#METABOLOMICS WORKBENCH iharris_20240529_092704 DATATRACK_ID:4875 STUDY_ID:ST003240 ANALYSIS_ID:AN005308 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 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 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 Cer 34:1;2O|Cer 18:1;2O/16:0 1.255879171 6.225176125 1.614902939 2.064055976 1.011646835 1.086446823 1.070566179 1.064956816 Cer 40:1;2O|Cer 18:1;2O/22:0 9.588218726 16.72327748 7.561382553 11.14059309 7.019643415 9.213603943 8.387420322 9.468778474 DMPE 32:0|DMPE 16:0_16:0 4.364501646 4.002107307 5.202767523 6.095732497 5.578225625 9.892188102 11.37863236 9.934869556 DMPE 32:0|DMPE 16:0_16:0_2 1.071682861 0.995045762 0.961793629 1.121642121 1.283086603 1.755900239 1.851645107 1.844119007 DMPE 34:1|DMPE 16:0_18:1 4.203287934 2.763684069 2.389887489 3.948196911 2.998383145 4.874340667 6.325084364 4.629872914 DMPE 34:2|DMPE 16:0_18:2 6.876016801 5.487750759 5.84567672 8.269700869 6.656876017 8.160472091 8.224700037 7.120385608 DMPE 34:5|DMPE 14:1_20:4 13.51677135 9.509476685 7.483791713 10.13786821 14.84190723 15.13558938 18.49305399 12.39679357 DMPE 36:2|DMPE 18:0_18:2 5.727767354 5.758758755 4.427010161 7.371232581 4.861032704 5.967052275 6.249011061 6.118420385 FA 16:0 0.44609202 1.354593724 0.379168812 0.498372948 0.227795651 0.354025124 0.354607237 0.294454509 FA 16:0_2 0.515138316 0.314815197 0.330763586 0.566129433 0.287115038 0.597300382 0.632724034 0.641052708 FA 16:0_3 0.138212646 0.499452513 0.145661239 0.292558381 0.094939519 0.167593783 0.321231721 0.131029153 FA 16:0_4 1.893755512 3.421081338 1.856334983 2.544366722 1.590500019 2.242436353 2.681524184 1.852440855 FA 16:0_5 0.125887128 0.497089023 0.113225786 0.156229359 0.083029602 0.149152274 0.289627859 0.141575896 FA 16:0_6 3.160919735 3.856922092 2.366607468 3.145380322 3.540514543 2.934954256 3.85094207 2.687446702 FA 16:0_7 0.176269684 0.214895771 0.257751721 0.343553499 0.160087803 0.295787833 0.270238095 0.238257452 FA 16:0_8 0.186812865 0.311741008 0.192052622 0.26004561 0.135256751 0.277940398 0.324685977 0.218476162 FA 16:0;2O 0.541811796 0.643282441 0.450881748 0.452245858 0.236584216 0.472850801 0.480746157 0.386446574 FA 16:0;2O_2 0.609636006 0.603413012 0.406567141 0.320930298 0.233027136 0.38051004 0.484355081 0.2961324 FA 16:0;2O_3 0.465873183 1.169340743 0.557403955 0.429582259 0.2525993 0.665716148 0.184195726 0.366222763 FA 16:1;2O 0.116372099 0.167373923 0.122096763 0.176521562 0.101946803 0.190910302 0.212767154 0.141161033 FA 16:2;2O 0.590544382 2.350515464 1.694135061 1.706241781 3.655015264 3.082644747 2.074282902 4.794696512 FA 16:2;2O_2 1.836000425 0.627114022 0.246715863 0.482197359 2.44395543 0.854044926 0.517514998 1.580468857 FA 16:2;2O_3 1.128231254 0.420308659 0.127355409 0.276609025 1.602774413 0.582279301 0.289745032 0.74343479 FA 16:2;2O_4 1.595720546 0.621453216 0.319531379 0.482815457 1.804437307 0.762525068 0.627413761 1.128062113 FA 16:2;2O_5 1.134717235 0.414379274 0.032412797 0.538929074 0.749143615 0.591410045 0.329457255 0.74517107 FA 17:2;2O 0.789568869 0.631865793 0.433522425 0.92727651 0.919055866 1.047612361 0.578473003 0.926288035 FA 18:0 0.549938511 0.663025019 0.511513516 0.887895982 0.377749338 0.22460332 0.064159168 0.484326623 FA 18:0_2 0.212984582 0.873268186 0.237308701 0.31665209 0.187823714 0.301937403 0.244656918 0.236825406 FA 18:0_3 1.61830912 2.57123732 1.280381019 1.527692211 1.420716568 1.355069255 1.840729284 1.11446382 FA 18:0_4 0.922465288 1.27551598 0.546964699 1.109676064 0.518363633 0.932898399 0.884125422 1.213219692 FA 18:0;2O 0.494676848 0.670842716 0.395256897 0.415725548 0.237354278 0.394256561 0.481735096 0.355740554 FA 18:0;2O_2 0.288643069 0.128330889 0.144319516 0.247978556 0.142729909 0.134282412 0.204893138 0.096795259 FA 18:0;2O_3 0.324197448 0.38098465 0.248515735 0.32938168 0.197012381 0.238778295 0.372956505 0.292712083 FA 18:0;2O_4 0.342719587 0.205107121 0.220128106 0.30672212 0.211136567 0.22436209 0.302516873 0.202622243 FA 18:0;2O_5 0.502474185 0.426907423 0.298876905 0.321200969 0.278633401 0.432388935 0.475374953 0.382488472 FA 18:1 1.01650739 0.938553395 1.025237224 1.032442073 1.075808564 0.724583518 0.742036933 0.489218936 FA 18:1_2 0.185107487 0.340350805 0.233208014 0.216665623 0.09532866 0.220542012 0.180324334 0.161529278 FA 18:1_3 0.340918781 1.208259819 0.528802355 0.555573286 0.158939563 0.654777978 0.387125047 0.282709272 FA 18:1;2O 0.258952854 0.328306097 0.220326973 0.332181301 0.252051213 0.355378893 0.415377765 0.280481303 FA 18:1;2O_2 0.593333323 0.329582877 0.309306093 0.456031204 0.39622807 0.346338162 0.402887139 0.308006705 FA 18:1;2O_3 0.281630699 0.370229118 0.457006347 0.566824288 0.262429228 0.555311925 0.679569741 0.481136787 FA 18:1;2O_4 0.378489447 0.729239923 0.625602737 0.833745735 0.327341836 0.441109227 0.958867642 0.340535051 FA 18:1;2O_5 0.212485898 0.305084396 0.205789546 0.358824159 0.200246091 0.355378893 0.407128796 0.270140454 FA 18:1;2O_6 0.127500158 0.3786005 0.227206762 0.605909907 0.176404334 0.190741081 0.413742032 0.262728232 FA 18:1;2O_7 0.366237808 0.453137202 0.515022637 0.740962334 0.334064115 0.687412464 0.842786839 0.536743816 FA 18:1;2O_8 0.555633368 0.325314547 0.429957923 0.498360828 0.349109086 0.406530498 0.546620735 0.367845339 FA 18:1;2O_9 0.381623157 0.514397868 0.523052834 0.711192626 0.339303821 0.630964597 0.807906824 0.534159372 FA 18:1;2O_10 0.288479919 0.412751276 0.259450901 0.52348874 0.092338849 0.402710419 0.494202287 0.36929275 FA 18:1;2O_11 0.346133423 0.797091089 0.317117285 0.466276282 0.228872641 0.484397447 0.967786839 0.308845651 FA 18:1;2O_12 0.222748954 0.542792802 0.342010897 0.337227082 0.145497745 0.414771929 0.604972816 0.31497026 FA 18:1;2O_13 0.309523187 0.438778588 0.448417308 0.644692537 0.267918313 0.55295723 0.640274653 0.405625545 FA 18:1;2O_14 0.293673014 0.366088879 0.293389184 0.361688418 0.144086422 0.338219145 0.501546682 0.320732249 FA 18:1;2O_15 0.37339178 0.261616016 0.299757961 0.343884767 0.230812867 0.32172188 0.425454631 0.29801004 FA 18:1;3O 4.902253163 0.140743342 2.006640646 1.931031557 1.724211167 0.461887428 1.170500562 0.514313547 FA 18:1;4O 0.512884999 0.19765717 4.824122311 7.272130843 0.411053806 0.546512423 0.567697788 0.212855534 FA 18:2 1.721767745 1.658281511 1.827448927 2.244803229 1.776013549 1.013321668 1.092885264 0.699465441 FA 18:2_2 0.676552118 2.200161147 1.298138077 0.585011726 0.293823615 0.625470309 0.454171354 0.350285871 FA 18:2_3 0.144110671 0.458769085 0.249837319 0.223226351 0.089845056 0.221992994 0.161890701 0.129372773 FA 18:2_4 0.20265996 0.233861538 0.186783906 0.241167357 0.211136567 0.30838581 0.296016123 0.213165913 FA 18:2_5 0.25008119 0.290907588 0.413663419 0.511199494 0.286638203 0.445959034 0.414463817 0.292174298 FA 18:2_6 0.298259682 0.27559862 0.545922535 0.625600171 0.339583345 0.549929251 0.501124859 0.383499509 FA 18:2;2O 0.535384303 0.379422763 0.438119021 0.274807248 0.28458836 0.278401256 0.352816835 0.233334409 FA 18:2;2O_2 1.019053145 0.715538293 0.508437371 0.770752242 0.70100245 1.10335094 1.281852268 1.015615757 FA 18:2;2O_3 0.810113451 0.256376671 0.711895894 1.905673374 0.690470971 0.325628369 0.539252906 0.289076653 FA 18:2;2O_4 0.546955637 0.292994236 0.402370796 0.291277746 0.359794029 0.273047386 0.344961567 0.308194162 FA 18:2;2O_5 0.177802678 0.244670785 0.289218012 0.377944803 0.179333856 0.347663127 0.438128046 0.262427072 FA 18:2;3O 0.80504041 0.106080202 0.98705225 0.640297172 1.018048484 0.400730171 0.337078178 0.239431361 FA 18:2;O 0.911845149 1.004954238 0.79619283 0.493096894 0.292675374 0.986678332 0.689421635 0.358887368 FA 19:2 0.020125933 0.368939942 0.046940155 0 0 0 0 0 FA 20:2;4O 0.16893717 0.204917051 0.038728711 0.217485714 0.186157531 0.252924466 0.211375141 0.183990277 FA 20:3 0.224469724 0.093547921 0.062346051 0.034492301 0.061199323 0.054057168 0.042974316 0.044408797 FA 20:3;2O 0.98349261 0.434671405 0.185766915 0.199379074 0.537883729 0.239422776 0.197140982 0.329542713 FA 20:3;3O 0.223321518 0.160853666 0.346607493 0.397715865 0.176070002 0.203097828 0.091193288 0.115851307 FA 20:3;4O 0.025226678 0.049761378 1.01294775 0 0.026787721 0.043079394 0.040002812 0.074272799 FA 20:4 6.847539437 8.64988947 3.110239005 1.374391749 1.405013894 1.05455043 1.095228721 0.938992067 FA 20:4_2 0.179058625 2.741280499 0.274179642 0.220471169 0.12509523 0.252128767 0.258862955 0.169301048 FA 20:4_3 0.089193778 0.74247464 0.099335306 0.122258199 0.057642242 0.125889761 0.133516123 0.104404157 FA 20:4_4 0.689370164 0.811028242 0.359292185 0.756673339 0.649380936 0.809179709 0.833572366 0.694640736 FA 20:4;2O 0.589494681 0.238212507 1.044401454 0.270840109 0.773958225 0.901909319 0.926977878 1.080199196 FA 20:4;2O_2 0.174798256 0.072445923 0.058987969 0.051637455 0.06517843 0.047227113 0.048828271 0.040109585 FA 20:4;3O 0.089181464 0.75450282 0.029059749 0.038011017 0.033093454 0.050139878 0.071981627 0.050579502 FA 20:4;3O_2 0.041486265 0.14942049 0.113082299 0.048555044 0.04982105 0.077179263 0.096751969 0.117012924 FA 20:5 2.124360291 1.252269487 0.489104482 0.815449222 0.493798403 0.304547729 0.411904762 0.32589499 FA 20:5_2 0.065983386 0.563651013 0.030864656 0.039283572 0.020736847 0.01581678 0.031852268 0.015860065 FA 20:5;2O 0.023478203 0.778877342 0 0 0.131770922 0.095073503 0.051462317 0.209472094 FA 20:5;3O 0.277222572 0.212920687 0.085039541 0.335982806 0.183781577 0.342860126 0.485151856 0.649414505 FA 20:5;4O 0.944419733 0.006780571 0.221326342 0.381180729 0.363964966 0.20159644 0.244530371 0.527306447 FA 21:2;2O 0.221877795 0.81077206 0.188457913 0.251060968 0.044866349 0.328105479 0.690823022 0.144559838 FA 22:5 0.286916142 0.217854265 0.105419628 0.097724146 0.115528383 0.052174132 0.054593176 0.05848956 FA 22:5;2O 0.593942827 0.382955602 0.128226396 0.120585699 0.338884535 0.15599313 0.133544244 0.167706129 FA 22:5;2O_2 0.661477677 0.537892279 0.200281686 0.146772053 0.091637298 0.22196779 0.573795463 0.308621318 FA 22:5;2O_3 1.914059987 0.779092205 0.299048082 0.326117475 1.060662198 0.622838379 0.478730784 0.785615619 FA 22:5;4O 0.069154037 1.924306345 0.020541195 0 0 0 0 0 FA 22:6 10.06970505 22.05260418 3.614578207 2.116246892 2.348618548 1.18602089 1.521733221 1.131531598 FA 22:6_2 0.003429228 0.378013759 0.096815485 0.11263122 0.033616877 0.120913938 0.039182602 0.03180003 FA 22:6_3 0.253864422 0.337921203 0.23140059 0.307425056 0.209615627 0.289112597 0.305385264 0.285336738 FA 28:5;2O 0.30665421 0 0.049273695 0.020882022 0.181463171 0.316890075 0.54633952 0.500103716 FA 28:6;2O 0.304757976 0.053699151 0.087363012 0.14627919 0.222999896 0.118832878 0.196855081 0.337136246 FA 28:6;2O_2 0.171606057 0.464144784 0.135921792 0.214552778 0.234493267 0.306484772 0.374109486 0.336085259 FA 28:7 0.469757999 0.717261327 0.873622563 0.636915811 0.732648956 1.439654645 1.019919385 0.798986505 FA 28:7_2 0.374974027 0.472057517 0.741466656 0.742194491 0.349443418 0.491843179 0.589084177 0.355884988 FA 28:7_3 0.643124845 0.633369832 1.206321956 1.426287755 0.783020833 1.411110271 1.521761342 1.204777994 FA 28:7_4 1.233980136 1.475693655 1.332088946 2.187017111 1.367897486 1.936945306 2.475309336 1.592333943 FA 28:7_5 0.50148605 0.780955726 0.422796195 0.6157308 0.42218818 0.523429933 0.662185977 0.43446929 FA 28:7_6 9.725957313 11.92395513 8.151415794 12.5494731 7.70500348 9.943840169 12.90160761 8.734421504 FA 28:7_7 1.602957632 2.073978886 1.490895543 2.329543274 1.542764438 2.141123269 2.685967379 1.734266314 FA 28:7_8 1.300425267 1.731384418 1.557639323 2.277429116 1.327585734 2.085525108 2.513592051 1.534812397 FA 28:7_9 0.410950133 0.781149929 0.397804408 0.560982655 0.237077494 0.534018859 0.728482377 0.454628567 FA 28:7_10 1.273320825 1.607966448 1.074191222 1.49546223 1.074819269 1.422487695 1.590162167 1.122066572 FA 28:7_11 1.643960604 2.229522963 1.491847084 2.322732075 1.51668923 2.080279251 2.666615111 1.718759651 FA 28:7_12 1.437874495 2.228304031 1.398377095 2.296719434 1.325289253 2.001458183 2.322384702 1.601350303 FA 28:7_13 0.484521532 0.675792823 0.403745244 0.622202651 0.423862584 0.589483803 0.700510874 0.471699418 LPA 16:0 4.797467789 1.210482821 4.208792689 4.187231223 2.708560561 8.752843456 11.28802025 11.80948869 LPA 16:0_2 6.589473133 1.669603124 5.67482231 6.044272795 3.621165451 11.91010034 15.98151012 16.00965248 LPA 18:0 0.770748135 0.489196951 0.546780935 0.687401907 0.454084065 0.926327576 1.879260405 1.026712578 LPA 18:0_2 1.365599061 0.795351528 0.910850962 1.193644497 0.813675303 1.583345035 10.66362955 1.723943904 LPA 18:1 0.262828435 0.153349999 0.253019191 0.24305397 0.180430029 0.347418297 0.353707349 0.336918058 LPA 18:2 0.455760964 0.189794021 0.479294551 0.436765125 0.375359682 0.799508899 0.909776903 0.749645446 LPA 18:2_2 0.331268306 0.367278888 0.398640153 0.403008078 0.249017555 0.594654051 0.542505624 0.547865222 LPE 16:0 1.649864786 2.739392186 1.108486962 1.257518679 1.229187791 0.817381536 0.716615111 1.098947938 LPE 16:0_2 0.566899951 0.709216371 0.347032918 0.383733919 0.358201838 0.330154135 0.300173416 0.391489466 LPE 16:0_3 49.58694431 19.48704006 25.01076525 47.45095108 24.28766312 43.85085133 52.12732471 54.24434826 LPE 16:0_4 175.0035046 61.08206103 88.15379716 177.0691401 79.90563597 151.0102073 198.1148294 188.5471707 LPE 16:1 0.207831506 0.041894097 0.092941356 0.12649601 0.143467085 0.184213464 0.229288526 0.238500224 LPE 16:1_2 0.624196371 0.131442266 0.243813412 0.326141714 0.412182864 0.517921244 0.74728159 0.548215551 LPE 17:0 5.447663492 3.393537591 3.048701009 4.789319425 2.457021808 5.193902277 7.695280277 6.342550978 LPE 17:0_2 2.780518663 1.428820528 1.438210902 2.336677662 1.380073224 2.238378645 2.151345144 3.782946665 LPE 18:0 3.640734544 16.50495217 3.186060181 3.699971923 3.099217333 2.46261832 2.260831459 2.688712803 LPE 18:0_2 87.84477974 85.73768568 53.40235443 79.37560775 59.01621788 105.1234127 89.24901575 127.6998357 LPE 18:0_3 337.7291434 393.0353738 229.4664752 372.508416 206.6694656 406.445383 449.1334458 444.6196335 LPE 18:1 1.07637727 1.148552776 0.861063737 0.521901076 0.586751109 0.732461304 1.187068804 0.769565024 LPE 18:1_2 36.41799021 17.80583848 26.17532262 26.92013 19.64832587 27.38791617 40.17738095 26.55131012 LPE 18:1_3 8.755806061 4.435865546 6.104193701 6.220826676 4.895381276 6.890452685 8.176054556 6.80954554 LPE 18:2 3.974474726 3.547152036 2.929962329 3.503525785 1.973179394 2.307071645 2.762031309 1.945124359 LPE 18:2_2 1.046844049 0.777290664 0.774604437 0.906168256 0.529810417 0.759669911 0.727455943 0.703518808 LPE 18:2_3 10.29141354 2.349804764 6.005210818 5.029367742 6.030692836 7.731860029 6.164974691 13.04214241 LPE 18:2_4 10.51341139 3.970584468 6.159264746 5.154377084 5.221298088 8.490953867 10.66523716 8.487442707 LPE 18:3 0.597846113 0.052447162 0.264090291 0.601756934 0.213687909 0.238112212 0.218728909 0.155506079 LPE 19:0 0.446021219 1.016279983 0.361477204 0.563459087 0.33162239 0.643116118 0.699957818 0.614052798 LPE 19:0_2 0.15647005 0.251455488 0.107755686 0.154552818 0.114736398 0.186528553 0.1702006 0.191294942 LPE 20:1 0.131092535 0.130500176 0.149666269 0.118945516 0.113368922 0.184094649 0.183281777 0.224069132 LPE 20:1_2 0.438639452 0.467603248 0.51949085 0.445495256 0.336711372 0.605945064 0.88623922 0.699373249 LPE 20:2 0.415130466 0.357638989 0.380266356 0.489036837 0.300617145 0.557817839 0.986567304 0.524814195 LPE 20:3 3.012751863 0.420610293 1.373851008 0.891733846 1.813173804 2.747323965 3.416666667 3.579384066 LPE 20:3_2 0.295433802 0.065611636 0.137953256 0.097546393 0.170101341 0.250465358 0.285109674 0.283317738 LPE 20:4 0.841792249 1.685515361 0.536417198 0.344547304 0.550034803 0.379012252 0.284612861 0.398837154 LPE 20:4_2 2.149962522 7.655955209 1.621729866 1.021530419 1.542106734 0.888303216 0.957339708 0.875524149 LPE 20:4_3 30.42893665 12.11244758 16.7129154 15.92283873 19.33503423 20.5039983 15.96462317 27.77278098 LPE 20:4_4 26.86321415 17.12636407 15.10113895 12.78489578 14.9026215 19.61848183 20.74134796 21.6526489 LPE 20:5 0.444275822 0.739958267 0.20458124 0.202469565 0.190246255 0.102382418 0.104649419 0.084933245 LPE 20:5_2 1.379719228 0.430002273 0.49638704 0.511252012 0.356697341 0.528218533 0.465124672 0.401452328 LPE 20:5_3 5.034056785 1.543218396 1.263228114 1.65845835 2.326311434 1.555067094 1.496944132 1.491565217 LPE 22:4 0.222151763 0.161316447 0.190109264 0.125780955 0.150575765 0.270260637 0.300351519 0.260008574 LPE 22:5 2.379477582 0.722913869 1.063117605 0.893858811 0.778896483 1.149163075 1.200093738 1.269582694 LPE 22:5_2 0.69171583 0.305600893 0.337771759 0.285880497 0.260121785 0.389223131 0.370266217 0.454779147 LPE 22:6 4.45995361 9.466351259 3.026621741 2.34890631 3.214852592 1.974670829 1.850276528 2.099204538 LPE 22:6_2 42.45696458 15.77812119 21.70272662 17.89345685 24.40299146 36.21460847 36.18574241 42.98471921 LPE 22:6_3 29.53350808 9.291052208 15.69588207 14.43222433 12.50106877 29.88733829 32.18600019 26.5931314 LPE O-16:1 0.610642611 2.31910832 0.838267038 0.7057065 0.768307455 0.940909402 0.737762467 0.831902055 LPG 16:0 3.004735966 0.703328306 1.619232701 2.261398962 1.462160118 2.312411114 3.33308024 3.213600751 LPG 18:0 2.782137849 12.46328533 1.704994707 2.09763527 1.595515009 2.142116993 1.48970285 2.470826669 LPG 18:1 2.130753922 1.958395141 1.118865804 1.62845837 1.188862337 1.861267431 1.853890139 3.606113547 LPG 18:2 0.782922816 2.748627151 1.199479925 0.990253844 0.367445315 0.942576411 0.655666479 0.930679438 LPG 18:2_2 1.816551718 3.239121542 1.132431551 1.374674539 1.732722948 1.632325567 1.447642482 2.268189061 LPG 18:2_3 0.982935437 1.790583228 0.618685187 0.741786465 0.93145358 0.939267596 0.800726472 1.353821428 LPI 16:0 52.41956014 10.85796335 15.95806676 28.58796082 12.41134429 30.4001865 41.03193663 41.80892325 LPI 16:0_2 61.65565199 10.84892259 19.07644924 38.38319662 13.59043699 34.42933935 51.1032949 52.07615044 LPI 18:0 351.8335993 276.8979113 176.7069393 179.2895911 168.9225609 386.6750485 503.2383952 446.280807 LPI 18:0_2 543.9431622 479.1662666 286.0380541 313.6513482 250.3489008 581.9920142 760.2871391 602.4826026 LPI 18:1 8.14099543 6.774030535 3.847023478 4.82483785 1.279940587 2.466362789 3.659715973 1.941903792 LPI 20:4 61.72459978 30.33952854 16.89137207 19.37472302 45.33571111 33.65852965 27.32657949 38.32259452 LPI 20:4_2 48.03119858 29.59092618 21.10312762 21.96757207 29.18494078 29.87720303 31.50818335 35.38055398 LPS 16:0 1.155665075 1.117228271 0.652739267 1.178886898 0.645264808 1.789751677 2.563788901 2.311841885 LPS 16:0_2 1.158660262 1.136313865 0.675087885 1.091444188 0.661893748 1.643396953 2.225074991 2.265951873 LPS 18:0 11.22689389 19.30849328 8.649502014 12.00801104 7.033408604 19.02908084 25.61586052 23.96625165 LPS 18:0_2 12.3644801 24.66878499 9.771189715 14.00753029 7.771530202 20.369003 28.10661792 26.83504272 LPS 20:4 2.474584776 1.924438568 1.716355297 1.440382817 1.132801324 1.696586413 1.705516498 1.622075023 LPS 20:4_2 2.295821668 1.656219656 1.430251189 1.234204663 1.199577425 1.422736127 1.47158324 1.433496666 LPS 22:6 6.18269102 2.877429085 3.819592423 2.422144881 2.287756299 3.459079077 4.310044057 3.28861723 LPS 22:6_2 4.884242022 2.535681673 3.20770899 2.032662246 1.975138803 3.171619087 3.892369704 2.783811732 NAGlySer 13:1;O 0.386588457 0.507691672 0.212445296 0.112441346 0.087381408 0.088884328 0.086951631 0.072853045 PA 32:0|PA 16:0_16:0 3.861165537 1.022477946 3.233496245 3.477513145 1.72442218 4.629387599 9.776734158 5.600557453 PA 34:1|PA 16:0_18:1 10.67618272 8.119538045 10.5466299 12.1838539 6.211994322 16.29029715 30.66973191 20.58581752 PA 34:2|PA 16:0_18:2 17.67036627 14.65196372 21.06723591 23.02483502 14.65250503 36.61881308 70.63555493 42.10305508 PA 36:2|PA 18:0_18:2 5.270658095 12.53255377 5.311902691 5.281636627 3.69154796 6.96685425 9.91319835 7.167861319 PA 36:4|PA 16:0_20:4 18.2728637 12.59664897 14.12580979 10.70584386 9.308309537 24.71096301 43.18666104 27.85506832 PA 36:4|PA 18:2_18:2 3.677332467 3.352267421 5.302719569 5.143214959 4.57800091 8.539898395 11.02993532 7.971276104 PE 32:0|PE 16:0_16:0 5.327089512 6.257070843 5.043092457 6.396334234 5.99885998 11.77560911 15.12676697 13.74306141 PE 33:2|PE 15:0_18:2 5.138909881 3.378695535 5.101184265 8.609974004 4.545151354 9.841288529 12.51349831 11.72935556 PE 34:1|PE 16:0_18:1 44.00660911 18.75952317 35.84075036 44.70891819 34.89292037 70.45350558 103.4562336 75.09781091 PE 34:1|PE 16:0_18:1_2 44.97848421 19.03171291 37.5757337 47.59472152 34.89292037 72.18975096 105.6244938 78.34435179 PE 34:2|PE 16:0_18:2 401.7783223 307.1062868 299.1818009 590.3568769 427.5868964 617.8544626 665.1434571 607.9480284 PE 34:3|PE 16:0_18:3 265.2101048 34.8375266 178.8333759 360.3547803 139.6275644 380.1383293 287.2957818 402.2966333 PE 34:3|PE 16:1_18:2 6.970991629 4.142011859 5.236209898 7.604223267 11.55327125 13.06442647 13.86907574 10.66890385 PE 35:2|PE 17:0_18:2 11.25636862 10.56276677 8.728421991 16.02972123 8.659769913 14.34246768 19.70936914 13.74527709 PE 35:4|PE 15:0_20:4 29.15663166 23.51165837 18.82672772 31.54560494 21.73162129 29.38474417 34.67278778 41.30314666 PE 36:1|PE 18:0_18:1 63.0515754 44.85400905 66.40542429 54.36671804 45.10949395 73.952042 84.33440195 70.53427922 PE 36:2|PE 18:0_18:2 806.9447953 886.8404355 644.4340385 1040.193945 788.5273687 1045.521133 1097.280015 953.9200605 PE 36:3|PE 18:0_18:3 37.49056578 16.0438196 24.18328485 42.10701178 41.06767496 57.97379952 73.63375516 59.20617316 PE 36:3|PE 18:1_18:2 228.3814077 241.7804847 202.752651 231.3972856 198.3592487 237.8110987 303.2106112 201.4986947 PE 36:4|PE 16:0_20:4 432.8292451 399.7012417 289.1725196 503.9767466 391.3476457 521.8504877 612.5305212 511.5980437 PE 36:4|PE 18:2_18:2 500.3590961 582.9847571 486.3359517 644.437056 378.2619743 462.5957666 342.6755906 355.1831252 PE 36:5|PE 16:0_20:5 162.7747684 138.3117989 97.17267064 209.7066781 107.1604084 126.1593055 139.1406918 102.0722876 PE 37:4|PE 17:0_20:4 52.0825231 58.86924777 35.14568515 55.66561698 39.10894587 54.93464102 64.24947507 52.47548236 PE-Cer 34:1;2O 24.62402091 63.43755552 25.2951878 32.01264879 21.93848827 27.07455093 23.92576865 32.63384638 PG 34:1|PG 16:0_18:1 125.2625529 111.5423094 82.09570032 149.2736619 118.0130335 153.6222047 136.247844 123.4158051 PG 34:2|PG 16:0_18:2 61.74896146 33.9733157 38.89501209 66.63149836 51.9600171 58.46253551 62.82453131 55.44344416 PG 36:2|PG 18:1_18:1 133.882806 301.1425242 101.4147597 116.4676539 76.62674223 117.6284695 138.8903168 170.5585564 PI O-17:0 3.966215644 1.68662273 1.680073405 2.026671137 0.988353165 2.999287111 6.087064117 4.060324177 PI O-17:0_2 4.478392634 1.600545421 1.695433989 2.43321813 1.041777883 3.252355595 5.871006749 4.802228583 PI O-18:0 3.118112878 2.700625994 1.729457861 1.840894263 1.83498216 2.884011478 3.80783652 3.431179579 PMeOH 38:6|PMeOH 19:3_19:3 0.353071914 1.468231308 0.152498235 0.115681312 0.310192214 0.082540334 0.114665354 0.049534662 SE 28:1;O;S 3.705188015 3.005685598 2.062111942 1.414301499 4.937170121 5.652869739 3.500351519 3.139942564 SE 29:2;O;S 0.552336508 0.553428506 0.321061899 0.206735654 1.048143906 0.912865491 1.081533558 0.858299645 SL 32:0;O 2.69327345 3.621560647 3.004026427 3.915356911 2.175971346 5.726981418 2.697848706 2.212382283 ST 24:1;O3;T 0.550548015 0.118695122 0.452726932 0.465040085 2.578886069 1.813705476 0.51951631 3.465585564 ST 24:1;O3;T_2 0.491318421 0.105286862 0.403886213 0.399113655 2.145854001 1.813705476 0.527573116 2.419611043 ST 24:1;O3;T_3 0.608518583 0.370935686 5.925329232 1.827724328 6.128803034 7.98410761 4.192074428 5.249552486 ST 24:1;O3;T_4 30.35214842 10.07349544 82.74242575 99.22073578 218.4635386 105.4895785 62.06119704 109.7711461 ST 24:1;O3;T_5 0.595278809 0.219647543 1.095631094 1.009746156 1.102670277 1.213380715 1 0.927640181 ST 24:1;O3;T_6 0.480424313 0.133446274 0.586118834 0.570254127 2.352397604 0.797438639 0.573209599 0.715411552 ST 24:1;O3;T_7 0.591920383 0.206780571 1.13267573 1.102073053 1.139556489 1.259768923 1 0.927640181 ST 24:1;O3;T_8 11.63254626 4.711191455 225.0209578 104.172211 23.20245488 33.39564273 19.6023997 23.94120006 ST 24:1;O3;T_9 0.809937988 0.30940231 6.446788613 2.671286917 3.664910963 4.901290042 3.551743532 3.246390306 ST 24:1;O3;T_10 0.752133648 0.689403549 8.96033611 5.87463515 2.455100766 5.764084063 2.56022216 1.927952097 ST 24:1;O3;T_11 0.462496287 0.178319526 2.011154171 1.691249871 0.719442815 1.016400053 1.112373453 0.984384243 ST 24:1;O3;T_12 0.549630681 0.294076813 1.891670369 1.862515579 0.826319655 1.108524787 1.216432321 1.131712909 ST 24:1;O4;T 1681.115946 2230.922348 10015.01994 7455.655416 928.7579377 1331.809277 708.9224597 841.0810166 ST 24:1;O4;T_2 902.829987 952.3410367 6375.488152 4831.02494 476.2727935 784.2103239 397.8363705 601.5739601 ST 24:1;O4;T_3 31.05341622 33.46297544 793.777347 386.4282774 30.94590388 26.31354886 13.42585771 20.20920166 ST 24:1;O4;T_4 13.1810272 16.17415036 362.0089188 122.9430683 6.444182885 10.11850524 5.906430446 6.281224983 ST 27:1;O;S 161.2203617 159.8416462 105.4300599 126.4767395 219.4559914 235.6494169 205.1266029 182.1225813 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 13.999 536.50537 [M-H]- Cer 40:1;2O|Cer 18:1;2O/22:0 18.363 620.59888 [M-H]- DMPE 32:0|DMPE 16:0_16:0 15.385 718.54382 [M-H]- DMPE 32:0|DMPE 16:0_16:0_2 13.525 718.54266 [M-H]- DMPE 34:1|DMPE 16:0_18:1 13.648 744.55621 [M-H]- DMPE 34:2|DMPE 16:0_18:2 12.568 742.54242 [M-H]- DMPE 34:5|DMPE 14:1_20:4 11.521 736.49371 [M-H]- DMPE 36:2|DMPE 18:0_18:2 13.971 770.57281 [M-H]- FA 16:0 6.11 255.23318 [M-H]- FA 16:0_2 6.481 255.23431 [M-H]- FA 16:0_3 8.384 255.23401 [M-H]- FA 16:0_4 18.407 255.23421 [M-H]- FA 16:0_5 8.246 255.23407 [M-H]- FA 16:0_6 8.827 255.23317 [M-H]- FA 16:0_7 22.772 255.23434 [M-H]- FA 16:0_8 21.192 255.23425 [M-H]- FA 16:0;2O 7.84 271.22827 [M-H]- FA 16:0;2O_2 7.738 271.22882 [M-H]- FA 16:0;2O_3 7.489 271.22894 [M-H]- FA 16:1;2O 36.958 269.2142 [M-H]- FA 16:2;2O 1.55 283.19247 [M-H]- FA 16:2;2O_2 5.875 283.19241 [M-H]- FA 16:2;2O_3 5.161 283.19244 [M-H]- FA 16:2;2O_4 5.654 283.1925 [M-H]- FA 16:2;2O_5 6.342 283.1925 [M-H]- FA 17:2;2O 6.352 297.20734 [M-H]- FA 18:0 7.485 283.26413 [M-H]- FA 18:0_2 7.217 283.26514 [M-H]- FA 18:0_3 9.748 283.26538 [M-H]- FA 18:0_4 7.598 283.2645 [M-H]- FA 18:0;2O 8.396 299.25961 [M-H]- FA 18:0;2O_2 5.773 315.25571 [M-H]- FA 18:0;2O_3 8.829 299.25977 [M-H]- FA 18:0;2O_4 5.628 315.25409 [M-H]- FA 18:0;2O_5 8.637 299.26096 [M-H]- FA 18:1 8.951 281.24954 [M-H]- FA 18:1_2 6.808 281.24887 [M-H]- FA 18:1_3 6.421 281.24954 [M-H]- FA 18:1;2O 37.003 313.24026 [M-H]- FA 18:1;2O_2 5.048 313.24011 [M-H]- FA 18:1;2O_3 23.253 313.24026 [M-H]- FA 18:1;2O_4 6.332 297.24445 [M-H]- FA 18:1;2O_5 36.925 313.24033 [M-H]- FA 18:1;2O_6 7.06 313.23895 [M-H]- FA 18:1;2O_7 22.635 313.24033 [M-H]- FA 18:1;2O_8 4.839 313.24023 [M-H]- FA 18:1;2O_9 22.01 313.23901 [M-H]- FA 18:1;2O_10 21.128 313.23895 [M-H]- FA 18:1;2O_11 8.217 313.24017 [M-H]- FA 18:1;2O_12 6.299 313.23898 [M-H]- FA 18:1;2O_13 21.351 313.24033 [M-H]- FA 18:1;2O_14 8.835 313.23895 [M-H]- FA 18:1;2O_15 4.599 313.24008 [M-H]- FA 18:1;3O 1.536 329.23499 [M-H]- FA 18:1;4O 1.245 345.22992 [M-H]- FA 18:2 8.367 279.23398 [M-H]- FA 18:2_2 5.663 279.23401 [M-H]- FA 18:2_3 6.166 279.23407 [M-H]- FA 18:2_4 21.218 279.23419 [M-H]- FA 18:2_5 21.407 279.23395 [M-H]- FA 18:2_6 22.063 279.23407 [M-H]- FA 18:2;2O 6.005 311.22382 [M-H]- FA 18:2;2O_2 6.364 311.22397 [M-H]- FA 18:2;2O_3 6.012 295.22885 [M-H]- FA 18:2;2O_4 5.923 311.22372 [M-H]- FA 18:2;2O_5 22.632 311.22382 [M-H]- FA 18:2;3O 1.545 327.21786 [M-H]- FA 18:2;O 7.053 295.22873 [M-H]- FA 19:2 6.107 293.25024 [M-H]- FA 20:2;4O 1.781 371.24628 [M-H]- FA 20:3 8.626 305.24966 [M-H]- FA 20:3;2O 5.146 337.23962 [M-H]- FA 20:3;3O 1.564 353.23303 [M-H]- FA 20:3;4O 0.91 369.22943 [M-H]- FA 20:4 8.259 303.23453 [M-H]- FA 20:4_2 5.678 303.23331 [M-H]- FA 20:4_3 6.145 303.23453 [M-H]- FA 20:4_4 14.124 303.23318 [M-H]- FA 20:4;2O 6.395 319.22842 [M-H]- FA 20:4;2O_2 4.392 335.22415 [M-H]- FA 20:4;3O 7.254 351.22308 [M-H]- FA 20:4;3O_2 1.066 351.21823 [M-H]- FA 20:5 7.738 301.21835 [M-H]- FA 20:5_2 4.953 301.21814 [M-H]- FA 20:5;2O 1.534 333.20786 [M-H]- FA 20:5;3O 6.657 349.2023 [M-H]- FA 20:5;4O 1.551 365.211 [M-H]- FA 21:2;2O 8.839 353.27045 [M-H]- FA 22:5 8.397 329.24933 [M-H]- FA 22:5;2O 5.263 361.23938 [M-H]- FA 22:5;2O_2 7.289 345.24536 [M-H]- FA 22:5;2O_3 5.108 361.23944 [M-H]- FA 22:5;4O 0.672 409.22327 [M-H]- FA 22:6 8.118 327.23383 [M-H]- FA 22:6_2 5.643 327.23373 [M-H]- FA 22:6_3 21.197 327.2338 [M-H]- FA 28:5;2O 9.877 429.33832 [M-H]- FA 28:6;2O 9.121 427.32291 [M-H]- FA 28:6;2O_2 9.389 427.32315 [M-H]- FA 28:7 20.725 409.3121 [M-H]- FA 28:7_2 24.889 409.31403 [M-H]- FA 28:7_3 24.022 409.31418 [M-H]- FA 28:7_4 23.276 409.31195 [M-H]- FA 28:7_5 19.61 409.31427 [M-H]- FA 28:7_6 10.39 409.31213 [M-H]- FA 28:7_7 22.643 409.31207 [M-H]- FA 28:7_8 21.372 409.31195 [M-H]- FA 28:7_9 19.419 409.31406 [M-H]- FA 28:7_10 23.611 409.31403 [M-H]- FA 28:7_11 22.018 409.31213 [M-H]- FA 28:7_12 18.395 409.31183 [M-H]- FA 28:7_13 18.057 409.31216 [M-H]- LPA 16:0 6.634 409.23651 [M-H]- LPA 16:0_2 6.973 409.23669 [M-H]- LPA 18:0 7.727 437.26935 [M-H]- LPA 18:0_2 7.876 437.26965 [M-H]- LPA 18:1 7.16 435.25436 [M-H]- LPA 18:2 6.53 433.23682 [M-H]- LPA 18:2_2 6.186 433.23657 [M-H]- LPE 16:0 6.235 452.27957 [M-H]- LPE 16:0_2 6.834 452.27957 [M-H]- LPE 16:0_3 7.023 452.27979 [M-H]- LPE 16:0_4 6.487 452.27979 [M-H]- LPE 16:1 6.226 450.26523 [M-H]- LPE 16:1_2 5.42 450.26523 [M-H]- LPE 17:0 7.07 466.29547 [M-H]- LPE 17:0_2 7.509 466.29565 [M-H]- LPE 18:0 7.425 480.31174 [M-H]- LPE 18:0_2 7.974 480.31177 [M-H]- LPE 18:0_3 7.609 480.31174 [M-H]- LPE 18:1 6.578 478.29553 [M-H]- LPE 18:1_2 6.774 478.29526 [M-H]- LPE 18:1_3 7.232 478.29507 [M-H]- LPE 18:2 5.999 476.28036 [M-H]- LPE 18:2_2 6.572 476.28043 [M-H]- LPE 18:2_3 6.397 476.28067 [M-H]- LPE 18:2_4 5.773 476.28052 [M-H]- LPE 18:3 5.214 474.26443 [M-H]- LPE 19:0 8.068 494.3284 [M-H]- LPE 19:0_2 8.406 494.32812 [M-H]- LPE 20:1 8.083 506.32788 [M-H]- LPE 20:1_2 7.744 506.32803 [M-H]- LPE 20:2 7.083 504.30978 [M-H]- LPE 20:3 6.312 502.29568 [M-H]- LPE 20:3_2 6.774 502.29501 [M-H]- LPE 20:4 6.536 500.28064 [M-H]- LPE 20:4_2 6.017 500.28043 [M-H]- LPE 20:4_3 6.382 500.28067 [M-H]- LPE 20:4_4 5.814 500.28061 [M-H]- LPE 20:5 5.26 498.26572 [M-H]- LPE 20:5_2 5.8 498.26297 [M-H]- LPE 20:5_3 5.024 498.26526 [M-H]- LPE 22:4 6.753 528.31177 [M-H]- LPE 22:5 6.161 526.29651 [M-H]- LPE 22:5_2 6.597 526.29639 [M-H]- LPE 22:6 5.989 524.28064 [M-H]- LPE 22:6_2 5.825 524.2807 [M-H]- LPE 22:6_3 6.32 524.27777 [M-H]- LPE O-16:1 7.42 436.28506 [M-H]- LPG 16:0 6.378 483.27399 [M-H]- LPG 18:0 7.492 511.30573 [M-H]- LPG 18:1 6.493 509.28885 [M-H]- LPG 18:2 6.349 507.27454 [M-H]- LPG 18:2_2 5.741 507.27432 [M-H]- LPG 18:2_3 6.186 507.2742 [M-H]- LPI 16:0 5.837 571.29004 [M-H]- LPI 16:0_2 6.515 571.29004 [M-H]- LPI 18:0 7.052 599.32007 [M-H]- LPI 18:0_2 7.471 599.32007 [M-H]- LPI 18:1 6.739 597.30542 [M-H]- LPI 20:4 5.139 619.29144 [M-H]- LPI 20:4_2 5.91 619.29163 [M-H]- LPS 16:0 6.549 496.26904 [M-H]- LPS 16:0_2 5.895 496.26929 [M-H]- LPS 18:0 7.087 524.30005 [M-H]- LPS 18:0_2 7.492 524.29999 [M-H]- LPS 20:4 5.948 544.27002 [M-H]- LPS 20:4_2 5.214 544.26965 [M-H]- LPS 22:6 5.887 568.27124 [M-H]- LPS 22:6_2 5.258 568.27112 [M-H]- NAGlySer 13:1;O 8.253 371.22137 [M-H]- PA 32:0|PA 16:0_16:0 13.414 647.46844 [M-H]- PA 34:1|PA 16:0_18:1 13.511 673.4856 [M-H]- PA 34:2|PA 16:0_18:2 12.414 671.46851 [M-H]- PA 36:2|PA 18:0_18:2 13.87 699.50116 [M-H]- PA 36:4|PA 16:0_20:4 12.18 695.46777 [M-H]- PA 36:4|PA 18:2_18:2 11.547 695.46796 [M-H]- PE 32:0|PE 16:0_16:0 13.925 690.50848 [M-H]- PE 33:2|PE 15:0_18:2 12.082 700.49591 [M-H]- PE 34:1|PE 16:0_18:1 14.045 716.52704 [M-H]- PE 34:1|PE 16:0_18:1_2 14.001 716.52728 [M-H]- PE 34:2|PE 16:0_18:2 12.932 714.50873 [M-H]- PE 34:3|PE 16:0_18:3 12.041 712.49384 [M-H]- PE 34:3|PE 16:1_18:2 11.736 712.49341 [M-H]- PE 35:2|PE 17:0_18:2 13.642 728.52423 [M-H]- PE 35:4|PE 15:0_20:4 12.051 724.49384 [M-H]- PE 36:1|PE 18:0_18:1 15.498 744.55664 [M-H]- PE 36:2|PE 18:0_18:2 14.386 742.54358 [M-H]- PE 36:3|PE 18:0_18:3 13.29 740.52771 [M-H]- PE 36:3|PE 18:1_18:2 13.05 740.52753 [M-H]- PE 36:4|PE 16:0_20:4 12.707 738.50922 [M-H]- PE 36:4|PE 18:2_18:2 12.045 738.50946 [M-H]- PE 36:5|PE 16:0_20:5 11.807 736.49384 [M-H]- PE 37:4|PE 17:0_20:4 13.402 752.52539 [M-H]- PE-Cer 34:1;2O 12.064 659.51379 [M-H]- PG 34:1|PG 16:0_18:1 12.752 747.52075 [M-H]- PG 34:2|PG 16:0_18:2 11.839 745.50623 [M-H]- PG 36:2|PG 18:1_18:1 12.099 773.5365 [M-H]- PI O-17:0 7.011 585.30591 [M-H]- PI O-17:0_2 6.505 585.30615 [M-H]- PI O-18:0 7.835 599.32031 [M-H]- PMeOH 38:6|PMeOH 19:3_19:3 11.88 733.47247 [M-H]- SE 28:1;O;S 9.074 479.32162 [M-H]- SE 29:2;O;S 8.831 491.32263 [M-H]- SL 32:0;O 10.543 574.45404 [M-H]- ST 24:1;O3;T 3.742 498.29214 [M-H]- ST 24:1;O3;T_2 3.808 498.29242 [M-H]- ST 24:1;O3;T_3 0.736 498.29004 [M-H]- ST 24:1;O3;T_4 1.532 498.29007 [M-H]- ST 24:1;O3;T_5 3.214 498.29233 [M-H]- ST 24:1;O3;T_6 3.585 498.29227 [M-H]- ST 24:1;O3;T_7 3.146 498.29245 [M-H]- ST 24:1;O3;T_8 0.989 498.28983 [M-H]- ST 24:1;O3;T_9 1.133 498.28979 [M-H]- ST 24:1;O3;T_10 1.262 498.28958 [M-H]- ST 24:1;O3;T_11 2.511 498.2926 [M-H]- ST 24:1;O3;T_12 2.612 498.29242 [M-H]- ST 24:1;O4;T 1.127 514.28485 [M-H]- ST 24:1;O4;T_2 0.666 514.28473 [M-H]- ST 24:1;O4;T_3 1.517 514.28491 [M-H]- ST 24:1;O4;T_4 1.898 514.28479 [M-H]- ST 27:1;O;S 8.849 465.3056 [M-H]- METABOLITES_END #END