.010883773 0.000229771 0.004391907 0.004426405 0.013404544 0.024558019 0.023903314 0.046161141 SM 20:0;3O 2.331194391 3.955228429 1.592869826 2.553587395 1.615089945 1.122557693 1.350029595 1.310662987 SM 30:1;2O 0.40836664 0.490476392 0.400061168 0.490223668 0.398504756 0.461168701 0.596873742 0.405726031 SM 30:1;2O|SM 16:1;2O/14:0 0.275651383 0.319003249 0.237637082 0.270280622 0.256514825 0.261139968 0.334306005 0.251781813 SM 32:1;2O 0.915069784 1.063983641 0.732104475 1.023535505 0.667966075 0.782611421 0.765389544 0.7477526 SM 32:1;2O_2 2.202305316 2.009843576 1.519328507 1.971567456 1.505197582 1.449987623 1.154724696 1.344489349 SM 32:1;2O_3 2.023807358 1.127123147 0.771290177 1.417631145 0.596114163 0.672003147 0.756214031 0.611364236 SM 33:1;2O 8.826636662 9.31411333 6.829109378 8.361322515 7.551921162 8.720670224 5.832195755 7.216034926 SM 33:1;2O_2 36.49054304 38.41930709 29.4617975 35.79814999 39.5725808 42.53026687 34.07438475 35.41635865 SM 34:0;2O 7.147081497 14.38836979 7.928532265 8.900843431 5.003311959 5.620905339 8.771753017 5.632379075 SM 34:0;3O 1.69165029 0.817453965 0.487235664 1.275740336 1.285366401 1.734964807 1.899895684 1.518918105 SM 34:1;2O 295.8987778 473.5396803 292.8229376 358.7055743 217.0909779 241.7972039 254.0079155 255.2599477 SM 34:1;2O_2 1.03474325 1.967316997 1.246962327 1.336916327 0.78987087 0.799259971 0.910323868 0.881233637 SM 34:1;2O_3 1.018336857 1.960374283 1.124592782 1.278777499 0.751251585 0.774924495 1.001259509 0.777282686 SM 34:1;2O_4 1.037272918 1.971237273 1.134614015 1.283672733 0.730330251 0.848281287 1.03166597 0.778855575 SM 34:1;2O_5 209.5843939 345.8649861 216.5811995 244.9321599 153.2956491 168.1105988 213.2984415 170.071525 SM 34:1;2O_6 0.281125971 0.540701884 0.345687593 0.39531243 0.232215565 0.293098282 0.296697538 0.272215665 SM 34:1;2O_7 169.7695086 300.1946564 187.7172476 229.8510074 142.4829879 165.1675634 193.4855696 176.9707028 SM 34:1;3O 1.946266525 2.511745977 2.802276956 2.471346576 1.858363439 2.033939379 2.169905217 2.2725794 SM 34:1;3O_2 1.216419133 1.064227182 2.908586846 1.461943323 1.865281574 3.072012372 1.863030517 2.56823411 SM 34:1;3O_3 1.290964629 0.968461329 2.722763872 1.579993627 1.514510337 3.144662094 1.629048106 2.905243947 SM 34:1;3O_4 0.630614298 0.844437144 2.132738117 0.647003514 1.05859138 1.81301087 0.966507523 1.273407765 SM 34:2;2O|SM 14:0;2O/20:2 1.799586655 1.91503812 2.039474553 2.144259018 1.398715664 1.750491833 1.329014507 1.610445973 SM 34:2;2O|SM 15:2;2O/19:0 3.063646394 3.833681761 3.60490746 3.734398847 2.990237557 3.074399439 1.950457701 2.38243809 SM 34:2;2O|SM 19:2;2O/15:0 5.689421075 7.575520305 7.324018217 6.828590398 5.449048516 5.959462472 3.947392197 4.533750093 SM 34:2;3O 0 0.109456132 0.112854782 0.073255261 0.076585716 0.214420503 0.178865846 0.247089924 SM 35:1;2O 6.541791132 8.956728434 5.675564844 5.188445867 5.045882118 5.964658453 6.045897098 5.674724669 SM 35:1;2O|SM 15:1;2O/20:0 3.011073855 5.878712612 2.408898243 2.800745394 1.943333111 2.469212331 3.100220548 1.977803901 SM 36:0;2O 2.849008521 3.702500829 2.925407185 2.48155454 2.006986889 2.205943405 2.967331405 2.507142954 SM 36:0;2O_2 0.09791069 0.07029704 0.403768525 0.186669009 0.112143281 0.097335563 0.172202025 0.063033199 SM 36:0;2O|SM 23:0;2O/13:0 1.577228968 1.90716019 1.399708927 1.47171775 0.963553898 1.129227677 1.686544014 1.359757914 SM 36:1;2O 0.754148012 0.771468618 0.675343958 0.465463151 0.553004502 0.607044928 0.658945197 0.636532057 SM 36:1;2O_2 124.9948443 109.404286 99.97253956 63.85603856 78.80721917 91.56970541 92.17078917 98.74444998 SM 36:1;2O|SM 17:0;2O/19:1 1.522667372 1.551596153 1.326538148 0.89802805 1.063393627 1.31050989 1.427691314 1.243251583 SM 36:1;2O|SM 18:0;2O/18:1 46.48291316 50.22484737 45.04606127 31.46064352 30.82308089 43.46612946 48.74521103 40.04949213 SM 36:1;2O|SM 22:0;2O/14:1 0.780766756 0.771468618 0.675343958 0.413243442 0.562140106 0.607044928 0.650511031 0.525016637 SM 36:2;2O 5.076933113 4.203349979 5.088695211 2.243259778 4.345243976 4.752853547 4.609931316 4.21754613 SM 36:2;2O_2 5.076933113 4.203349979 5.088695211 2.499527662 4.345243976 4.752853547 4.264959289 4.21754613 SM 36:2;2O|SM 15:2;2O/21:0 0.447242999 0.570107892 0.626365425 0.257995613 0.41033818 0.424198568 0.503456689 0.389244167 SM 36:3;2O 0.317184131 0.166136468 0.354999114 0.406697078 0.38386388 0.41066141 0.284371545 0.374206721 SM 36:4;3O 0.709122918 0.564373839 0.5881577 0.824456761 1.037844099 0.519715749 1.112143636 1.010674065 SM 38:1;2O|SM 25:1;2O/13:0 50.06986667 60.54456039 53.91498764 40.07615968 37.5438435 43.20985448 35.45367314 42.60265023 SM 38:2;2O 1.023400963 1.299460293 1.443527027 1.014410782 1.203316914 1.110792789 0.84450319 0.979155712 SM 38:4;3O 12.57844986 21.24993159 13.78066411 13.01032246 20.04220502 19.26408058 22.15845683 22.43056773 SM 39:1;2O 5.890399218 5.422275031 4.484298795 4.052134687 5.058766981 5.498619487 4.050695831 5.092949494 SM 39:2;2O 0.199774285 0.364972464 0.249419521 0.277671599 0.349937518 0.307058696 0.271196763 0.457087844 SM 39:6;3O 0.242416191 0.103376635 0.298553915 0.316537498 0.277156497 0.343689379 0.430886725 0.314008484 SM 40:1;2O 245.5371893 296.4013019 221.2478387 261.6655676 175.0394415 176.223023 168.4506609 165.9931579 SM 40:1;2O_2 3.590928895 4.542297694 3.234922732 3.753661349 2.371255271 2.567217639 2.14460858 2.127801549 SM 40:2;2O 10.97602266 10.03175684 10.7527998 9.986175355 10.1428094 10.42389644 7.590192828 7.988349654 SM 40:2;2O_2 11.76515987 14.58379817 11.46184978 9.044666908 8.68247347 10.15379344 9.6758819 11.78360756 SM 41:1;2O 110.1567338 104.1297122 76.89445766 71.41419052 80.65728289 83.22950878 52.78916442 58.4787012 SM 41:3;2O 0.479296816 0.305193756 0.408720815 0.29469062 0.480315153 0.500692809 0.516115263 0.492412499 SM 41:4;2O|SM 28:3;2O/13:1 0.102070029 0.13734502 0.09426376 0.086272589 0.094607305 0.116471888 0.08685872 0.087755357 SM 42:2;2O|SM 19:2;2O/23:0 0.7054565 0.870801829 0.787697499 0.803999125 0.555902698 0.71793103 0.801794665 0.893978375 ST 24:1;O2;G/28:3 1.622601184 0.290994361 0.27258053 0.440563469 1.406241435 1.98799917 3.434403484 4.853894885 ST 24:1;O2;T/27:0;O 0.230503314 0.215514482 0.928728317 1.15564106 0.205554205 0.199701256 0.46664915 0.216380331 ST 24:1;O3/15:1;O 1.840267097 0.784226828 1.000996928 1.514847628 0.569482534 0.421290354 0.752328553 0.385542745 ST 24:1;O3/22:3;O 0.110604678 0.162039929 0.104219315 0.102392051 0.108280052 0.145593821 0.095741699 0.091853668 ST 24:2;O4/18:5 0.691089239 0.999367145 1.191482688 4.50136929 1.707180608 1.810075542 2.891421472 1.460363527 ST 24:2;O4/21:2 0.027955455 0.027460427 0.875952898 0.123078287 0.181006874 0.311618033 0.310595598 0.764187602 ST 24:2;O4/25:0;O 0.132093912 0.295509918 0.151856848 0.173460378 0.132286023 0.178638798 0.225331897 0.159752813 TG 24:0|TG 8:0_8:0_8:0 0.012026654 0.023863955 0.016571679 0.12701581 0.036487292 0.056749793 0.036002704 0.029778101 TG 44:0|TG 14:0_14:0_16:0 0 0 0.101726178 0 0.076307603 0.095081952 0 0.536036743 TG 46:0|TG 14:0_16:0_16:0 1.166141554 0.273388134 5.855352336 0.821581222 1.678196169 5.651876289 5.996302055 14.01865311 TG 46:1|TG 14:0_16:0_16:1 0.784107171 0.020433516 0.489139989 0.107564011 0.746177729 2.163972017 3.161979934 7.55718611 TG 46:2|TG 14:0_14:0_18:2 2.312574113 0.173497806 3.717148924 2.025248998 3.064953289 8.905503634 8.474979781 12.47022118 TG 48:0|TG 16:0_16:0_16:0 7.642459726 3.767630769 47.39627278 11.6134353 23.46818132 61.29180774 42.6971358 96.62969123 TG 48:1|TG 14:0_16:0_18:1 8.426596193 1.400597445 8.148407954 4.620392946 9.307328645 25.00533014 32.83027353 60.44737444 TG 48:2|TG 14:0_16:0_18:2 7.750195789 1.435360587 7.567017013 5.401730256 9.190313744 22.68265885 24.578616 44.90658667 TG 48:3|TG 14:0_16:0_18:3 2.331617819 0.162252388 2.177526024 1.670432741 1.891055327 6.381657439 5.591884057 8.179549731 TG 48:3|TG 14:0_16:1_18:2 4.068109252 0.342931729 4.779945576 2.682100732 4.825677126 12.79565701 10.62774806 19.7234412 TG 49:2|TG 15:0_16:0_18:2 2.467696316 1.102387714 5.69255869 3.947224433 3.903769544 10.85142895 12.59862748 14.71708604 TG 50:1|TG 16:0_16:0_18:1 126.5285221 74.70694065 354.1162187 291.5637049 185.4918073 358.2172502 416.1180529 466.0980671 TG 50:2|TG 16:0_16:1_18:1 224.6577219 147.4929049 550.2511213 504.3639285 296.5779867 544.4958958 583.481311 590.7268128 TG 50:3|TG 16:0_16:1_18:2 38.99018212 7.001349316 20.81737105 23.35730538 48.08819832 96.25181847 115.6172657 177.4363035 TG 50:4|TG 16:0_16:2_18:2 9.047293483 1.481603639 11.06965033 8.243998916 11.41895472 47.76190039 24.58197599 32.2679739 TG 50:4|TG 16:0_16:2_18:2_2 21.93276588 3.957327059 24.68336905 23.25491855 32.75135317 64.83423038 54.75602161 73.01293681 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Average Rt(min) Average Mz Adduct type AHexCer 43:2;3O 17.471 836.65802 [M+H-H2O]+ AHexCer 43:3;3O 16.867 834.64142 [M+H-H2O]+ AHexCer 43:5;3O 15.639 830.60474 [M+H-H2O]+ CAR 10:0 1.521 316.24951 [M+H]+ CAR 11:0 1.549 330.2645 [M+H]+ CAR 12:0 1.653 344.28094 [M+H]+ CAR 14:0 4.335 372.31314 [M+H]+ CAR 14:0_2 5.493 372.31128 [M+H]+ CAR 14:1 1.777 370.29666 [M+H]+ CAR 15:0 6.065 386.32724 [M+H]+ CAR 15:0_2 5.386 386.32721 [M+H]+ CAR 16:0 6.113 400.34256 [M+H]+ CAR 16:0_2 6.595 400.34253 [M+H]+ CAR 16:1 5.857 398.32693 [M+H]+ CAR 16:1_2 5.129 398.32895 [M+H]+ CAR 16:2 3.805 396.31149 [M+H]+ CAR 16:2_2 3.723 396.31369 [M+H]+ CAR 16:2_3 5.156 396.3118 [M+H]+ CAR 16:3 1.79 394.29715 [M+H]+ CAR 16:4 1.663 392.28107 [M+H]+ CAR 18:0 7.226 428.37439 [M+H]+ CAR 18:0_2 7.563 428.37454 [M+H]+ CAR 18:1 6.418 426.35876 [M+H]+ CAR 18:1_2 6.816 426.35867 [M+H]+ CAR 18:2 5.668 424.34323 [M+H]+ CAR 18:2_2 6.163 424.34314 [M+H]+ CAR 18:2_3 5.876 424.34314 [M+H]+ CAR 18:3 4.877 422.32791 [M+H]+ CAR 18:3_2 5.566 422.32773 [M+H]+ CAR 19:1 6.682 440.37408 [M+H]+ CAR 19:2 5.996 438.35916 [M+H]+ CAR 20:0 8.409 456.40594 [M+H]+ CAR 20:0_2 8.166 456.40579 [M+H]+ CAR 20:1 8.885 454.38959 [M+H]+ CAR 20:1_2 7.365 454.392 [M+H]+ CAR 20:1_3 7.663 454.39185 [M+H]+ CAR 20:2 6.734 452.37363 [M+H]+ CAR 20:2_2 7.054 452.3736 [M+H]+ CAR 20:3 6.522 450.35825 [M+H]+ CAR 20:3_2 6.14 450.3587 [M+H]+ CAR 20:4 5.509 448.34369 [M+H]+ CAR 20:4_2 5.684 448.34378 [M+H]+ CAR 20:4_3 6.147 448.34372 [M+H]+ CAR 20:5 5.566 446.32755 [M+H]+ CAR 20:5_2 4.944 446.32721 [M+H]+ CAR 21:0 8.623 470.42096 [M+H]+ CAR 21:2 6.992 466.39124 [M+H]+ CAR 21:2_2 7.296 466.39142 [M+H]+ CAR 21:3 6.796 464.37582 [M+H]+ CAR 22:0 9.192 484.43863 [M+H]+ CAR 22:1 8.465 482.42203 [M+H]+ CAR 22:2 7.593 480.40616 [M+H]+ CAR 22:2_2 7.878 480.40616 [M+H]+ CAR 22:3 7.044 478.39142 [M+H]+ CAR 22:3_2 7.339 478.39148 [M+H]+ CAR 22:4 6.563 476.37585 [M+H]+ CAR 22:4_2 6.885 476.3761 [M+H]+ CAR 22:5 5.996 474.35886 [M+H]+ CAR 22:5_2 6.304 474.35941 [M+H]+ CAR 22:6 6.063 472.34396 [M+H]+ CAR 22:6_2 5.648 472.34415 [M+H]+ CAR 24:0 10.159 512.46967 [M+H]+ CAR 24:1 9.203 510.45444 [M+H]+ CAR 24:2 8.63 508.43896 [M+H]+ CAR 24:5 7.108 502.3916 [M+H]+ CAR 24:5_2 6.832 502.39169 [M+H]+ CAR 24:6 6.425 500.37582 [M+H]+ CAR 28:6 6.971 556.44385 [M+H]+ CAR 6:0 0.5 260.1864 [M+H]+ CAR 7:0 0.568 274.202 [M+H]+ CAR 8:0 0.732 288.21823 [M+H]+ CAR 9:0 1.062 302.23419 [M+H]+ CE 18:2 22.78 666.61993 [M+NH4]+ Cer 23:3;4O 0.642 394.2973 [M+H-H2O]+ Cer 30:1;2O|Cer 18:1;2O/12:0 11.156 482.45871 [M+H]+ Cer 33:1;2O|Cer 17:1;2O/16:0 13.234 524.50385 [M+H]+ Cer 34:0;2O|Cer 18:0;2O/16:0 14.921 540.53503 [M+H]+ Cer 34:0;2O|Cer 18:0;2O/16:0_2 14.612 540.53503 [M+H]+ Cer 34:1;2O|Cer 18:1;2O/16:0 14.009 538.52026 [M+H]+ Cer 34:2;2O|Cer 18:2;2O/16:0 12.723 536.50598 [M+H]+ Cer 35:1;2O|Cer 18:1;2O/17:0 14.775 552.53699 [M+H]+ Cer 36:0;2O|Cer 18:0;2O/18:0 16.135 568.56799 [M+H]+ Cer 36:1;2O|Cer 18:1;2O/18:0 15.542 566.55042 [M+H]+ Cer 36:2;2O|Cer 18:2;2O/18:0 14.227 564.53613 [M+H]+ Cer 37:1;2O|Cer 18:1;2O/19:0 16.288 580.56628 [M+H]+ Cer 38:0;2O|Cer 18:0;2O/20:0 17.568 596.60034 [M+H]+ Cer 38:1;2O|Cer 18:1;2O/20:0 17.007 594.5838 [M+H]+ Cer 38:2;2O|Cer 18:2;2O/20:0 15.738 592.56915 [M+H]+ Cer 40:0;2O|Cer 18:0;2O/22:0 18.873 624.63269 [M+H]+ Cer 40:1;2O|Cer 18:1;2O/22:0 18.333 622.61407 [M+H]+ Cer 40:1;3O|Cer 18:1;2O/22:0;O 17.201 638.60992 [M+H]+ Cer 40:2;2O|Cer 18:2;2O/22:0 17.171 620.60046 [M+H]+ Cer 41:0;2O|Cer 18:0;2O/23:0 19.454 638.64551 [M+H]+ Cer 41:1;2O|Cer 18:1;2O/23:0 18.969 636.63165 [M+H]+ Cer 41:2;2O|Cer 17:1;2O/24:1 17.601 634.61444 [M+H]+ Cer 42:0;2O|Cer 18:0;2O/24:0 20.024 652.66071 [M+H]+ Cer 42:0;4O 17.687 666.64233 [M+H-H2O]+ Cer 42:1;2O|Cer 18:1;2O/24:0 19.549 650.64703 [M+H]+ Cer 42:2;2O|Cer 18:1;2O/24:1 18.239 648.62939 [M+H]+ Cer 42:2;2O|Cer 18:2;2O/24:0 18.479 648.62933 [M+H]+ Cer 42:3;2O|Cer 18:1;2O/24:2 17.081 646.61664 [M+H]+ Cer 42:3;4O 17.769 662.60883 [M+H-H2O]+ Cer 43:0;2O|Cer 18:0;2O/25:0 20.543 666.67535 [M+H]+ Cer 43:3;4O 18.414 676.62091 [M+H-H2O]+ Cer 44:4;4O 17.684 688.6217 [M+H-H2O]+ Cer 48:7;4O 15.51 738.62518 [M+H-H2O]+ CerP 30:0;2O|CerP 13:0;2O/17:0 8.78 564.4422 [M+H]+ CerP 30:1;2O|CerP 18:1;2O/12:0 9.485 562.42517 [M+H]+ CerP 31:4;2O|CerP 15:3;2O/16:1 8.085 570.39508 [M+H]+ CerP 33:0;2O|CerP 17:0;2O/16:0 10.217 606.48004 [M+H]+ CerP 33:4;2O|CerP 15:3;2O/18:1 9.728 598.42712 [M+H]+ CerP 33:5;2O|CerP 15:3;2O/18:2 8.585 596.41241 [M+H]+ CerP 34:6;2O|CerP 17:3;2O/17:3 7.569 608.40497 [M+H]+ CerP 35:1;2O|CerP 18:1;2O/17:0 16.836 632.50409 [M+H]+ CerP 36:6;2O|CerP 17:3;2O/19:3 9.764 636.44214 [M+H]+ CerP 48:5;2O|CerP 22:2;2O/26:3 16.92 806.6496 [M+H]+ CoQ2 19.434 319.19104 [M+H]+ CoQ3 19.432 387.25424 [M+H]+ CoQ4 19.43 455.31653 [M+H]+ CoQ5 19.432 523.38031 [M+H]+ CoQ6 19.434 591.44385 [M+H]+ CoQ7 19.432 659.50323 [M+H]+ CoQ8 17.778 727.57074 [M+H]+ DG 34:1|DG 16:0_18:1 16.659 612.55878 [M+NH4]+ DG 34:2|DG 16:0_18:2 15.52 610.54144 [M+NH4]+ DG 34:3|DG 16:0_18:3 14.485 608.52606 [M+NH4]+ DG 36:2|DG 18:0_18:2 16.906 638.57202 [M+NH4]+ DG 36:2|DG 18:1_18:1 16.724 638.5719 [M+NH4]+ DG 36:3|DG 18:1_18:2 15.601 636.55865 [M+NH4]+ DG 36:4|DG 16:0_20:4 15.183 634.54156 [M+NH4]+ DG 36:4|DG 18:2_18:2 21.847 634.54126 [M+NH4]+ DG 36:4|DG 18:2_18:2_2 14.463 634.54187 [M+NH4]+ DG 36:4|DG 18:2_18:2_3 14.684 634.54144 [M+NH4]+ DG 36:4|DG 18:2_18:2_4 21.213 634.54126 [M+NH4]+ DG 36:4|DG 18:2_18:2_5 21.334 634.54224 [M+NH4]+ DG 36:4|DG 18:2_18:2_6 21.398 634.54144 [M+NH4]+ DG 36:5|DG 18:2_18:3 13.454 632.52576 [M+NH4]+ DG 38:3|DG 20:1_18:2 16.89 664.58771 [M+NH4]+ DG 38:4|DG 18:0_20:4 16.568 662.57312 [M+NH4]+ DG 38:4|DG 18:0_20:4_2 12.642 662.57166 [M+NH4]+ DG 38:5|DG 16:0_22:5 15.234 660.55908 [M+NH4]+ DG 38:6|DG 16:0_22:6 14.725 658.54059 [M+NH4]+ DG 38:6|DG 18:2_20:4 14.114 658.54004 [M+NH4]+ DG 40:6|DG 18:1_22:5 15.302 686.57422 [M+NH4]+ DG 40:7|DG 18:1_22:6 14.786 684.55615 [M+NH4]+ DG 40:7|DG 18:2_22:5 14.194 684.55664 [M+NH4]+ DG 40:8|DG 18:2_22:6 13.675 682.54163 [M+NH4]+ DG 42:10|DG 20:4_22:6 13.361 706.54114 [M+NH4]+ DG O-29:3|DG O-16:2_13:1 18.385 524.45892 [M+NH4]+ DG O-31:3|DG O-18:2_13:1 19.597 552.49188 [M+NH4]+ DGTS 28:2 20.072 652.51801 [M+H]+ DMPE 34:2 12.869 744.55566 [M+H]+ DMPE 36:2 14.32 772.5885 [M+H]+ HexCer 34:1;2O|HexCer 18:1;2O/16:0 12.599 700.57111 [M+H]+ HexCer 34:1;2O|HexCer 18:1;2O/16:0_2 12.603 682.56543 [M+H-H2O]+ HexCer 40:1;2O|HexCer 18:1;2O/22:0 16.916 766.65662 [M+H-H2O]+ HexCer 42:1;2O|HexCer 18:1;2O/24:0 18.215 794.68799 [M+H-H2O]+ HexCer 42:2;2O|HexCer 18:1;2O/24:1 16.817 792.672 [M+H-H2O]+ LPC 14:0/0:0 5.813 468.30859 [M+H]+ LPC 14:0/0:0_2 4.557 468.31137 [M+H]+ LPC 15:0/0:0 6.372 482.32559 [M+H]+ LPC 15:0/0:0_2 5.624 482.32535 [M+H]+ LPC 15:1/0:0 7.229 480.30984 [M+H]+ LPC 16:0 6.082 496.34161 [M+H]+ LPC 16:0/0:0 6.685 496.34164 [M+H]+ LPC 16:0/0:0_2 6.895 496.34164 [M+H]+ LPC 16:0/0:0_3 6.359 496.34171 [M+H]+ LPC 16:1 4.937 494.32651 [M+H]+ LPC 16:1/0:0 6.111 494.32642 [M+H]+ LPC 16:1/0:0_2 5.311 494.32639 [M+H]+ LPC 17:0/0:0 6.943 510.35855 [M+H]+ LPC 17:0/0:0_2 7.386 510.35867 [M+H]+ LPC 17:1/0:0 6.634 508.34073 [M+H]+ LPC 17:1/0:0_2 6.059 508.34088 [M+H]+ LPC 18:0 7.279 524.37152 [M+H]+ LPC 18:0/0:0 7.847 524.37158 [M+H]+ LPC 18:0/0:0_2 7.482 524.37177 [M+H]+ LPC 18:0/0:0_3 8.814 524.37134 [M+H]+ LPC 18:1 6.917 522.35675 [M+H]+ LPC 18:1_2 6.439 522.35687 [M+H]+ LPC 18:1/0:0 6.647 522.35675 [M+H]+ LPC 18:1/0:0_2 7.1 522.35657 [M+H]+ LPC 18:2 6.265 520.3407 [M+H]+ LPC 18:2_2 5.63 520.34045 [M+H]+ LPC 18:2/0:0 5.878 520.34045 [M+H]+ LPC 18:2/0:0_2 6.446 520.34088 [M+H]+ LPC 18:3 4.766 518.3266 [M+H]+ LPC 18:3_2 4.831 518.32672 [M+H]+ LPC 18:3/0:0 5.084 518.32629 [M+H]+ LPC 18:3/0:0_2 5.858 518.32648 [M+H]+ LPC 19:0/0:0 7.95 538.3891 [M+H]+ LPC 19:0/0:0_2 8.281 538.38867 [M+H]+ LPC 19:1/0:0 7.154 536.3725 [M+H]+ LPC 19:5/0:0 6.595 528.30927 [M+H]+ LPC 20:0/0:0 8.359 552.40411 [M+H]+ LPC 20:0/0:0_2 8.685 552.40417 [M+H]+ LPC 20:1/0:0 7.961 550.38849 [M+H]+ LPC 20:1/0:0_2 7.618 550.38831 [M+H]+ LPC 20:2 6.778 548.37347 [M+H]+ LPC 20:2/0:0 6.96 548.37347 [M+H]+ LPC 20:3 6.17 546.35608 [M+H]+ LPC 20:3/0:0 6.361 546.35718 [M+H]+ LPC 20:4 6.247 544.34271 [M+H]+ LPC 20:4_2 5.664 544.33936 [M+H]+ LPC 20:4/0:0 5.883 544.34259 [M+H]+ LPC 20:4/0:0_2 6.451 544.33929 [M+H]+ LPC 20:5 4.858 542.32684 [M+H]+ LPC 20:5_2 5.636 542.3233 [M+H]+ LPC 20:5/0:0 5.135 542.32678 [M+H]+ LPC 21:0/0:0 8.748 566.41956 [M+H]+ LPC 22:0/0:0 9.152 580.43506 [M+H]+ LPC 22:0/0:0_2 9.489 580.43463 [M+H]+ LPC 22:1/0:0 8.416 578.42096 [M+H]+ LPC 22:1/0:0_2 8.729 578.42047 [M+H]+ LPC 22:4 6.623 572.37134 [M+H]+ LPC 22:5 6.03 570.35858 [M+H]+ LPC 22:5_2 6.464 570.35522 [M+H]+ LPC 22:6 6.178 568.34229 [M+H]+ LPC 22:6_2 5.672 568.33905 [M+H]+ LPC 22:6/0:0 6.329 568.34235 [M+H]+ LPC 22:6/0:0_2 5.87 568.34222 [M+H]+ LPC 23:0/0:0 9.848 594.4516 [M+H]+ LPC 23:0/0:0_2 9.705 594.45111 [M+H]+ LPC 23:0/0:0_3 9.986 594.45117 [M+H]+ LPC 24:0/0:0 10.53 608.46521 [M+H]+ LPC 24:0/0:0_2 10.293 608.46521 [M+H]+ LPC 24:1/0:0 9.205 606.45184 [M+H]+ LPC 24:1/0:0_2 9.48 606.45142 [M+H]+ LPC 24:2/0:0 8.59 604.43622 [M+H]+ LPC 24:5/0:0 7.06 598.388 [M+H]+ LPE 16:0 6.233 454.29324 [M+H]+ LPE 16:0_2 7.017 454.2934 [M+H]+ LPE 16:0_3 6.485 454.29337 [M+H]+ LPE 16:1 5.421 452.27795 [M+H]+ LPE 17:0 7.514 468.31027 [M+H]+ LPE 18:0 7.424 482.3252 [M+H]+ LPE 18:0_2 7.814 482.32501 [M+H]+ LPE 18:0_3 7.975 482.3252 [M+H]+ LPE 18:0_4 7.605 482.32513 [M+H]+ LPE 18:1 6.582 480.30972 [M+H]+ LPE 18:1_2 6.776 480.31003 [M+H]+ LPE 18:2 6 478.29306 [M+H]+ LPE 18:2_2 5.766 478.29318 [M+H]+ LPE 20:3 6.303 504.30701 [M+H]+ LPE 20:4 13.336 502.29376 [M+H]+ LPE 20:4_2 6.016 502.29471 [M+H]+ LPE 20:4_3 14.753 502.29523 [M+H]+ LPE 20:4_4 5.815 502.29492 [M+H]+ LPE 20:4_5 6.38 502.29242 [M+H]+ LPE 20:5 5.017 500.27966 [M+H]+ LPE 20:5_2 5.786 500.27637 [M+H]+ LPE 22:5 6.157 528.30957 [M+H]+ LPE 22:6 5.983 526.29413 [M+H]+ LPE 22:6_2 6.314 526.29431 [M+H]+ LPE 22:6_3 5.819 526.29449 [M+H]+ LPE O-16:1 6.921 438.29816 [M+H]+ LPE O-16:1_2 7.416 438.3006 [M+H]+ LPE O-18:1 7.973 466.33188 [M+H]+ LPE O-18:1_2 8.325 466.3317 [M+H]+ LPE O-18:2 7.169 464.31644 [M+H]+ LPE O-18:2_2 7.602 464.31439 [M+H]+ LPE O-20:1 8.791 494.36182 [M+H]+ LPE O-20:1_2 9.121 494.362 [M+H]+ LPE O-22:1 10.053 522.39191 [M+H]+ NAE 13:1 3.723 256.22845 [M+H]+ NAE 13:1_2 4.024 256.22766 [M+H]+ NAE 14:1 1.576 270.24313 [M+H]+ NAE 15:0 1.844 286.27527 [M+H]+ NAE 15:0_2 4.849 286.2753 [M+H]+ NAE 15:0_3 5.526 286.27521 [M+H]+ NAE 15:0_4 1.764 286.27524 [M+H]+ NAE 15:1 8.058 284.26041 [M+H]+ NAE 16:0 7.736 300.29041 [M+H]+ NAE 16:0_2 6.096 300.29065 [M+H]+ NAE 16:0_3 5.057 300.29044 [M+H]+ NAE 16:1 1.816 298.27423 [M+H]+ NAE 16:1_2 5.28 298.27533 [M+H]+ NAE 17:0 6.082 314.30667 [M+H]+ NAE 17:0_2 5.292 314.30658 [M+H]+ NAE 17:2 8.814 310.27325 [M+H]+ NAE 17:2_2 29.546 310.27319 [M+H]+ NAE 17:2_3 30.271 310.27319 [M+H]+ NAE 17:2_4 36.809 310.27325 [M+H]+ NAE 17:2_5 33.183 310.27322 [M+H]+ NAE 17:2_6 27.89 310.27325 [M+H]+ NAE 17:2_7 9.709 310.27328 [M+H]+ NAE 17:2_8 31.233 310.27322 [M+H]+ NAE 18:0 1.677 328.32233 [M+H]+ NAE 18:0_2 8.65 328.32227 [M+H]+ NAE 18:0_3 4.736 328.32248 [M+H]+ NAE 18:0_4 6.627 328.32248 [M+H]+ NAE 18:0_5 5.584 328.32108 [M+H]+ NAE 18:0_6 4.293 328.32242 [M+H]+ NAE 18:0_7 6.08 328.32254 [M+H]+ NAE 18:1 7.937 326.30698 [M+H]+ NAE 18:1_2 1.801 326.30569 [M+H]+ NAE 18:1_3 8.742 326.30701 [M+H]+ NAE 18:2 7.298 324.29129 [M+H]+ NAE 18:2_2 5.511 324.28815 [M+H]+ NAE 18:3 6.096 322.27277 [M+H]+ NAE 18:3_2 5.052 322.27252 [M+H]+ NAE 19:0 6.588 342.33792 [M+H]+ NAE 19:0_2 6.166 342.33798 [M+H]+ NAE 19:0_3 5.579 342.33795 [M+H]+ NAE 19:0_4 5.33 342.33792 [M+H]+ NAE 19:1 5.301 340.32208 [M+H]+ NAE 19:2 30.273 338.30383 [M+H]+ NAE 19:2_2 31.12 338.30386 [M+H]+ NAE 19:2_3 33.05 338.30389 [M+H]+ NAE 20:0 7.735 356.35312 [M+H]+ NAE 20:0_2 6.035 356.35318 [M+H]+ NAE 20:0_3 5.69 356.35336 [M+H]+ NAE 20:0_4 6.554 356.35306 [M+H]+ NAE 20:0_5 6.233 356.35315 [M+H]+ NAE 20:0_6 7.612 356.35318 [M+H]+ NAE 20:0_7 8.819 356.35324 [M+H]+ NAE 20:0_8 7.804 356.3533 [M+H]+ NAE 20:1 8.775 354.33771 [M+H]+ NAE 20:1_2 6.08 354.33777 [M+H]+ NAE 20:1_3 5.455 354.33792 [M+H]+ NAE 20:1_4 5.174 354.33768 [M+H]+ NAE 20:1_5 5.929 354.33771 [M+H]+ NAE 20:1_6 8.021 354.33786 [M+H]+ NAE 20:2 7.444 352.32184 [M+H]+ NAE 20:2_2 6.278 352.31992 [M+H]+ NAE 20:2_3 5.614 352.31992 [M+H]+ NAE 20:2_4 7.716 352.32166 [M+H]+ NAE 21:0 7.205 370.36942 [M+H]+ NAE 21:0_2 7.512 370.3696 [M+H]+ NAE 21:1 6.794 368.35361 [M+H]+ NAE 21:1_2 6.456 368.35342 [M+H]+ NAE 21:2 6.163 366.33722 [M+H]+ NAE 21:2_2 5.74 366.33719 [M+H]+ NAE 21:4 8.811 362.29846 [M+H]+ NAE 21:4_2 8.578 362.29828 [M+H]+ NAE 22:1 7.296 382.36926 [M+H]+ NAE 22:4 10.439 376.31525 [M+H]+ NAE 22:4_2 9.868 376.31335 [M+H]+ NAE 22:4_3 7.311 376.32111 [M+H]+ NAE 22:4_4 8.019 376.31931 [M+H]+ NAE 22:5 7.418 374.30508 [M+H]+ NAE 22:6 8.908 372.29379 [M+H]+ NAE 22:6_2 7.209 372.29193 [M+H]+ NAE 23:0 8.314 398.40134 [M+H]+ NAE 24:1 8.15 410.40091 [M+H]+ NAE 26:3 1.051 434.40103 [M+H]+ NAE 26:4 1.022 432.38571 [M+H]+ NAE 26:5 0.729 430.36847 [M+H]+ NAE 26:6 0.71 428.35498 [M+H]+ NAE 28:4 7.747 460.41757 [M+H]+ PC 18:0 6.862 538.35217 [M+H]+ PC 20:0 7.555 566.38373 [M+H]+ PC 22:0 8.235 594.41595 [M+H]+ PC 28:0 10.85 678.50562 [M+H]+ PC 29:0 11.444 692.52161 [M+H]+ PC 30:0 12.1 706.54132 [M+H]+ PC 30:1 11.045 704.52411 [M+H]+ PC 31:0 12.824 720.55347 [M+H]+ PC 31:0_2 15.044 720.55334 [M+H]+ PC 31:1 11.617 718.53833 [M+H]+ PC 32:0 15.416 734.56903 [M+H]+ PC 32:0_2 14.078 734.57416 [M+H]+ PC 32:0_3 14.721 734.56952 [M+H]+ PC 32:0_4 14.227 734.56964 [M+H]+ PC 32:0_5 15.5 734.56897 [M+H]+ PC 32:0_6 16.366 734.5675 [M+H]+ PC 32:0_7 13.807 734.56909 [M+H]+ PC 32:0_8 16.659 734.5741 [M+H]+ PC 32:0_9 13.532 734.56903 [M+H]+ PC 32:1 12.711 732.55914 [M+H]+ PC 32:1_2 12.253 732.55341 [M+H]+ PC 32:2 11.779 730.53986 [M+H]+ PC 32:2_2 12.957 730.54083 [M+H]+ PC 32:2_3 11.263 730.54022 [M+H]+ PC 32:3 10.496 728.5249 [M+H]+ PC 33:0 13.969 748.58508 [M+H]+ PC 33:0_2 14.345 748.58612 [M+H]+ PC 33:0_3 16.809 748.58606 [M+H]+ PC 33:0_4 13.934 748.58557 [M+H]+ PC 33:1 12.978 746.57214 [M+H]+ PC 33:2 11.871 744.55566 [M+H]+ PC 33:3 11.229 742.54144 [M+H]+ PC 33:3_2 11.087 742.54138 [M+H]+ PC 34:0 15.11 762.59967 [M+H]+ PC 34:0_2 16.561 762.60004 [M+H]+ PC 34:1 16.585 760.58551 [M+H]+ PC 34:1_2 16.343 760.58557 [M+H]+ PC 34:1_3 16.497 760.58557 [M+H]+ PC 34:1_4 16.378 760.58588 [M+H]+ PC 34:1_5 15.5 760.58588 [M+H]+ PC 34:1_6 14.227 760.58588 [M+H]+ PC 34:1_7 13.637 760.58508 [M+H]+ PC 34:2 19.432 758.56732 [M+H]+ PC 34:2_2 14.735 758.5686 [M+H]+ PC 34:2_3 18.195 758.57373 [M+H]+ PC 34:2_4 15.502 758.57355 [M+H]+ PC 34:2_5 16.356 758.57318 [M+H]+ PC 34:2_6 16.326 758.57275 [M+H]+ PC 34:2_7 14.265 758.57385 [M+H]+ PC 34:2_8 13.83 758.57343 [M+H]+ PC 34:2_9 18.475 758.57379 [M+H]+ PC 34:2_10 13.428 758.57361 [M+H]+ PC 34:2_11 17.313 758.57324 [M+H]+ PC 34:2_12 21.194 758.57336 [M+H]+ PC 34:2_13 18.048 758.5741 [M+H]+ PC 34:2_14 22.432 758.57336 [M+H]+ PC 34:2_15 21.804 758.57379 [M+H]+ PC 34:2_16 12.571 758.56903 [M+H]+ PC 34:3 12.075 756.55347 [M+H]+ PC 34:3_2 11.834 756.55328 [M+H]+ PC 34:3_3 13.832 756.55475 [M+H]+ PC 34:3_4 9.56 756.55731 [M+H]+ PC 34:3_5 11.662 756.55334 [M+H]+ PC 34:3_6 11.422 756.55304 [M+H]+ PC 34:4 10.669 754.54065 [M+H]+ PC 34:4_2 11.082 754.54077 [M+H]+ PC 34:5 11.251 752.52533 [M+H]+ PC 34:5_2 10.369 752.52496 [M+H]+ PC 35:1 14.459 774.60352 [M+H]+ PC 35:2 13.27 772.58795 [M+H]+ PC 35:3 14.712 770.56921 [M+H]+ PC 35:3_2 12.077 770.56891 [M+H]+ PC 35:4 11.682 768.55725 [M+H]+ PC 35:7 12.716 762.50757 [M+H]+ PC 36:0 16.686 790.63336 [M+H]+ PC 36:1 15.206 788.62012 [M+H]+ PC 36:2 21.804 786.60303 [M+H]+ PC 36:2_2 18.059 786.60406 [M+H]+ PC 36:2_3 15.021 786.60339 [M+H]+ PC 36:2_4 13.971 786.60278 [M+H]+ PC 36:2_5 15.495 786.60321 [M+H]+ PC 36:3 12.936 784.58795 [M+H]+ PC 36:3_2 15.416 784.58868 [M+H]+ PC 36:3_3 15.093 784.58234 [M+H]+ PC 36:4 12.693 782.57422 [M+H]+ PC 36:4_2 12.666 782.56879 [M+H]+ PC 36:4_3 13.092 782.56885 [M+H]+ PC 36:4_4 14.557 782.56879 [M+H]+ PC 36:4_5 13.826 782.56848 [M+H]+ PC 36:4_6 13.554 782.56866 [M+H]+ PC 36:5 12.079 780.55676 [M+H]+ PC 36:5_2 11.481 780.55646 [M+H]+ PC 37:4 14.501 796.586 [M+H]+ PC 37:5 12.121 794.56854 [M+H]+ PC 37:6 11.345 792.55792 [M+H]+ PC 37:6_2 12.871 792.55231 [M+H]+ PC 38:4 13.321 810.60596 [M+H]+ PC 38:5 12.813 808.58972 [M+H]+ PC 38:6 13.432 806.56915 [M+H]+ PC O-30:0 13.047 692.56244 [M+H]+ PC O-31:0 13.786 706.57684 [M+H]+ PC O-31:2 14.761 702.54614 [M+H]+ PC O-32:0 14.663 720.5899 [M+H]+ PC O-32:0_2 12.841 720.57928 [M+H]+ PC O-32:1 13.6 718.57935 [M+H]+ PC O-32:1_2 13.167 718.57446 [M+H]+ PC O-32:1_3 14.3 718.57428 [M+H]+ PC O-34:0 16.316 748.62335 [M+H]+ PC O-34:1 14.703 746.61035 [M+H]+ PC O-34:2 13.471 744.59363 [M+H]+ PC O-34:3 14.63 742.57434 [M+H]+ PC O-34:3_2 13.205 742.57452 [M+H]+ PC O-34:3_3 12.156 742.57446 [M+H]+ PC O-35:2 16.781 758.60718 [M+H]+ PC O-35:6 13.82 750.54608 [M+H]+ PC O-35:7 12.909 748.52991 [M+H]+ PC O-36:1 16.33 774.63721 [M+H]+ PC O-36:2 15.062 772.62256 [M+H]+ PC O-36:3 13.534 770.60834 [M+H]+ PC O-36:4 13.207 768.59192 [M+H]+ PC O-36:4_2 12.42 768.59045 [M+H]+ PC O-37:5 15.754 780.59198 [M+H]+ PC O-37:8 14.759 774.54559 [M+H]+ PC O-37:9 12.035 772.53021 [M+H]+ PC O-38:4 14.74 796.62213 [M+H]+ PC O-38:5 13.257 794.61023 [M+H]+ PE 32:0|PE 16:0_16:0 13.899 692.52344 [M+H]+ PE 32:1 12.663 690.50696 [M+H]+ PE 32:2 11.542 688.4906 [M+H]+ PE 34:0 15.383 720.55377 [M+H]+ PE 34:1 14.055 718.53943 [M+H]+ PE 34:2 12.933 716.52606 [M+H]+ PE 34:3 12.158 714.50739 [M+H]+ PE 34:3|PE 16:0_18:3 11.998 714.50909 [M+H]+ PE 36:1 15.498 746.5719 [M+H]+ PE 36:2 14.384 744.55591 [M+H]+ PE 36:3 13.292 742.54205 [M+H]+ PE 36:3_2 13.574 742.54242 [M+H]+ PE 36:3_3 13.053 742.53687 [M+H]+ PE 36:4 12.707 740.52594 [M+H]+ PE 36:4_2 12.006 740.5224 [M+H]+ PE 36:5 11.145 738.50739 [M+H]+ PE 36:5_2 11.808 738.50726 [M+H]+ PE 37:4 13.394 754.54077 [M+H]+ PE 38:3 15.151 770.56964 [M+H]+ PE 38:4 13.41 768.55835 [M+H]+ PE 38:4_2 13.763 768.55774 [M+H]+ PE 38:4_3 14.141 768.55768 [M+H]+ PE 38:5 12.803 766.53735 [M+H]+ PE 38:6 11.922 764.52649 [M+H]+ PE 38:6_2 12.36 764.52618 [M+H]+ PE 38:7 12.062 762.50867 [M+H]+ PE O-39:4 14.682 768.5921 [M+H]+ PE P-34:2|PE P-16:0_18:2 13.597 700.52582 [M+H]+ PE P-36:3|PE P-18:1_18:2 13.612 726.54877 [M+H]+ PE P-36:4|PE P-16:0_20:4 13.329 724.52716 [M+H]+ PI 31:2 10.506 810.51202 [M+NH4]+ SE 27:2/32:0 25.625 864.83929 [M+NH4]+ SE 29:1/34:6 21.877 910.83167 [M+NH4]+ SM 20:0;3O 7.279 525.37543 [M+H]+ SM 30:1;2O 9.294 647.51318 [M+H]+ SM 30:1;2O|SM 16:1;2O/14:0 9.683 647.513 [M+H]+ SM 32:1;2O 10.4 675.54523 [M+H]+ SM 32:1;2O_2 10.698 675.54529 [M+H]+ SM 32:1;2O_3 10.563 675.54547 [M+H]+ SM 33:1;2O 11.057 689.5589 [M+H]+ SM 33:1;2O_2 11.293 689.55865 [M+H]+ SM 34:0;2O 12.467 705.59009 [M+H]+ SM 34:0;3O 11.26 721.5871 [M+H]+ SM 34:1;2O 11.737 703.57697 [M+H]+ SM 34:1;2O_2 13.123 703.57623 [M+H]+ SM 34:1;2O_3 12.948 703.58228 [M+H]+ SM 34:1;2O_4 13.04 703.57452 [M+H]+ SM 34:1;2O_5 11.877 703.57672 [M+H]+ SM 34:1;2O_6 14.216 703.57794 [M+H]+ SM 34:1;2O_7 11.95 703.57825 [M+H]+ SM 34:1;3O 14.292 719.57312 [M+H]+ SM 34:1;3O_2 11.266 719.57306 [M+H]+ SM 34:1;3O_3 11.201 719.57275 [M+H]+ SM 34:1;3O_4 11.51 719.573 [M+H]+ SM 34:2;2O|SM 14:0;2O/20:2 11.086 701.56201 [M+H]+ SM 34:2;2O|SM 15:2;2O/19:0 10.693 701.56207 [M+H]+ SM 34:2;2O|SM 19:2;2O/15:0 10.885 701.56207 [M+H]+ SM 34:2;3O 12.07 717.56177 [M+H]+ SM 35:1;2O 12.707 717.5929 [M+H]+ SM 35:1;2O|SM 15:1;2O/20:0 12.453 717.59332 [M+H]+ SM 36:0;2O 14.076 733.6261 [M+H]+ SM 36:0;2O_2 18.991 733.61353 [M+H]+ SM 36:0;2O|SM 23:0;2O/13:0 13.889 733.62573 [M+H]+ SM 36:1;2O 14.209 731.60687 [M+H]+ SM 36:1;2O_2 13.431 731.60681 [M+H]+ SM 36:1;2O|SM 17:0;2O/19:1 13.807 731.60681 [M+H]+ SM 36:1;2O|SM 18:0;2O/18:1 13.224 731.60712 [M+H]+ SM 36:1;2O|SM 22:0;2O/14:1 14.165 731.60663 [M+H]+ SM 36:2;2O 12.141 729.59296 [M+H]+ SM 36:2;2O_2 12.177 729.59265 [M+H]+ SM 36:2;2O|SM 15:2;2O/21:0 12.381 729.59338 [M+H]+ SM 36:3;2O 11.212 727.57568 [M+H]+ SM 36:4;3O 15.524 741.55469 [M+H]+ SM 38:1;2O|SM 25:1;2O/13:0 15.034 759.64056 [M+H]+ SM 38:2;2O 13.642 757.62598 [M+H]+ SM 38:4;3O 13.199 769.59375 [M+H]+ SM 39:1;2O 15.831 773.6554 [M+H]+ SM 39:2;2O 16.623 771.63794 [M+H]+ SM 39:6;3O 11.599 779.56305 [M+H]+ SM 40:1;2O 16.549 787.67004 [M+H]+ SM 40:1;2O_2 17.268 787.6701 [M+H]+ SM 40:2;2O 15.217 785.65747 [M+H]+ SM 40:2;2O_2 14.991 785.65845 [M+H]+ SM 41:1;2O 17.33 801.68585 [M+H]+ SM 41:3;2O 18.481 797.64935 [M+H]+ SM 41:4;2O|SM 28:3;2O/13:1 16.261 795.6394 [M+H]+ SM 42:2;2O|SM 19:2;2O/23:0 15.802 813.68622 [M+H]+ ST 24:1;O2;G/28:3 21.96 851.71307 [M+NH4]+ ST 24:1;O2;T/27:0;O 17.957 909.7171 [M+NH4]+ ST 24:1;O3/15:1;O 14.206 632.52582 [M+NH4]+ ST 24:1;O3/22:3;O 18.963 726.60223 [M+NH4]+ ST 24:2;O4/18:5 11.037 664.48584 [M+NH4]+ ST 24:2;O4/21:2 16.752 728.58282 [M+NH4]+ ST 24:2;O4/25:0;O 14.676 804.66272 [M+NH4]+ TG 24:0|TG 8:0_8:0_8:0 9.938 488.39505 [M+NH4]+ TG 44:0|TG 14:0_14:0_16:0 22.019 768.71191 [M+NH4]+ TG 46:0|TG 14:0_16:0_16:0 22.715 796.7431 [M+NH4]+ TG 46:1|TG 14:0_16:0_16:1 21.97 794.72479 [M+NH4]+ TG 46:2|TG 14:0_14:0_18:2 21.268 792.70813 [M+NH4]+ TG 48:0|TG 16:0_16:0_16:0 23.381 824.76971 [M+NH4]+ TG 48:1|TG 14:0_16:0_18:1 22.665 822.75806 [M+NH4]+ TG 48:2|TG 14:0_16:0_18:2 22.021 820.74091 [M+NH4]+ TG 48:3|TG 14:0_16:0_18:3 21.423 818.72516 [M+NH4]+ TG 48:3|TG 14:0_16:1_18:2 21.255 818.7251 [M+NH4]+ TG 49:2|TG 15:0_16:0_18:2 22.363 834.758 [M+NH4]+ TG 50:1|TG 16:0_16:0_18:1 23.312 850.78662 [M+NH4]+ TG 50:2|TG 16:0_16:1_18:1 22.688 848.77179 [M+NH4]+ TG 50:3|TG 16:0_16:1_18:2 21.979 846.75806 [M+NH4]+ TG 50:4|TG 16:0_16:2_18:2 21.413 844.73755 [M+NH4]+ TG 50:4|TG 16:0_16:2_18:2_2 21.303 844.7384 [M+NH4]+ METABOLITES_END #END