#METABOLOMICS WORKBENCH iharris_20240529_091819 DATATRACK_ID:4874 STUDY_ID:ST003239 ANALYSIS_ID:AN005306 PROJECT_ID:PR002013 VERSION 1 CREATED_ON June 4, 2024, 2:33 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 adipose from Gclc WT and whole-body Gclc KO mice. ST:STUDY_SUMMARY We found decreased triglycerides in the adipose 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 - Pos_Fat_CreERT2_223 Sample source:adipose | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Fat_CreERT2_223.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_CreERT2_223.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_CreERT2_224 Sample source:adipose | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Fat_CreERT2_224.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_CreERT2_224.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_CreERT2_232 Sample source:adipose | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Fat_CreERT2_232.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_CreERT2_232.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_CreERT2_210 Sample source:adipose | Genotype:Gclc KO RAW_FILE_NAME(Raw file name)=Pos_Fat_CreERT2_210.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_CreERT2_210.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_FF_225 Sample source:adipose | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Fat_FF_225.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_FF_225.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_FF_226 Sample source:adipose | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Fat_FF_226.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_FF_226.raw SUBJECT_SAMPLE_FACTORS - Pos_Fat_FF_231 Sample source:adipose | Genotype:Gclc WT RAW_FILE_NAME(Raw file name)=Pos_Fat_FF_231.raw; RAW_FILE_NAME(Raw file name)=Neg_Fat_FF_231.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 Adipose tissue #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 NEGATIVE 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 Pos_Fat_CreERT2_223 Pos_Fat_CreERT2_224 Pos_Fat_CreERT2_232 Pos_Fat_CreERT2_210 Pos_Fat_FF_225 Pos_Fat_FF_226 Pos_Fat_FF_231 Factors Sample source:adipose | Genotype:Gclc KO Sample source:adipose | Genotype:Gclc KO Sample source:adipose | Genotype:Gclc KO Sample source:adipose | Genotype:Gclc KO Sample source:adipose | Genotype:Gclc WT Sample source:adipose | Genotype:Gclc WT Sample source:adipose | Genotype:Gclc WT Cer 34:1;2O|Cer 18:1;2O/16:0 8.906535555 4.476460988 8.633369085 5.615644086 3.895209709 7.610858578 5.269106566 Cer 36:1;2O|Cer 18:1;2O/18:0 5.269287539 2.408851138 5.72143005 3.422000092 1.921744039 2.780417898 2.515149376 CL 72:8|CL 18:1_18:2_18:2_18:3 4.008286084 3.890406759 2.955378681 4.79006905 1.416484212 2.171673183 2.132029858 DMPE 32:0|DMPE 16:0_16:0 25.41082959 7.93263361 25.97457522 14.32601785 24.61831617 42.82970427 19.43830548 DMPE 32:0|DMPE 16:0_16:0_2 4.138111574 2.547078025 4.122329476 2.938285283 3.168113475 5.574620935 3.920779733 DMPE 34:1|DMPE 16:0_18:1 4.03602173 1.918251413 3.863490451 3.072853781 2.51545876 4.167720949 2.76819778 DMPE 34:2|DMPE 16:0_18:2 6.120847203 4.785060549 8.671126164 5.168987746 4.066252437 6.194507136 4.898345362 DMPE 36:2|DMPE 18:0_18:2 7.662130019 8.373905555 10.77504187 6.941210301 3.484468544 6.666576602 4.419770951 DMPE 36:4|DMPE 18:2_18:2 1.891670145 2.405555405 2.376287515 1.640639058 1.568873798 3.151339839 2.353838371 FA 14:1;2O 1.170692645 0.509165833 0.988883244 0.755035866 0.304710752 0.392775782 0.339774245 FA 14:1;2O_2 0.368472843 0.149642474 0.492813999 0.573003737 0.079615819 0.126365534 0.114436464 FA 14:1;2O_3 0.229519767 0.097794429 0.337683696 0.429155626 0.072055352 0.096591331 0.107783797 FA 16:0 1.214155563 1.038611013 1.280481701 1.070129879 0.890800862 0.894736006 0.850953196 FA 16:0_2 1.89093383 2.112794294 2.234945903 1.583627658 1.323889877 2.033117179 1.521772633 FA 16:0_3 0.314111112 0.382007376 0.344303321 0.308400696 0.812874175 0.5996959 0.510526037 FA 16:0_4 0.284312428 0.513191946 0.316661963 0.370538817 0.611354384 0.474421734 0.429888181 FA 16:0_5 0.73414294 0.997443666 0.77473704 0.963996514 2.016442304 0.834440595 1.035457364 FA 16:0_6 0.593052177 0.80710724 0.689378116 0.636045121 1.234716568 0.74384119 0.885522361 FA 16:0_7 0.73414294 1.042740823 0.77473704 0.963996514 2.016442304 0.834440595 1.035457364 FA 16:0_8 0.800764138 1.165823572 0.838479631 0.934580494 2.155879033 0.974273393 1.150082055 FA 16:0_9 0.634842269 0.733095283 0.90272274 0.556674441 0.654459307 0.824999735 0.613939426 FA 16:0_10 13.59582099 12.81947413 13.15984571 12.08866441 11.42978345 16.4066245 14.60851612 FA 16:0;2O 0.711632752 0.909139683 0.804523474 0.827646189 0.920101947 1.011369295 1.043857018 FA 16:0;2O_2 0.716780168 0.966672979 0.781191081 0.802982884 1.05503575 1.008540216 1.111630698 FA 16:0;2O_3 0.598868044 0.832125048 0.686653495 0.704364946 0.863017858 0.870778897 0.956037104 FA 16:0;2O_4 0.708636597 0.909919658 0.806931979 0.824908174 0.91294345 0.952001017 0.911403648 FA 16:0;2O_5 0.733080883 0.930347788 0.767417443 0.770832378 0.964198967 1.009371987 1.15352309 FA 16:0;2O_6 1.085093532 1.186702555 1.081949384 1.083241302 1.171256543 1.427895568 1.484103596 FA 16:0;2O_7 0.626705484 0.911091875 0.78017123 0.718203213 0.84501471 1.040348814 1.106713253 FA 16:0;2O_8 0.657596764 0.929549779 0.889355537 0.839300395 0.915231261 1.113915467 0.901668755 FA 16:0;2O_9 0.457254734 0.505653691 0.395070091 0.383593786 0.579196743 0.565725759 0.554447758 FA 16:0;2O_10 0.671953202 0.756760534 0.555747483 0.587156028 0.816585987 0.691852888 0.886804661 FA 16:0;2O_11 0.362365165 0.571987629 0.43858124 0.419389098 0.580800349 0.506654164 0.549565606 FA 16:0;2O_12 0.624096148 0.694001858 0.81105278 0.62857909 0.679963053 0.914926306 1.029881123 FA 16:0;2O_13 0.738716913 0.927944744 0.785910246 0.836220128 1.089023639 0.714623266 0.917656332 FA 16:0;2O_14 0.671953202 0.756647821 0.555747483 0.587156028 0.816585987 0.691852888 0.740322457 FA 16:0;2O_15 0.98595234 1.031523611 0.906892464 0.801666802 1.097140023 0.994082245 1.130841671 FA 16:0;2O_16 2.047728113 3.214804195 2.669451501 2.421340287 2.810659061 3.026070971 2.047962731 FA 16:0;2O_17 0.990539885 0.929315335 1.005340107 0.929326752 0.906323766 1.144060523 0.899521784 FA 16:1 0.198248454 0.162288888 0.202927839 0.168476132 0.162819438 0.124643716 0.140205992 FA 16:1_2 0.136493039 0.21644079 0.1403895 0.216010331 0.557148233 0.235051972 0.301505232 FA 16:1_3 0.474346054 0.738983418 0.458775049 0.582487995 0.710217748 0.802006845 0.751051427 FA 16:1;2O 0.639504464 0.858959793 0.709948255 0.781089349 0.960671034 0.921209617 0.900280577 FA 16:1;2O_2 0.62186006 0.932516388 0.736483206 0.772197857 0.998413499 0.957585005 1.05587417 FA 16:1;2O_3 0.468435179 0.713293839 0.504946844 0.533715338 0.817201772 0.782531761 0.920385631 FA 16:1;2O_4 0.505854888 0.692297635 0.621255057 0.563445383 0.946704697 0.779628511 0.794396701 FA 16:1;2O_5 0.690014964 0.957894879 0.733337097 0.834053709 1.012166022 0.888447397 0.963589735 FA 16:1;2O_6 0.667962852 0.915911489 0.732968294 0.832197786 1.092628545 0.814324465 0.930973431 FA 16:1;2O_7 0.645741082 0.879572772 0.735041867 0.712476669 0.93343967 0.915710396 1.066873717 FA 16:1;2O_8 0.627988097 0.884469031 0.726077712 0.724896531 0.854815949 0.953908262 1.037298464 FA 16:1;2O_9 0.338494322 0.489657442 0.370047982 0.368104242 0.568048476 0.507199847 0.524172534 FA 16:1;2O_10 0.663643366 0.932516388 0.760598363 0.753455156 0.953375697 0.943640929 1.117418695 FA 16:1;2O_11 0.657379602 0.859694683 0.745488757 0.734673643 0.897411994 0.845741017 1.036380855 FA 16:1;2O_12 0.716681766 0.980324794 0.773224198 0.766559522 0.978486025 0.964546447 1.123265513 FA 16:1;2O_13 0.644417752 0.973503395 0.767737322 0.775468656 1.052063734 0.872182841 0.988876929 FA 16:1;2O_14 0.761858227 1.048516244 0.825902719 0.79262359 0.965563101 1.120071628 1.280382572 FA 16:1;2O_15 0.554729888 0.642798532 0.572979584 0.487913569 0.731244227 0.807898111 0.711953037 FA 16:1;2O_16 0.345263665 0.592546505 0.447496472 0.422695181 0.651346174 0.536359494 0.616504026 FA 16:1;2O_17 0.331674081 0.512844789 0.351382068 0.352074858 0.526119531 0.506982633 0.513131812 FA 16:1;2O_18 0.697574912 0.959743375 0.760206981 0.822173688 1.039756594 0.79338716 0.979924356 FA 16:1;2O_19 0.680381798 1.022646324 0.767500235 0.775468656 1.047689097 0.901315999 1.070102996 FA 16:1;2O_20 0.479683487 0.632392855 0.550463825 0.514947939 0.56822808 0.705701601 0.729475845 FA 16:1;2O_21 0.496893567 0.654795719 0.569554991 0.510826803 0.607775136 0.764296386 0.742134147 FA 16:1;2O_22 0.506764254 0.629160242 0.574642958 0.559888786 0.573620471 0.648865719 0.69891828 FA 16:1;2O_23 0.427866622 0.581955979 0.541300216 0.471728937 0.496159899 0.790981913 0.738381361 FA 16:1;2O_24 0.607775075 0.884640355 0.786576348 0.730884174 0.758633813 1.004566791 0.928014729 FA 16:1;2O_25 0.217073676 0.236548814 0.33415373 0.271934993 0.359224796 0.309831845 0.242125324 FA 16:1;2O_26 1.535958956 1.029796846 1.463678615 1.281327514 1.19141066 2.061800015 1.594069656 FA 16:1;2O_27 0.62824937 0.901673565 0.725453006 0.679620489 0.753292737 0.851770029 0.948260954 FA 16:1;2O_28 0.745625375 1.078060613 0.749549346 1.677210612 0.301494988 0.513801032 0.454551871 FA 16:1;2O_29 1.031736175 1.251251116 0.84486217 0.740146145 1.317342889 1.233722199 1.050939079 FA 16:1;2O_30 0.529542501 0.815939441 0.525249788 1.246668337 0.282657966 0.472779385 0.407218526 FA 16:2;2O 0.257319883 0.231174651 0.321975727 0.249141724 0.374076323 0.400500122 0.469833595 FA 16:2;2O_2 0.406628867 0.536415361 0.440730078 0.456211166 0.502638466 0.554414741 0.649767363 FA 16:2;2O_3 0.378092436 0.456136554 0.457281024 0.418168282 0.436612671 0.560952351 0.571076485 FA 16:2;2O_4 0.405712715 0.281097555 0.310644463 0.277788559 0.416189149 0.456355892 0.463680907 FA 16:2;2O_5 0.405712715 0.301061307 0.682096152 0.405914254 0.334649003 0.341523888 0.317057533 FA 16:2;2O_6 2.339705678 1.044201585 2.816675134 1.630255066 1.299694673 4.080851267 2.8619998 FA 16:2;2O_7 0.418263994 0.345970731 0.407812588 0.914168875 0.220566351 0.278468271 0.277988553 FA 16:2;2O_8 0.549419601 0.363653168 0.537593377 1.069258372 0.261379186 0.344967524 0.274782803 FA 16:3;2O 0.654719369 0.291318383 0.740942704 0.37349912 0.146180425 0.171800333 0.151440823 FA 16:3;2O_2 0.210755622 0.106978296 0.227460721 0.318237791 0.091349937 0.101677315 0.097919497 FA 17:0;2O 0.208706156 0.150440483 0.230787468 0.195185892 0.125171051 0.227661401 0.779397319 FA 17:2 0.769340133 0 0 0.04945716 0 0 0 FA 17:3;2O 0.246526258 0.459297031 0.26471352 0.32650829 0.157469809 0.269382371 0.139147212 FA 18:0 0.861718769 0.62653628 0.742278672 0.674867774 0.485315248 0.6920754 0.489697483 FA 18:0_2 1.050205116 0.905442692 1.713380374 1.063037856 0.517143615 1.025212711 0.676642726 FA 18:0_3 8.946771583 9.218460609 7.628996143 7.539254879 6.69189388 10.18815495 8.127418283 FA 18:0;2O 4.228508607 2.068700913 5.113248659 1.864358878 1.114014231 1.896367759 2.113648262 FA 18:0;2O_2 1.775322265 2.272869496 1.848072255 3.181993317 12.08708221 9.453844687 1.960925138 FA 18:0;2O_3 1.873944305 1.167388031 1.326762631 1.827480356 1.422774623 2.000148341 2.804790391 FA 18:0;2O_4 0.707839205 0.725872625 0.73503434 0.541999951 0.769033731 0.824395774 0.596869541 FA 18:0;2O_5 0.436855089 0.559895763 0.427453194 0.516489837 0.596853512 0.435137798 0.450410865 FA 18:1 0.746897808 0.883964076 0.35375294 0.886834594 1.310714652 1.002701929 1.072896998 FA 18:1_2 1.537631782 1.403265074 2.023528084 1.26244015 1.262106154 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0.532524226 0.56853682 0.285818138 0.50545154 0.395489597 FA 20:3;2O 1.047880805 0.895438274 0.603499859 1.161094783 1.121168451 1.633983916 0.789361615 FA 20:3;4O 9.635425892 15.61526497 10.08163327 12.60464969 2.191624474 4.905432468 3.044680513 FA 20:3;4O_2 2.285995433 1.308653664 1.259034716 1.877897233 0.288396736 0.47783888 0.341674166 FA 20:3;4O_3 4.287966856 1.065860542 0.887556685 0.911363821 0.517336047 0.930062409 0.502649891 FA 20:4 42.72128288 16.35334217 25.04613416 20.98420702 8.807340666 19.80571538 12.28140606 FA 20:4_2 1.346447876 0.436073615 0.961866591 0.773856191 0.301413739 0.600993886 0.299899416 FA 20:4;2O 28.38752541 0.118335272 0.073101891 0.076675005 0.139406794 0.063055617 0.043580558 FA 20:4;2O_2 2.449922127 0.151364731 0.167737322 0.171581098 0.181117649 0.225939583 0.063450329 FA 20:4;2O_3 39.71817136 0.191409455 0.133276884 0.170917764 0.281447778 0.350424362 0.254171887 FA 20:4;2O_4 0.41315051 0.150386381 0.223068962 0.252797115 0.225304471 0.383965373 0.143647026 FA 20:4;2O_5 0.743938978 0.904608615 0.601347258 0.742577192 0.708947693 1.009917671 0.545742234 FA 20:4;3O 74.14414121 9.594814294 6.084026719 5.989418419 2.341952892 6.260126938 2.179463199 FA 20:4;3O_2 0.312221125 0.038024905 0.025853796 0.0317518 0.028830693 0.026314674 0.013575912 FA 20:4;3O_3 7.502950348 0.091753005 0.062779189 0.108712604 0.077430639 0.05116183 0.023663731 FA 20:4;3O_4 0.189429645 0.208771787 0.470708439 0.226299058 0.181378502 0.198014347 0.190203933 FA 20:4;O 3.881280305 7.029287382 4.28001129 4.288056115 1.777308337 3.950846075 2.565670825 FA 20:4;O_2 47.41105693 57.37234561 35.76482077 60.14971579 60.03738753 78.87162126 33.94767862 FA 20:5 2.357523133 0.963814573 3.317881268 1.127155393 1.20408556 1.70522479 0.95123142 FA 20:5_2 10.84904873 0.150683943 0.288313106 0.099193062 0.167172693 0.18508217 0.125271312 FA 20:5;2O 1.734302418 1.71341106 1.384946844 1.018234615 1.211804249 1.420001695 0.963595617 FA 20:5;2O_2 12.33583748 1.668231125 0.958133409 0.821690301 0.368431631 0.932096803 0.450799085 FA 20:5;2O_3 0.940463709 0.048615432 0.026260231 0.036783256 0.030314563 0.041053435 0.017181645 FA 20:5;2O_4 1.039801704 0.020933084 0.028322514 0.02995586 0.029027402 0.014230162 0.0195639 FA 20:5;2O_5 5.522203107 0.088817955 0.044636372 0.052025814 0.109549793 0.049508885 0.028645879 FA 20:5;2O_6 27.28986702 0.16283442 0.113899708 0.164386752 0.192826109 0.20865783 0.071226479 FA 20:5;2O_7 1.096609899 0.029999729 0.044188541 0.038695632 0.037468783 0.053344565 0.022440252 FA 20:5;2O_8 0.46701684 0 0 0 0 0.004646259 0 FA 20:5;2O_9 9.709389877 0 0.015388089 0.821633847 0.21524238 0.104464011 0 FA 20:5;3O 0.639921822 0.009120747 0.017950889 0.012508071 0.009955185 0.014277843 0.012423018 FA 20:5;3O_2 89.6358195 0.12540464 0.25927933 0.250598941 0.248875338 0.144717463 0.094419642 FA 20:5;3O_3 0.533441236 0.00620824 0.016833192 0.016787984 0.015869283 0.00799983 0.013028875 FA 20:5;3O_4 0.489089311 0.008854744 0.012437671 0.011633035 0.02123174 0.00502241 0.012075973 FA 20:5;4O 13.41147768 0.585251711 1.944705993 1.18369752 0.237380692 0.35696727 0.215197021 FA 20:5;4O_2 0.21223843 0 0.00537774 0.006922662 0.005396668 0 0 FA 20:5;O 3.652914211 1.106207338 1.298139054 1.175592854 3.395547535 3.619917988 0.89596899 FA 21:0;2O 0 0.027524549 0.03831781 0.09359001 0.013662721 0.017763862 1.083649497 FA 21:0;2O_2 0.133507063 3.143411692 1.617006304 0.142701391 2.081407581 1.489266453 1.326598317 FA 21:2;2O 1.436756687 0.180093056 0.471318092 0.811888489 0.730367589 0.814939021 0.38944867 FA 22:0;2O 0.385024651 0.141369329 0.272029354 6.197966248 0.145876809 0.218983439 3.396107219 FA 22:1;4O 2.089541958 0.364599959 2.740088437 1.017818268 0.668254593 1.232789769 0.937979024 FA 22:2;2O 0.049383973 0.13451637 0.047436259 0.065475959 0.619530635 0.184674232 0.163010935 FA 22:4 1.972342396 0.631112434 0.968760937 1.030446304 0.365605008 1.298361889 0.65569653 FA 22:4;2O 0.85934356 0 0 0 0 0.005091283 0 FA 22:4;2O_2 0.413262484 0.318112551 0.654398344 0.802213699 0.135241695 0.422147345 0.246660432 FA 22:4;O 1.350784328 1.719538147 1.040365039 1.236538387 1.574193493 3.023538574 1.786108807 FA 22:5 3.456355548 1.935176419 2.098376141 2.150601411 0.733788615 1.802589614 1.080637856 FA 22:5_2 1.077526797 0.7702275 0.570413021 0.864806981 0.217765386 0.469574155 0.344479933 FA 22:5;2O 0.12204838 0.229263036 0.147562329 0.305641511 0.080282919 0.11277112 0.048521531 FA 22:5;2O_2 0.350855584 0.931786007 0.296246119 0.546604473 0.287699702 0.580872458 0.436364385 FA 22:5;3O 0.401868271 0.184358121 0.148653683 0.246506032 0.261960761 0.292110366 0.199056509 FA 22:5;O 3.076349373 5.426502015 3.264295795 3.587314805 3.213540419 6.839012683 4.243672319 FA 22:6 33.91544937 15.91323793 16.82122495 17.30028897 7.366276385 14.11511279 8.306728546 FA 22:6;2O 0.288055078 0.828905961 0.31117885 0.514358701 0.391904143 0.915185903 0.746381031 FA 22:6;4O 2.02406086 1.041546064 0.805844388 0.755476912 0.192244535 0.539617703 0.317051651 FA 22:6;O 6.484257459 17.45677676 5.110810048 8.991112036 9.308345592 15.41272238 9.071779397 FA 23:0;2O 0.084238457 0.047461249 0.242020886 2.260852384 0.036416818 0.183376246 0.071449999 FA 24:0;2O 0.701276844 1.015793365 0.798622636 13.67304008 1.329256611 3.092639096 0.642691183 FA 24:0;2O_2 0.728391543 0.772662104 0.679300028 11.63228741 0.670456878 1.564523136 0.768297776 FA 24:1;2O 0.254160856 0.339234993 0.950219212 4.617253023 0.182926516 0.177114127 0.246601611 FA 24:1;2O_2 0.455025432 0.385221955 0.516488851 0.370500005 0.390839349 0.516672494 0.49409142 FA 26:0 1.449698179 1.185503287 1.277388277 0.795703857 1.2922796 1.050881041 7.698941808 FA 28:6;2O 0.174404756 0.380433901 0.244022956 0.557136657 0.240750402 0.404028524 0.236802014 FA 28:6;2O_2 0.526322397 0.322652636 0.685968577 0.368816973 0.358668879 0.644362504 0.390695677 FA 28:7 0.66767104 1.332891498 0.69416502 1.070652078 2.332857241 1.67160431 1.657608216 FA 28:7_2 0.667145101 0.534950091 0.50781447 0.584220424 2.439242585 2.109491719 1.103260454 FA 28:7_3 0.713661859 0.513769037 0.500246495 0.646404415 2.337881872 2.12680526 0.985318252 FA 28:7_4 0.57354493 1.149543286 0.681874118 0.791374547 1.978665629 1.181733897 1.556047692 FA 28:7_5 0.593004672 0.494950451 0.529528648 0.595454754 1.604828778 1.002394651 0.755010088 FA 28:7_6 1.813474896 2.646982444 1.984378587 2.114654379 2.570237932 2.836501478 3.224731923 FA 28:7_7 1.10633468 1.660733447 0.898101421 1.333900225 0.907345797 0.446305774 0.497120707 FA 28:7_8 1.947745418 2.55916989 2.209607677 2.191258817 2.364967842 2.828856607 3.170851788 FA 28:7_9 0.83807866 2.128975392 1.021766864 1.600327433 2.313361671 1.385729574 2.385366485 FA 28:7_10 0.957683968 1.591031641 0.717881268 1.157037157 0.785865177 0.431053117 0.444481698 FA 28:7_11 1.501942581 1.896574422 1.784792549 1.562083432 1.833203619 3.367674327 2.668707759 FA 28:7_12 1.723624161 2.728099837 1.784815128 2.145658164 2.641489344 2.237843966 3.176575082 FA 28:7_13 1.716189759 2.730593051 1.784815128 2.145658164 2.641489344 2.234516884 3.176575082 FA 28:7_14 2.043646148 2.532483927 2.263324866 2.090216889 2.392015326 3.011114996 3.309951943 FA 28:7_15 0.603594708 1.846913013 0.63914197 1.035513043 2.401863604 1.175100925 1.96717194 FA 28:7_16 1.627557166 2.102244344 1.477090978 1.790644174 1.868226369 0.580189029 0.6834248 FA 28:7_17 0.533638039 0.74759921 0.495184872 0.640886044 0.500714139 0.390921517 0.414171181 FA 28:7_18 1.980845642 2.537172794 2.314693762 2.03831104 2.32356488 3.142953262 3.190433335 FA 28:7_19 1.804744309 2.25818072 2.060701853 1.798332492 2.093423933 2.659371457 3.003605734 FA 28:7_20 1.723400212 2.27814898 2.063814094 1.798332492 2.093423933 2.650767666 2.8175781 FA 28:7_21 1.569032035 2.206657289 1.291071597 1.731205256 1.85735606 0.655890736 0.784938267 FA 28:7_22 1.775332444 2.167996682 2.055945056 1.85255648 2.031588895 2.353401782 2.739681307 FA 28:7_23 1.786889529 2.703690679 1.415083263 2.071410678 2.548287777 1.927265118 2.885704706 FA 28:7_24 0.997034383 1.305213659 0.907968765 0.938020655 1.193848141 0.805598822 0.801708165 FA 28:7_25 1.569032035 2.077704439 1.291071597 1.783343977 1.85735606 0.655890736 0.784938267 FA 28:7_26 21.32281795 20.12804213 24.9348236 18.43673456 15.23800503 25.14674126 22.32438664 FA 28:7_27 1.764586324 2.130436155 2.060701853 1.435940681 1.653732339 2.621359018 3.061997447 FA 28:7;2O 0.521561801 0.435789578 0.624826418 0.634492638 0.41550922 0.632632951 1.032469251 FA 28:7;2O_2 0.363695281 0.037776936 0.108168219 0.961149119 0 0 0.063997365 FA 40:5 21.5690965 19.61741553 15.36834698 15.51757305 13.14175875 40.64518898 21.70569447 FA 42:5 24.34685505 16.36089846 18.96724057 14.64195161 9.336385173 28.26519173 14.89573959 HexCer 40:1;2O 3.708120837 2.479472683 4.156101232 2.269585099 1.459978276 2.471889337 1.818466298 LPA 16:0 1.874331124 1.768816332 1.925200866 1.883500284 0.906734289 0.837306759 0.676483909 LPA 16:0_2 1.648031461 1.129940217 1.784901684 1.611995752 0.608925456 0.684557678 0.522313787 LPA 18:0 2.123327599 2.390285029 1.865127481 2.011583638 0.385669324 0.660632357 0.671148835 LPA 18:0_2 1.410615824 1.154930974 1.324941199 1.226023845 0.261473265 0.405898683 0.396271918 LPA 18:1 1.142488743 1.50097835 1.797177533 1.214838912 0.393037358 0.560586796 0.692724417 LPA 18:1_2 1.514775492 1.503417462 1.79462226 1.214838912 0.501458212 0.729976583 0.692724417 LPA 18:1_3 1.330571305 1.847949973 1.284030483 1.206497846 0.52356659 0.641623489 0.579846712 LPA 18:1_4 1 0.193055067 1.015357983 0.436529919 0.169823988 0.362588342 0.316057574 LPA 18:2 1.109758373 1.112136049 1.406676075 0.95506621 0.368683931 0.554981616 0.547053945 LPA 18:2_2 2.091486236 0.378130044 2.416517076 0.684112103 0.4379597 0.578880448 0.766521379 LPA 18:2_3 1.560847746 0.231309907 1.591344435 0.639047764 0.191457699 0.439784058 0.362555659 LPA 20:4 0.878959387 0.102735773 0.713651331 0.472032376 0.056575211 0.155874842 0.112477722 LPA 20:4_2 0.853989162 0 0.67600715 0.610206868 0.03972666 0.171943376 0.101936979 LPA 21:0 1.747739311 1 0.804711638 2.068453904 0.729602135 1.168685167 0.707017946 LPE 16:0 88.97431043 28.96553683 121.7689265 55.31284291 48.30101177 58.31710586 41.34355644 LPE 16:0_2 1.474013525 0.754289862 2.825025873 1.307038745 0.947940543 1.096368819 0.905633297 LPE 16:0_3 21.67040932 7.021983571 35.93934707 12.98386124 11.81621395 17.52940865 10.7105178 LPE 16:0_4 4.824115829 2.706607695 7.603304168 4.574460953 3.554779173 3.465696091 3.116242272 LPE 16:1 0.136218193 0.060125698 0.136035375 0.124025729 0.252758202 0.198967969 0.117054004 LPE 16:1_2 0.362701087 0.084079494 0.451447925 0.275241076 0.630204235 0.560523221 0.195586064 LPE 16:1_3 1.002582191 0.269650409 0.942504469 0.738290223 1.871228319 0.762256694 0.632332786 LPE 17:0 3.144911456 0.967272613 3.487052404 2.276871183 0.683982758 1.206967799 0.855335369 LPE 17:0_2 4.124148742 1.350294407 4.270813811 2.783830892 1.427743663 2.315505897 1.891686813 LPE 18:0 86.82820119 26.29248609 91.96147145 43.90260641 26.67668742 39.73528508 25.03914545 LPE 18:0_2 326.5947997 111.5186608 328.7365811 192.9376996 114.9514385 177.4646471 114.4129477 LPE 18:0_3 3.975141749 2.308144201 6.969780788 3.750851219 1.93337125 2.360553949 1.896874835 LPE 18:0_4 13.34232859 10.98596045 17.282194 16.30235307 7.696764565 7.775024635 7.538166076 LPE 18:1 2.433523011 0.929283776 3.084094459 1.597988124 1.040569088 1.619647796 1.157764092 LPE 18:1_2 11.36329489 2.754677595 9.265586603 5.875095707 4.582408231 5.503030399 3.535366191 LPE 18:1_3 51.76629647 14.81970406 38.35062565 28.66466373 24.26062228 28.70801149 19.37719623 LPE 18:1_4 6.20381662 2.3718136 6.149056355 4.643221825 3.351193938 4.168563315 3.715564653 LPE 18:2 19.69729667 6.085386967 26.47671841 12.8973068 6.181160412 6.229600432 6.133129812 LPE 18:2_2 17.94999847 6.462137402 17.41802239 8.830045481 7.243401697 6.779458978 10.05632709 LPE 18:2_3 13.51510123 9.728667911 18.46341518 13.27924578 10.22761366 9.537890588 10.51887275 LPE 18:2_4 3.591596513 1.940600175 6.250939881 3.06709901 2.375842428 2.720323808 2.834777392 LPE 18:2_5 3.946608712 1.529120567 17.41802239 3.238020302 3.140428826 11.20905517 10.05632709 LPE 18:3 0.240941125 0.11558958 0.379501364 0.195161194 0.324728028 0.253186687 0.141170658 LPE 18:3_2 0.122961138 0.038092533 0.197373224 0.072144578 0.151778078 0.165379277 0.059738717 LPE 19:0 1.004166794 0.511758235 1.240282247 0.688508452 0.354362663 0.647800841 0.687589335 LPE 20:0 0.764688118 0.45397697 1 0.492394599 0.48328829 0.77046844 0.831789279 LPE 20:0_2 0.764688118 0.173131892 1 0.493827117 0.48328829 0.77046844 0.831789279 LPE 20:1 1.117562629 0.47920668 1.055538621 0.790972313 0.464682187 0.570334933 0.574541048 LPE 20:2 1.388095456 0.265173443 1.100152413 0.736702456 0.517772228 0.76557318 0.800414101 LPE 20:4 26.25722827 6.445748911 29.96498636 13.59054326 4.714293045 5.893247295 3.726911245 LPE 20:4_2 19.04739219 5.114228005 14.08873083 9.089426534 5.678975232 11.4926783 6.322380843 LPE 20:4_3 6.593360954 5.868048981 8.104032364 8.954088851 4.568343539 4.23914725 4.006523261 LPE 20:5 0.4294139 0.177360889 0.437346881 0.23599149 0.339352913 0.188833084 0.09583723 LPE 20:5_2 0.252630543 0.254655053 0.413570421 0.294361312 0.268670247 0.213489515 0.121536172 LPE 20:5_3 0.254425522 0.044683997 0.437346881 0.14283194 0.142943279 0.424441336 0.148870341 LPE 22:4 0.965691813 0.208731211 1.217303603 0.472431082 0.228819575 0.662587283 0.310910727 LPE 22:4_2 2.075273743 0.447592898 1.905413491 1.066548584 0.758873285 1.564268837 0.967854265 LPE 22:4_3 1.006165362 0.466280737 1.151359488 1.222079127 0.627497349 0.590085508 0.620150935 LPE 22:5 1.030928605 0.520631013 1.802427321 0.765268138 0.367396771 0.616516736 0.430199933 LPE 22:5_2 1.8039062 1.216738352 2.458251952 2.136657293 0.920589443 0.873051697 0.89396319 LPE 22:5_3 2.141297746 0.605278582 2.395292125 1.100572654 0.914683897 1.823203747 1.298687701 LPE 22:6 5.743813431 2.747306156 6.443255245 3.57557239 1.672671992 2.297429458 1.41422412 LPE 22:6_2 18.21107797 4.68488111 14.65381127 8.378075415 5.058161712 8.874651663 5.12821825 LPE 22:6_3 7.670378778 2.70570599 15.54538339 8.663820448 1.95512042 3.94596141 2.529395848 LPE 22:6_4 8.15964114 6.990982949 11.68636372 11.62711482 5.386379186 4.763305678 4.788908692 LPE O-16:2 0.863951464 0.314866412 0.845520745 0.360211279 0.135258801 0.158036386 0.160752204 LPE O-20:4 0.754457757 0.244722771 0.831043372 0.377475593 0.105820875 0.187964229 0.15820525 LPG 16:0 1.285272691 0.32166076 0.883292878 0.877537339 0.403125107 0.476731619 0.311410707 LPG 16:0_2 10.22610965 1.136617343 8.319006492 7.588768493 1.18180613 3.196520339 1.894427876 LPG 16:0_3 0.508023114 0.21044445 0.694089754 0.211892723 0.252638466 0.541323628 0.328015905 LPG 18:0 9.023355083 2.372507912 6.314795371 4.622319762 1.52808662 3.308433199 2.040498332 LPG 18:1 15.13372762 8.938805782 21.92654812 4.248174951 4.035446102 7.210618053 9.333556854 LPG 18:1_2 20.20101727 10.55654142 34.9433211 5.279492762 4.755007526 10.18533117 11.01441117 LPG 18:2 7.828197794 9.517281179 10.69142535 4.071304826 2.796825288 1.925924749 3.272924056 LPG 18:2_2 35.64693887 16.85609688 32.72567128 5.795700328 7.245270432 15.71183127 16.94729629 LPG 18:2_3 15.64096352 11.95376056 32.7265406 4.572456839 5.336658855 12.65457686 15.51491409 LPG 20:1 1.237785492 1.237261161 2.460043278 0.559846445 0.347700216 0.542409697 0.495020793 LPG 20:2 1.801649752 0.451492773 4.636552827 0.556787349 0.280631008 0.67493669 0.569029511 LPG 20:4 6.460909162 3.328428057 9.393892182 1.777444543 1.157311587 3.359001664 2.35207962 LPG 20:4_2 3.811042004 2.592771932 8.754279801 1.525254307 0.856791591 2.530669549 2.031363414 LPG 22:4 1.771593188 0.728924897 3.313967448 0.554271621 0.306904485 0.888807654 0.727793561 LPG 22:4_2 3.192727791 1.318969171 7.951351962 1.110953119 0.537451678 1.443481992 0.993559089 LPG 22:5 15.82817065 11.50160954 29.42793866 6.631867531 2.683422565 6.488816131 5.291723282 LPG 22:5_2 3.511874345 2.104011686 8.745714555 1.256805343 0.648972837 1.845915848 1.421606169 LPG 22:6 18.64921228 6.700142469 17.69211779 3.86959145 2.471374568 7.531888066 3.795955461 LPG 22:6_2 13.01842483 6.004675341 14.05072914 3.801617405 2.233262632 5.12402916 2.875728646 LPG O-8:0 0.468716811 0 0.12593847 0.792076693 0 0.102138233 0.032292788 LPI 18:0 59.48312075 50.3891579 52.04470035 49.19920823 46.67954825 39.75424097 25.10618975 LPI 18:0_2 69.66220467 25.68758623 65.02001693 40.50725962 31.42880846 44.16962819 24.72549954 LPS 16:0 0.578241056 0.113993562 0.820901308 0.451126785 0.37488454 0.355240154 0.563270924 LPS 16:0_2 0.537346757 0.207410213 0.889547464 0.482546918 0.512935753 0.692790616 0.667984259 LPS 18:0 24.66048434 8.386150711 24.6419268 16.98996179 6.810795902 11.75585683 10.03890428 LPS 18:0_2 22.68538331 11.97679913 24.36590084 19.97175187 9.225488351 13.07805398 12.26801249 LPS 18:1 1.196758859 0.357273604 1.209697996 0.797609177 0.259206835 0.605825572 0.450057939 LPS 18:1_2 0.759930915 0.272743257 0.850710321 0.696359075 0.298403236 0.465568942 0.493138518 LPS 18:1_3 0.701555083 0.346457651 0.828002634 0.653087147 0.370625363 0.502431737 0.566817837 LPS 18:2 1.310633129 0.741702059 1.622575971 0.628452069 0.550502891 0.333455185 0.968436594 LPS 18:2_2 1.784778987 1.189642113 2.599800546 1.111492959 0.982210667 1.434973563 2.253801314 LPS 20:4 1.417402133 0.852499076 1.590682096 0.944396419 0.817317232 1.242241224 1.058785815 LPS 22:6 3.410744764 2.283978503 3.313199737 2.376455894 1.838613116 2.485759242 3.081908392 LPS 22:6_2 2.370881983 1.491023525 2.408704488 1.561183698 1.251932879 1.818229018 2.377213879 MMPE 32:2|MMPE 16:1_16:1 8.57658859 4.678835177 7.770608712 11.48523554 6.983236974 9.035686661 3.460216344 NAGlySer 20:5;O 4.803546525 0 4.868589707 2.688416715 0.262512401 1.354816322 2.867487809 OxFA 16:0;(2OH) 3.611670416 2.161797459 3.293337097 3.748892974 2.30288478 3.330181082 2.632891587 PA 32:0|PA 16:0_16:0 14.37842157 5.743757946 14.50784081 8.190973019 6.599808423 11.62032063 7.557541748 PA 34:1|PA 16:0_18:1 20.89419126 11.73042173 21.92398156 14.54981882 10.13790154 13.81268741 9.516543436 PA 34:2|PA 16:0_18:2 28.38878766 24.30800444 35.93111299 20.77984736 15.76486436 22.1017144 21.10103702 PA 36:2|PA 18:0_18:2 28.16176525 49.48542845 30.65100386 22.7142338 8.349218296 13.17270627 13.64562047 PE 32:0|PE 16:0_16:0 15.09384448 10.26836097 10.79794148 15.16213565 25.51664329 52.87829662 29.18506885 PE 32:0|PE 16:0_16:0_2 23.74280906 10.71535874 25.66899614 15.88332739 12.85410181 52.87829662 28.50194404 PE 32:1|PE 16:0_16:1 15.85920444 7.025080928 16.61197102 24.73075362 52.7108763 57.66867457 21.28855871 PE 32:2|PE 16:1_16:1 4.196626526 1.901222712 4.4064992 6.34631303 10.02520013 11.17813662 3.736504967 PE 34:1|PE 16:0_18:1 117.3905555 62.51637947 77.36355254 120.1194 134.3453269 232.0214671 124.0561977 PE 34:1|PE 16:0_18:1_2 137.2707364 47.15322224 146.1376235 106.3906752 98.81611987 202.8017843 80.68264836 PE 34:2|PE 16:0_18:2 285.5563043 187.9086392 226.8520764 367.8967458 383.443536 518.314547 325.510479 PE 34:2|PE 16:0_18:2_2 359.1663155 191.8041677 451.4367862 334.8344242 232.4403373 485.6613794 340.9109978 PE 34:3|PE 16:0_18:3 190.7427955 30.08213632 227.4296961 89.0157824 132.3860542 220.4922598 31.60643973 PE 34:3|PE 16:1_18:2 64.24825677 39.23802761 64.17751435 79.71568396 78.73742773 124.8503661 52.30286988 PE 36:1|PE 18:0_18:1 1486.023012 474.9021199 1477.249216 828.2949294 563.9081455 915.6434301 734.0373514 PE 36:2|PE 18:1_18:1 201.4758323 155.2111884 186.1300969 172.1189202 169.5720126 178.1546563 156.4305587 PE 36:3|PE 18:1_18:2 619.7840732 400.8308311 509.3007282 540.395869 261.0310458 479.5498056 383.1253066 PE 36:4|PE 18:2_18:2 1824.638565 889.0256355 1579.106821 1407.470801 777.0867914 1240.472234 703.8331363 PE O-32:2|PE O-16:1_16:1 22.84479371 16.93488336 26.90960956 18.12198633 11.9057593 15.83743921 15.83031875 PE O-34:3|PE O-16:1_18:2 357.8524317 477.4588507 270.5352978 297.5801169 173.9072731 272.4573572 319.6725782 PE-Cer 34:1;2O 210.585611 144.3428193 218.5258444 157.0626321 117.9320755 217.4744694 108.1192069 PE-Cer 43:1;2O 2.969034071 2.657072524 3.996481325 3.432302932 0.454350689 0.703052651 0.530184051 PEtOH 30:0|PEtOH 14:0_16:0 1.913606889 0.03700147 1.388600997 1.108712604 0.434632753 1.100119733 0.945390484 PEtOH 32:0|PEtOH 16:0_16:0 36.20809539 0.053822779 23.82093894 27.11327126 5.984160651 29.21632919 15.0921962 PEtOH 33:2|PEtOH 15:0_18:2 9.965566267 0 9.778808919 5.514760935 0.574907632 3.282145014 1.837183175 PEtOH 34:1|PEtOH 16:0_18:1 76.90659663 3.863977782 43.97284034 51.69608033 9.624627963 44.67903197 24.98838871 PEtOH 34:2|PEtOH 16:0_18:2 97.38326021 0.547037448 97.12725562 77.73181566 26.09785844 93.89318372 83.48441535 PEtOH 36:2|PEtOH 18:0_18:2 85.91710523 0.679051587 76.49140277 82.48955426 14.07914543 50.74097503 53.94819037 PEtOH 36:3|PEtOH 18:1_18:2 43.04535969 0.365041794 39.88176875 34.04751656 8.556091991 33.4793011 32.5520008 PEtOH 36:4|PEtOH 18:2_18:2 30.28192365 20.85941065 27.68786527 28.59337302 7.117909924 13.1905496 10.65387308 PEtOH 36:4|PEtOH 18:2_18:2_2 36.12043324 0.235561447 34.45491391 23.24820318 7.928564709 33.61582271 27.65486127 PI O-16:0 7.281048213 1.395528444 11.02014489 3.984274056 6.149297834 6.897644553 3.752569012 PMeOH 32:0|PMeOH 16:0_16:0 2.415278018 0 0.319984947 0.132723161 0.351895248 1.911530352 0.562265083 PMeOH 34:1|PMeOH 16:0_18:1 5.52962733 0.416813194 2.248851256 0.529848245 0.728960692 3.468768874 1.827218879 SL 26:0;O 0.465856381 0.244659651 0.406307273 0.280995847 0.252322021 0.424796296 0.206362091 ST 24:1;O3;T 2.352043188 0.314325389 1.550381033 0.520441611 0.775354076 0.522595548 0.185815878 ST 24:1;O3;T_2 4.227317609 0.266228438 2.358934989 1.217209977 0.384206835 0.847388665 0.422341433 ST 24:1;O4;T 168.3834943 7.579602528 79.19206699 21.53761419 28.37550888 7.797593693 4.863235043 ST 24:1;O4;T_2 637.6304922 7.656883166 200.4617556 32.38887576 88.47550546 13.49326107 5.807654979 ST 24:1;O4;T_3 4.094621511 0.139525342 2.021744285 0.567213682 1.192727755 0.228175297 0.117401048 ST 24:1;O4;T_4 15.33405947 0.247427886 3.601219306 0.91558728 1.62278061 0.334954491 0.170710618 ST 27:1;O;S 62.02232017 60.79812175 59.70147709 60.80083411 34.03330796 73.58819946 29.85855877 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Average Rt(min) Average Mz Adduct type Cer 34:1;2O|Cer 18:1;2O/16:0 14.197 536.50409 [M-H]- Cer 36:1;2O|Cer 18:1;2O/18:0 15.773 564.53558 [M-H]- CL 72:8|CL 18:1_18:2_18:2_18:3 13.774 723.47638 [M-2H]2- DMPE 32:0|DMPE 16:0_16:0 15.638 718.54132 [M-H]- DMPE 32:0|DMPE 16:0_16:0_2 13.754 718.53955 [M-H]- DMPE 34:1|DMPE 16:0_18:1 13.874 744.55737 [M-H]- DMPE 34:2|DMPE 16:0_18:2 12.736 742.54089 [M-H]- DMPE 36:2|DMPE 18:0_18:2 14.197 770.5722 [M-H]- DMPE 36:4|DMPE 18:2_18:2 11.83 766.54199 [M-H]- FA 14:1;2O 1.542 257.17575 [M-H]- FA 14:1;2O_2 4.206 257.17706 [M-H]- FA 14:1;2O_3 3.107 257.17703 [M-H]- FA 16:0 6.446 255.23351 [M-H]- FA 16:0_2 6.2 255.23349 [M-H]- FA 16:0_3 7.546 255.23257 [M-H]- FA 16:0_4 0.546 255.23364 [M-H]- FA 16:0_5 23.604 255.23347 [M-H]- FA 16:0_6 22.242 255.23344 [M-H]- FA 16:0_7 23.577 255.2337 [M-H]- FA 16:0_8 22.893 255.23352 [M-H]- FA 16:0_9 6.614 255.2332 [M-H]- FA 16:0_10 8.874 255.23357 [M-H]- FA 16:0;2O 23.542 271.22812 [M-H]- FA 16:0;2O_2 22.883 271.22803 [M-H]- FA 16:0;2O_3 20.898 271.22809 [M-H]- FA 16:0;2O_4 8.991 271.22821 [M-H]- FA 16:0;2O_5 22.245 271.22821 [M-H]- FA 16:0;2O_6 16.89 271.228 [M-H]- FA 16:0;2O_7 21.579 271.22812 [M-H]- FA 16:0;2O_8 6.493 271.22806 [M-H]- FA 16:0;2O_9 1.643 271.22812 [M-H]- FA 16:0;2O_10 0.497 271.22803 [M-H]- FA 16:0;2O_11 1.577 271.22809 [M-H]- FA 16:0;2O_12 22.057 271.2283 [M-H]- FA 16:0;2O_13 24.311 271.22797 [M-H]- FA 16:0;2O_14 0.545 271.22815 [M-H]- FA 16:0;2O_15 6.42 271.22812 [M-H]- FA 16:0;2O_16 7.517 271.22812 [M-H]- FA 16:0;2O_17 5.734 271.22794 [M-H]- FA 16:1 5.257 253.21762 [M-H]- FA 16:1_2 22.878 253.21793 [M-H]- FA 16:1_3 8.17 253.21793 [M-H]- FA 16:1;2O 22.513 269.21255 [M-H]- FA 16:1;2O_2 22.3 269.21234 [M-H]- FA 16:1;2O_3 0.54 269.21234 [M-H]- FA 16:1;2O_4 9.306 269.21451 [M-H]- FA 16:1;2O_5 23.127 269.21494 [M-H]- FA 16:1;2O_6 24.374 269.2124 [M-H]- FA 16:1;2O_7 23.37 269.21228 [M-H]- FA 16:1;2O_8 21.589 269.21249 [M-H]- FA 16:1;2O_9 0.344 269.21207 [M-H]- FA 16:1;2O_10 22.244 269.21237 [M-H]- FA 16:1;2O_11 22.426 269.21469 [M-H]- FA 16:1;2O_12 23.52 269.21228 [M-H]- FA 16:1;2O_13 22.948 269.2124 [M-H]- FA 16:1;2O_14 16.869 269.21228 [M-H]- FA 16:1;2O_15 1.792 269.2146 [M-H]- FA 16:1;2O_16 1.591 269.21234 [M-H]- FA 16:1;2O_17 3.436 269.21326 [M-H]- FA 16:1;2O_18 24.279 269.21237 [M-H]- FA 16:1;2O_19 22.887 269.21231 [M-H]- FA 16:1;2O_20 22.211 285.20764 [M-H]- FA 16:1;2O_21 22.829 285.20764 [M-H]- FA 16:1;2O_22 23.519 285.20764 [M-H]- FA 16:1;2O_23 22.758 285.20758 [M-H]- FA 16:1;2O_24 21.984 269.21466 [M-H]- FA 16:1;2O_25 1.731 285.2077 [M-H]- FA 16:1;2O_26 6.836 269.21228 [M-H]- FA 16:1;2O_27 22.623 269.21472 [M-H]- FA 16:1;2O_28 5.546 285.20758 [M-H]- FA 16:1;2O_29 6.414 269.21252 [M-H]- FA 16:1;2O_30 5.396 285.20758 [M-H]- FA 16:2;2O 1.758 283.19162 [M-H]- FA 16:2;2O_2 22.86 283.19174 [M-H]- FA 16:2;2O_3 21.548 283.19174 [M-H]- FA 16:2;2O_4 1.632 283.19162 [M-H]- FA 16:2;2O_5 1.565 283.19162 [M-H]- FA 16:2;2O_6 6.1 267.19672 [M-H]- FA 16:2;2O_7 4.683 283.19293 [M-H]- FA 16:2;2O_8 4.928 283.19293 [M-H]- FA 16:3;2O 1.539 281.17679 [M-H]- FA 16:3;2O_2 4.442 281.1767 [M-H]- FA 17:0;2O 8.268 285.24368 [M-H]- FA 17:2 6.383 265.2175 [M-H]- FA 17:3;2O 5.202 279.19696 [M-H]- FA 18:0 7.31 283.26425 [M-H]- FA 18:0_2 7.59 283.26462 [M-H]- FA 18:0_3 9.815 283.26453 [M-H]- FA 18:0;2O 5.773 315.25464 [M-H]- FA 18:0;2O_2 8.429 299.259 [M-H]- FA 18:0;2O_3 8.673 299.2601 [M-H]- FA 18:0;2O_4 6.935 299.25952 [M-H]- FA 18:0;2O_5 24.278 299.26047 [M-H]- FA 18:1 7.574 281.24881 [M-H]- FA 18:1_2 6.87 281.24875 [M-H]- FA 18:1_3 22.883 281.24875 [M-H]- FA 18:1_4 0.533 281.24872 [M-H]- FA 18:1_5 23.562 281.24875 [M-H]- FA 18:1_6 0.689 281.24893 [M-H]- FA 18:1_7 1.54 281.24911 [M-H]- FA 18:1_8 23.503 281.24869 [M-H]- FA 18:1_9 24.283 281.24881 [M-H]- FA 18:1_10 1.6 281.24884 [M-H]- FA 18:1_11 1.174 281.24893 [M-H]- FA 18:1_12 6.497 281.24896 [M-H]- FA 18:1_13 17.048 281.24863 [M-H]- FA 18:1_14 8.996 281.24905 [M-H]- FA 18:1;2O 23.574 297.24344 [M-H]- FA 18:1;2O_2 21.816 297.24374 [M-H]- FA 18:1;2O_3 22.885 297.24368 [M-H]- FA 18:1;2O_4 22.774 297.24347 [M-H]- FA 18:1;2O_5 23.502 297.24341 [M-H]- FA 18:1;2O_6 4.65 313.2395 [M-H]- FA 18:1;2O_7 22.234 313.23941 [M-H]- FA 18:1;2O_8 16.9 313.23969 [M-H]- FA 18:1;2O_9 22.848 313.23944 [M-H]- FA 18:1;2O_10 36.786 297.24356 [M-H]- FA 18:1;2O_11 21.562 297.24359 [M-H]- FA 18:1;2O_12 20.899 297.24347 [M-H]- FA 18:1;2O_13 23.532 313.2395 [M-H]- FA 18:1;2O_14 16.928 297.24356 [M-H]- FA 18:1;2O_15 22.459 297.24374 [M-H]- FA 18:1;2O_16 22.259 297.24362 [M-H]- FA 18:1;2O_17 16.848 313.23959 [M-H]- FA 18:1;2O_18 22.182 313.23926 [M-H]- FA 18:1;2O_19 8.39 313.23764 [M-H]- FA 18:1;2O_20 20.868 313.2395 [M-H]- FA 18:1;2O_21 0.52 297.2435 [M-H]- FA 18:1;2O_22 16.878 297.24365 [M-H]- FA 18:1;2O_23 24.289 297.24353 [M-H]- FA 18:1;2O_24 5.078 313.23938 [M-H]- FA 18:1;2O_25 0.679 313.23804 [M-H]- FA 18:1;2O_26 21.547 313.2395 [M-H]- FA 18:1;2O_27 18.511 297.24329 [M-H]- FA 18:1;2O_28 21.517 313.23956 [M-H]- FA 18:1;2O_29 0.525 313.23795 [M-H]- FA 18:1;2O_30 23.394 313.23953 [M-H]- FA 18:1;2O_31 1.564 313.23804 [M-H]- FA 18:1;2O_32 1.621 297.24368 [M-H]- FA 18:1;2O_33 8.005 297.24359 [M-H]- FA 18:1;2O_34 18.331 313.2395 [M-H]- FA 18:1;2O_35 1.171 297.24353 [M-H]- FA 18:1;2O_36 4.878 313.23941 [M-H]- FA 18:1;2O_37 7.743 297.24341 [M-H]- FA 18:1;2O_38 7.563 313.23813 [M-H]- FA 18:1;2O_39 24.312 313.23959 [M-H]- FA 18:1;2O_40 8.872 313.23969 [M-H]- FA 18:1;2O_41 25.374 297.24362 [M-H]- FA 18:1;2O_42 6.574 313.23813 [M-H]- FA 18:1;2O_43 6.441 313.23804 [M-H]- FA 18:1;2O_44 24.251 313.23935 [M-H]- FA 18:1;2O_45 7.541 297.24356 [M-H]- FA 18:1;2O_46 6.38 297.24371 [M-H]- FA 18:1;2O_47 5.392 297.24451 [M-H]- FA 18:1;3O 1.539 329.23392 [M-H]- FA 18:1;3O_2 23.525 329.23398 [M-H]- FA 18:1;3O_3 22.204 329.23392 [M-H]- FA 18:1;3O_4 22.836 329.23398 [M-H]- FA 18:1;3O_5 22.105 329.23392 [M-H]- FA 18:1;4O 1.271 345.22876 [M-H]- FA 18:2 5.76 279.23322 [M-H]- FA 18:2_2 14.708 279.23343 [M-H]- FA 18:2_3 6.212 279.23322 [M-H]- FA 18:2_4 8.406 279.23325 [M-H]- FA 18:2_5 0.713 279.23318 [M-H]- FA 18:2_6 8.88 279.23349 [M-H]- FA 18:2_7 6.408 279.23328 [M-H]- FA 18:2_8 5.237 279.23294 [M-H]- FA 18:2_9 0.501 279.23325 [M-H]- FA 18:2_10 15.823 279.23322 [M-H]- FA 18:2_11 22.913 279.23325 [M-H]- FA 18:2_12 1.616 279.23312 [M-H]- FA 18:2_13 22.237 279.23318 [M-H]- FA 18:2_14 24.348 279.23322 [M-H]- FA 18:2_15 23.591 279.23331 [M-H]- FA 18:2_16 21.567 279.23325 [M-H]- FA 18:2;2O 22.28 295.22815 [M-H]- FA 18:2;2O_2 22.823 311.22299 [M-H]- FA 18:2;2O_3 22.337 295.22815 [M-H]- FA 18:2;2O_4 23.54 295.22803 [M-H]- FA 18:2;2O_5 4.176 295.22791 [M-H]- FA 18:2;2O_6 22.918 295.22821 [M-H]- FA 18:2;2O_7 23.526 311.22299 [M-H]- FA 18:2;2O_8 6.466 311.22327 [M-H]- FA 18:2;2O_9 22.867 311.22299 [M-H]- FA 18:2;2O_10 2.982 295.22778 [M-H]- FA 18:2;2O_11 20.887 311.22311 [M-H]- FA 18:2;2O_12 22.477 295.22821 [M-H]- FA 18:2;2O_13 22.79 311.22293 [M-H]- FA 18:2;2O_14 3.112 295.22781 [M-H]- FA 18:2;2O_15 1.595 311.22293 [M-H]- FA 18:2;2O_16 36.74 311.2243 [M-H]- FA 18:2;2O_17 21.566 311.22452 [M-H]- FA 18:2;2O_18 3.842 295.22787 [M-H]- FA 18:2;2O_19 21.349 295.22803 [M-H]- FA 18:2;2O_20 21.992 311.22302 [M-H]- FA 18:2;2O_21 8.381 311.22293 [M-H]- FA 18:2;2O_22 16.895 295.22827 [M-H]- FA 18:2;2O_23 22.479 311.22321 [M-H]- FA 18:2;2O_24 1.538 295.22812 [M-H]- FA 18:2;2O_25 8.994 311.22311 [M-H]- FA 18:2;2O_26 8.87 311.22327 [M-H]- FA 18:2;2O_27 21.597 295.22818 [M-H]- FA 18:2;2O_28 16.904 311.22308 [M-H]- FA 18:2;2O_29 25.339 311.22318 [M-H]- FA 18:2;2O_30 17.79 311.22314 [M-H]- FA 18:2;2O_31 6.021 311.22305 [M-H]- FA 18:2;2O_32 24.387 311.2229 [M-H]- FA 18:2;2O_33 5.97 311.22333 [M-H]- FA 18:2;2O_34 7.541 311.22305 [M-H]- FA 18:2;2O_35 24.258 311.22318 [M-H]- FA 18:2;2O_36 4.26 311.22427 [M-H]- FA 18:2;2O_37 0.5 311.22299 [M-H]- FA 18:2;2O_38 4.727 311.22424 [M-H]- FA 18:2;2O_39 1.623 295.22806 [M-H]- FA 18:2;2O_40 24.315 295.22803 [M-H]- FA 18:2;2O_41 24.313 311.22302 [M-H]- FA 18:2;2O_42 0.532 311.22321 [M-H]- FA 18:2;2O_43 4.333 311.2244 [M-H]- FA 18:2;2O_44 4.949 311.22424 [M-H]- FA 18:2;2O_45 0.528 295.2276 [M-H]- FA 18:2;3O 1.256 327.21841 [M-H]- FA 18:2;3O_2 1.554 327.21844 [M-H]- FA 18:2;3O_3 5 327.21829 [M-H]- FA 18:2;4O 0.704 343.21378 [M-H]- FA 18:2;O 7.559 295.22699 [M-H]- FA 18:2;O_2 6.052 295.22803 [M-H]- FA 18:2;O_3 6.44 295.22818 [M-H]- FA 18:2;O_4 5.726 295.22824 [M-H]- FA 18:2;O_5 7.095 295.228 [M-H]- FA 18:3 7.86 277.2171 [M-H]- FA 18:3;2O 22.227 309.20847 [M-H]- FA 18:3;2O_2 0.541 309.20712 [M-H]- FA 18:3;2O_3 23.544 309.2084 [M-H]- FA 18:3;2O_4 22.48 309.20844 [M-H]- FA 18:3;2O_5 22.878 309.20834 [M-H]- FA 18:3;2O_6 21.826 309.20847 [M-H]- FA 18:3;2O_7 23.124 309.2085 [M-H]- FA 18:3;2O_8 1.56 309.20804 [M-H]- FA 18:3;2O_9 22.417 309.20825 [M-H]- FA 18:3;2O_10 23.49 309.20825 [M-H]- FA 18:3;2O_11 5.779 309.20706 [M-H]- FA 18:3;2O_12 23.387 309.20816 [M-H]- FA 18:3;2O_13 21.564 309.20837 [M-H]- FA 18:3;2O_14 24.3 309.20834 [M-H]- FA 18:3;2O_15 24.268 309.2084 [M-H]- FA 18:3;2O_16 5.497 309.20807 [M-H]- FA 18:3;2O_17 5.221 309.20831 [M-H]- FA 18:3;O 5.519 293.21292 [M-H]- FA 19:1;2O 8.996 327.2536 [M-H]- FA 19:2;2O 5.759 325.23874 [M-H]- FA 19:2;2O_2 8.406 325.23889 [M-H]- FA 20:0;2O 9.515 327.29178 [M-H]- FA 20:1 9.901 309.27982 [M-H]- FA 20:1;2O 22.892 341.2699 [M-H]- FA 20:1;2O_2 22.234 341.26978 [M-H]- FA 20:1;2O_3 8.589 325.27515 [M-H]- FA 20:2 9.172 307.26523 [M-H]- FA 20:2;2O 7.99 323.25977 [M-H]- FA 20:2;4O 8.397 371.24078 [M-H]- FA 20:2;O 6.945 323.25986 [M-H]- FA 20:3 8.666 305.24872 [M-H]- FA 20:3;2O 6.675 321.24338 [M-H]- FA 20:3;4O 0.925 369.22852 [M-H]- FA 20:3;4O_2 1.168 369.22815 [M-H]- FA 20:3;4O_3 1.542 369.22849 [M-H]- FA 20:4 8.302 303.23367 [M-H]- FA 20:4_2 5.767 303.23383 [M-H]- FA 20:4;2O 1.548 335.2236 [M-H]- FA 20:4;2O_2 4.43 335.22324 [M-H]- FA 20:4;2O_3 1.665 335.22366 [M-H]- FA 20:4;2O_4 5.55 335.22348 [M-H]- FA 20:4;2O_5 6.71 319.22842 [M-H]- FA 20:4;3O 1.539 351.21692 [M-H]- FA 20:4;3O_2 2.847 351.21841 [M-H]- FA 20:4;3O_3 0.969 351.21848 [M-H]- FA 20:4;3O_4 7.303 351.22061 [M-H]- FA 20:4;O 6.193 319.22867 [M-H]- FA 20:4;O_2 6.437 319.22751 [M-H]- FA 20:5 7.765 301.21744 [M-H]- FA 20:5_2 8.007 301.21759 [M-H]- FA 20:5;2O 5.707 317.21304 [M-H]- FA 20:5;2O_2 1.54 333.20676 [M-H]- FA 20:5;2O_3 2.548 333.20834 [M-H]- FA 20:5;2O_4 4.583 333.20825 [M-H]- FA 20:5;2O_5 3.799 333.20822 [M-H]- FA 20:5;2O_6 1.669 333.20691 [M-H]- FA 20:5;2O_7 4.774 333.20816 [M-H]- FA 20:5;2O_8 3.746 317.21298 [M-H]- FA 20:5;2O_9 6.421 317.21167 [M-H]- FA 20:5;3O 3.695 349.20279 [M-H]- FA 20:5;3O_2 1.542 349.20142 [M-H]- FA 20:5;3O_3 2.824 349.20294 [M-H]- FA 20:5;3O_4 3.4 349.20291 [M-H]- FA 20:5;4O 1.542 365.19678 [M-H]- FA 20:5;4O_2 3.317 365.19809 [M-H]- FA 20:5;O 5.847 317.21326 [M-H]- FA 21:0;2O 10.016 341.30661 [M-H]- FA 21:0;2O_2 8.653 341.30685 [M-H]- FA 21:2;2O 8.844 353.26962 [M-H]- FA 22:0;2O 10.617 355.32245 [M-H]- FA 22:1;4O 8.28 401.29062 [M-H]- FA 22:2;2O 8.796 351.29108 [M-H]- FA 22:4 8.904 331.26483 [M-H]- FA 22:4;2O 4.81 363.25473 [M-H]- FA 22:4;2O_2 7.874 347.25897 [M-H]- FA 22:4;O 7.09 347.26016 [M-H]- FA 22:5 8.424 329.24844 [M-H]- FA 22:5_2 8.641 329.24982 [M-H]- FA 22:5;2O 5.146 361.2403 [M-H]- FA 22:5;2O_2 6.863 345.24426 [M-H]- FA 22:5;3O 1.653 377.23282 [M-H]- FA 22:5;O 6.578 345.24417 [M-H]- FA 22:6 8.156 327.23273 [M-H]- FA 22:6;2O 5.01 359.22348 [M-H]- FA 22:6;4O 1.09 391.21375 [M-H]- FA 22:6;O 6.336 343.22864 [M-H]- FA 23:0;2O 11.235 369.3371 [M-H]- FA 24:0;2O 12.205 383.3526 [M-H]- FA 24:0;2O_2 11.911 383.3526 [M-H]- FA 24:1;2O 10.645 381.33829 [M-H]- FA 24:1;2O_2 8.247 381.33795 [M-H]- FA 26:0 15.729 395.38934 [M-H]- FA 28:6;2O 9.18 427.32211 [M-H]- FA 28:6;2O_2 9.46 427.3219 [M-H]- FA 28:7 20.635 409.31287 [M-H]- FA 28:7_2 17.832 409.31104 [M-H]- FA 28:7_3 18.819 409.31088 [M-H]- FA 28:7_4 20.214 409.31079 [M-H]- FA 28:7_5 19.878 409.31296 [M-H]- FA 28:7_6 20.9 409.311 [M-H]- FA 28:7_7 26.482 409.31119 [M-H]- FA 28:7_8 22.884 409.31107 [M-H]- FA 28:7_9 21.185 409.31277 [M-H]- FA 28:7_10 26.644 409.3129 [M-H]- FA 28:7_11 22.774 409.31061 [M-H]- FA 28:7_12 21.862 409.31091 [M-H]- FA 28:7_13 21.827 409.3111 [M-H]- FA 28:7_14 22.237 409.31265 [M-H]- FA 28:7_15 21.106 409.31076 [M-H]- FA 28:7_16 25.268 409.3129 [M-H]- FA 28:7_17 28.23 409.31265 [M-H]- FA 28:7_18 21.582 409.31302 [M-H]- FA 28:7_19 23.484 409.31287 [M-H]- FA 28:7_20 23.544 409.31293 [M-H]- FA 28:7_21 25.369 409.31277 [M-H]- FA 28:7_22 24.279 409.31299 [M-H]- FA 28:7_23 22.417 409.31079 [M-H]- FA 28:7_24 19.639 409.31281 [M-H]- FA 28:7_25 25.425 409.31302 [M-H]- FA 28:7_26 10.464 409.31085 [M-H]- FA 28:7_27 23.422 409.31271 [M-H]- FA 28:7;2O 9.366 425.30762 [M-H]- FA 28:7;2O_2 8.33 425.30753 [M-H]- FA 40:5 14.952 581.52625 [M-H]- FA 42:5 16.529 609.55804 [M-H]- HexCer 40:1;2O 17.135 782.64972 [M-H]- LPA 16:0 7.009 409.2352 [M-H]- LPA 16:0_2 6.733 409.2373 [M-H]- LPA 18:0 7.918 437.26822 [M-H]- LPA 18:0_2 7.782 437.2681 [M-H]- LPA 18:1 7.004 435.25119 [M-H]- LPA 18:1_2 7.05 435.25098 [M-H]- LPA 18:1_3 7.202 435.25323 [M-H]- LPA 18:1_4 6.89 435.25079 [M-H]- LPA 18:2 6.562 433.23581 [M-H]- LPA 18:2_2 6.435 433.23511 [M-H]- LPA 18:2_3 6.139 433.23538 [M-H]- LPA 20:4 6.175 457.23608 [M-H]- LPA 20:4_2 6.401 457.23563 [M-H]- LPA 21:0 9.141 479.3204 [M-H]- LPE 16:0 6.569 452.27835 [M-H]- LPE 16:0_2 6.872 452.27856 [M-H]- LPE 16:0_3 7.059 452.2785 [M-H]- LPE 16:0_4 6.325 452.27841 [M-H]- LPE 16:1 5.239 450.26401 [M-H]- LPE 16:1_2 6.258 450.26428 [M-H]- LPE 16:1_3 5.521 450.26392 [M-H]- LPE 17:0 7.553 466.29446 [M-H]- LPE 17:0_2 7.157 466.29395 [M-H]- LPE 18:0 8.016 480.31015 [M-H]- LPE 18:0_2 7.683 480.31015 [M-H]- LPE 18:0_3 7.852 480.31024 [M-H]- LPE 18:0_4 7.505 480.31061 [M-H]- LPE 18:1 7.097 478.29388 [M-H]- LPE 18:1_2 7.267 478.29379 [M-H]- LPE 18:1_3 6.858 478.29404 [M-H]- LPE 18:1_4 6.668 478.29379 [M-H]- LPE 18:2 6.437 476.27942 [M-H]- LPE 18:2_2 5.857 476.27905 [M-H]- LPE 18:2_3 6.09 476.27917 [M-H]- LPE 18:2_4 6.603 476.2793 [M-H]- LPE 18:2_5 5.913 476.27911 [M-H]- LPE 18:3 5.323 474.26306 [M-H]- LPE 18:3_2 5.041 474.26349 [M-H]- LPE 19:0 8.147 494.3244 [M-H]- LPE 20:0 8.54 508.34134 [M-H]- LPE 20:0_2 8.585 508.3414 [M-H]- LPE 20:1 7.82 506.32645 [M-H]- LPE 20:2 7.157 504.30923 [M-H]- LPE 20:4 6.432 500.27939 [M-H]- LPE 20:4_2 5.902 500.27917 [M-H]- LPE 20:4_3 6.095 500.27951 [M-H]- LPE 20:5 5.113 498.26407 [M-H]- LPE 20:5_2 5.363 498.26407 [M-H]- LPE 20:5_3 5.172 498.26364 [M-H]- LPE 22:4 7.175 528.30981 [M-H]- LPE 22:4_2 6.826 528.30957 [M-H]- LPE 22:4_3 6.974 528.30988 [M-H]- LPE 22:5 6.644 526.29529 [M-H]- LPE 22:5_2 6.405 526.29541 [M-H]- LPE 22:5_3 6.232 526.29517 [M-H]- LPE 22:6 6.346 524.27893 [M-H]- LPE 22:6_2 5.895 524.27917 [M-H]- LPE 22:6_3 6.474 524.27924 [M-H]- LPE 22:6_4 6.061 524.27954 [M-H]- LPE O-16:2 6.611 434.26822 [M-H]- LPE O-20:4 6.942 486.30081 [M-H]- LPG 16:0 6.828 483.27283 [M-H]- LPG 16:0_2 6.476 483.27298 [M-H]- LPG 16:0_3 6.641 483.27255 [M-H]- LPG 18:0 7.569 511.30411 [M-H]- LPG 18:1 6.869 509.29022 [M-H]- LPG 18:1_2 6.588 509.28714 [M-H]- LPG 18:2 6.419 507.27319 [M-H]- LPG 18:2_2 5.839 507.27295 [M-H]- LPG 18:2_3 6.22 507.27319 [M-H]- LPG 20:1 7.558 537.32001 [M-H]- LPG 20:2 6.925 535.30371 [M-H]- LPG 20:4 5.866 531.27472 [M-H]- LPG 20:4_2 6.204 531.27161 [M-H]- LPG 22:4 6.765 559.30328 [M-H]- LPG 22:4_2 6.934 559.30359 [M-H]- LPG 22:5 6.449 557.28925 [M-H]- LPG 22:5_2 6.202 557.28949 [M-H]- LPG 22:6 5.877 555.27155 [M-H]- LPG 22:6_2 6.151 555.27155 [M-H]- LPG O-8:0 6.108 357.17191 [M-H]- LPI 18:0 7.514 599.32208 [M-H]- LPI 18:0_2 7.143 599.32196 [M-H]- LPS 16:0 5.994 496.26791 [M-H]- LPS 16:0_2 6.579 496.26849 [M-H]- LPS 18:0 7.176 524.29852 [M-H]- LPS 18:0_2 7.542 524.29858 [M-H]- LPS 18:1 6.12 522.28424 [M-H]- LPS 18:1_2 6.352 522.28455 [M-H]- LPS 18:1_3 6.8 522.28436 [M-H]- LPS 18:2 5.237 520.26886 [M-H]- LPS 18:2_2 5.98 520.26898 [M-H]- LPS 20:4 5.98 544.26892 [M-H]- LPS 22:6 5.919 568.26965 [M-H]- LPS 22:6_2 5.366 568.26898 [M-H]- MMPE 32:2|MMPE 16:1_16:1 12.228 700.49335 [M-H]- NAGlySer 20:5;O 6.76 461.26645 [M-H]- OxFA 16:0;(2OH) 7.777 271.22787 [M-H]- PA 32:0|PA 16:0_16:0 13.611 647.466 [M-H]- PA 34:1|PA 16:0_18:1 13.715 673.48224 [M-H]- PA 34:2|PA 16:0_18:2 12.569 671.46619 [M-H]- PA 36:2|PA 18:0_18:2 14.066 699.49756 [M-H]- PE 32:0|PE 16:0_16:0 14.109 690.5105 [M-H]- PE 32:0|PE 16:0_16:0_2 14.159 690.51031 [M-H]- PE 32:1|PE 16:0_16:1 12.808 688.49438 [M-H]- PE 32:2|PE 16:1_16:1 11.623 686.47748 [M-H]- PE 34:1|PE 16:0_18:1 14.225 716.52466 [M-H]- PE 34:1|PE 16:0_18:1_2 14.285 716.52435 [M-H]- PE 34:2|PE 16:0_18:2 13.087 714.51129 [M-H]- PE 34:2|PE 16:0_18:2_2 13.136 714.51129 [M-H]- PE 34:3|PE 16:0_18:3 12.182 712.49603 [M-H]- PE 34:3|PE 16:1_18:2 11.876 712.49091 [M-H]- PE 36:1|PE 18:0_18:1 15.745 744.5592 [M-H]- PE 36:2|PE 18:1_18:1 14.422 742.54083 [M-H]- PE 36:3|PE 18:1_18:2 13.264 740.52496 [M-H]- PE 36:4|PE 18:2_18:2 12.188 738.5069 [M-H]- PE O-32:2|PE O-16:1_16:1 13.542 672.49969 [M-H]- PE O-34:3|PE O-16:1_18:2 13.768 698.51166 [M-H]- PE-Cer 34:1;2O 12.213 659.51587 [M-H]- PE-Cer 43:1;2O 17.626 785.64789 [M-H]- PEtOH 30:0|PEtOH 14:0_16:0 12.516 647.46539 [M-H]- PEtOH 32:0|PEtOH 16:0_16:0 13.97 675.49945 [M-H]- PEtOH 33:2|PEtOH 15:0_18:2 12.244 685.48364 [M-H]- PEtOH 34:1|PEtOH 16:0_18:1 14.08 701.51349 [M-H]- PEtOH 34:2|PEtOH 16:0_18:2 12.928 699.49841 [M-H]- PEtOH 36:2|PEtOH 18:0_18:2 14.406 727.53046 [M-H]- PEtOH 36:3|PEtOH 18:1_18:2 13.064 725.51251 [M-H]- PEtOH 36:4|PEtOH 18:2_18:2 13.768 723.49475 [M-H]- PEtOH 36:4|PEtOH 18:2_18:2_2 12.029 723.49841 [M-H]- PI O-16:0 6.558 571.28821 [M-H]- PMeOH 32:0|PMeOH 16:0_16:0 13.64 661.48431 [M-H]- PMeOH 34:1|PMeOH 16:0_18:1 13.75 687.49689 [M-H]- SL 26:0;O 9.644 490.35754 [M-H]- ST 24:1;O3;T 1.012 498.29102 [M-H]- ST 24:1;O3;T_2 1.541 498.28845 [M-H]- ST 24:1;O4;T 0.674 514.28339 [M-H]- ST 24:1;O4;T_2 1.16 514.28326 [M-H]- ST 24:1;O4;T_3 1.905 514.28607 [M-H]- ST 24:1;O4;T_4 1.538 514.28333 [M-H]- ST 27:1;O;S 8.899 465.30402 [M-H]- METABOLITES_END #END