#METABOLOMICS WORKBENCH sbhattacharya_20170403_140246_mwtab.txt DATATRACK_ID:876 STUDY_ID:ST000580 ANALYSIS_ID:AN000891 PROJECT_ID:PR000425 VERSION 1 CREATED_ON April 5, 2017, 6:08 pm #PROJECT PR:PROJECT_TITLE Phosphatidylserine Analysis of Aqueous Humor and Trabecular Meshwork in DBA/2J PR:PROJECT_TITLE mice PR:PROJECT_SUMMARY Compared Phosphatidylserine (PS) profiles within aqueous humor (AH) and PR:PROJECT_SUMMARY trabecular meshwork (TM) of normotensive and hypertensive DBA/2J mice using PR:PROJECT_SUMMARY direct infusion triple quadrupole mass spectrometry. PR:INSTITUTE University of Miami PR:LAST_NAME Bhattacharya PR:FIRST_NAME Sanjoy PR:ADDRESS McKnight Vision Research Building, Bascom Palmer Eye Institute, University of PR:ADDRESS Miami Miller School of Medicine, 1638 NW 10th Avenue, Room 706A, Miami, Florida PR:ADDRESS 33136 PR:EMAIL Sbhattacharya@med.miami.edu PR:PHONE 305-482-4103 #STUDY ST:STUDY_TITLE DBA2J Phosphatidylethserine Analysis ST:STUDY_SUMMARY AH and TM samples were obtained from young-normotensive DBA/2J (3 and 7.5 ST:STUDY_SUMMARY months) and old-hypertensive DBA/2J mice (8-8.5, 10 and 12 month). Lipids were ST:STUDY_SUMMARY extracted using modified Bligh and Dyer method and subjected to mass ST:STUDY_SUMMARY spectrometric identification using appropriate class-specific lipid standards ST:STUDY_SUMMARY and ratiometric quantification. Corresponding aqueous phase (of extraction) ST:STUDY_SUMMARY protein concentrations were measured using Bradford method. ST:INSTITUTE University of Miami ST:LAST_NAME Bhattacharya ST:FIRST_NAME Sanjoy ST:ADDRESS McKnight Vision Research Building, Bascom Palmer Eye Institute, University of ST:ADDRESS Miami Miller School of Medicine, 1638 NW 10th Avenue, Room 706A, Miami, Florida ST:ADDRESS 33136 ST:EMAIL SBhattacharya@med.miami.edu ST:PHONE 305-482-4103 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN DBA/2J #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - DBA2J 3M MTML5 Tissue Location:TM | Sex:Male | Phenotype:Normotensive Age (months)=3; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 7.5M MTML6 Tissue Location:TM | Sex:Male | Phenotype:Normotensive Age (months)=7.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 8-8.5M MTM2L8 Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Age (months)=8-8.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 10M MTML2 Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Age (months)=10; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 12M MTML6 Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Age (months)=12; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 3M MAHL5 Tissue Location:AH | Sex:Male | Phenotype:Normotensive Age (months)=3; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 7.5M MAHL6 Tissue Location:AH | Sex:Male | Phenotype:Normotensive Age (months)=7.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 8-8.5M MAH2L5 Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Age (months)=8-8.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 10M MAHL4 Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Age (months)=10; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 12M MAHL6 Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Age (months)=12; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 3M FTML3 Tissue Location:TM | Sex:Female | Phenotype:Normotensive Age (months)=3; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 7.5M FTM2L5 Tissue Location:TM | Sex:Female | Phenotype:Normotensive Age (months)=7.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 8-8.5M FTM3L6 Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Age (months)=8-8.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 10M FTML2 Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Age (months)=10; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 12M FTML6 Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Age (months)=12; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 3M FAH2L7 Tissue Location:AH | Sex:Female | Phenotype:Normotensive Age (months)=3; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 7.5M FAH2L6 Tissue Location:AH | Sex:Female | Phenotype:Normotensive Age (months)=7.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 8-8.5M FAH3L8 Tissue Location:AH | Sex:Female | Phenotype:Hypertensive Age (months)=8-8.5; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 10M FAHL3 Tissue Location:AH | Sex:Female | Phenotype:Hypertensive Age (months)=10; Lipid Class=PS SUBJECT_SAMPLE_FACTORS - DBA2J 12M FAHL6 Tissue Location:AH | Sex:Female | Phenotype:Hypertensive Age (months)=12; Lipid Class=PS #COLLECTION CO:COLLECTION_SUMMARY DBA/2J mice were anesthetized by an intraperitoneal injection of a cocktail of CO:COLLECTION_SUMMARY Ketamine and Xylazine. A drop of tetracaine hydrochloride ophthalmic solution CO:COLLECTION_SUMMARY (0.5%, Bausch & Lomb, USA) was used to anesthetize the ocular surface prior to CO:COLLECTION_SUMMARY AH procurement. Normotensive and hypertensive AH was obtained from the anterior CO:COLLECTION_SUMMARY chamber of DBA/2J mice via paracentesis using a syringe (catalog no. 7635-01 CO:COLLECTION_SUMMARY Hamilton, Reno, Nevada) with a small 33 gauge removable needle (701RN, catalog CO:COLLECTION_SUMMARY no. 7803-05 Hamilton). TM samples were obtained through surgical removal after CO:COLLECTION_SUMMARY euthanization with carbon dioxide and adhering to animal procedures approved by CO:COLLECTION_SUMMARY the IACUC. #TREATMENT TR:TREATMENT_SUMMARY No treatment was performed on the mice. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A total of ~3 μl of AH and ∼0.5-1 mm3 of TM per mice was used for SP:SAMPLEPREP_SUMMARY phospholipid extraction using modified Bligh and Dyer extraction method[13,14]. SP:SAMPLEPREP_SUMMARY Phospholipids extracted in the lower organic phase were dried using a Speed-Vac SP:SAMPLEPREP_SUMMARY (Model 7810014; Labconco, Kansas City, MO), and then flushed with argon gas for SP:SAMPLEPREP_SUMMARY oxidation prevention. Proteins procured from the upper aqueous phase were SP:SAMPLEPREP_SUMMARY quantified using a suitable modification of Bradford’s method. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None CH:INSTRUMENT_NAME TSQ Quantum Access Max CH:COLUMN_NAME None #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Quantiva Access Max MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/ ug of protein MS_METABOLITE_DATA_START Samples DBA2J 3M MTML5 DBA2J 7.5M MTML6 DBA2J 8-8.5M MTM2L8 DBA2J 10M MTML2 DBA2J 12M MTML6 DBA2J 3M MAHL5 DBA2J 7.5M MAHL6 DBA2J 8-8.5M MAH2L5 DBA2J 10M MAHL4 DBA2J 12M MAHL6 DBA2J 3M FTML3 DBA2J 7.5M FTM2L5 DBA2J 8-8.5M FTM3L6 DBA2J 10M FTML2 DBA2J 12M FTML6 DBA2J 3M FAH2L7 DBA2J 7.5M FAH2L6 DBA2J 8-8.5M FAH3L8 DBA2J 10M FAHL3 DBA2J 12M FAHL6 Factors Tissue Location:TM | Sex:Male | Phenotype:Normotensive Tissue Location:TM | Sex:Male | Phenotype:Normotensive Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Tissue Location:TM | Sex:Male | Phenotype:Hypertensive Tissue Location:AH | Sex:Male | Phenotype:Normotensive Tissue Location:AH | Sex:Male | Phenotype:Normotensive Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Tissue Location:AH | Sex:Male | Phenotype:Hypertensive Tissue Location:TM | Sex:Female | Phenotype:Normotensive Tissue Location:TM | Sex:Female | Phenotype:Normotensive Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Tissue Location:TM | Sex:Female | Phenotype:Hypertensive Tissue Location:AH | Sex:Female | Phenotype:Normotensive Tissue Location:AH | Sex:Female | Phenotype:Normotensive Tissue Location:AH | Sex:Female | Phenotype:Hypertensive Tissue Location:AH | Sex:Female | Phenotype:Hypertensive Tissue Location:AH | Sex:Female | Phenotype:Hypertensive PS(14:0/0:0) 5.132732006 94.56205212 33.10611826 23.095493 1.963077086 50.24335915 7.482549698 0.885566589 23.23852873 3.320926817 7.545918523 PS(18:3(6Z,9Z,12Z)/0:0) 7.640431081 3.533754336 PS(18:2(9Z,12Z)/0:0) 57.4548035 0.106690015 43.69404344 4.073507961 1.954551176 85.02898165 6.43526193 23.21452061 0.173479368 PS(22:4(7Z,10Z,13Z,16Z)/0:0) 69.48652608 3.198091963 28.57392302 16.88253416 PS(22:1(11Z)/0:0) 2.855690571 4.625473286 13.28805267 6.928030484 1.848434062 1.833250255 41.83991039 9.356505187 21.30547166 1.031557217 19.47809416 5.500038125 PS(22:0/0:0) 12.46204414 4.252036449 5.397566525 11.83222689 2.244101848 0.248540822 PS(12:0/12:0) 7.892270044 14.50192469 4.203745102 2.627508011 47.17245336 10.10773599 PS(12:0/14:1(9Z)) 77.20428346 12.80877922 5.501921068 31.57370272 152.8957001 52.51664571 18.95983717 0.805361177 6.689982648 0.714835447 2.349871714 25.08101357 0.248987621 PS(18:2(9Z,12Z)/18:2(9Z,12Z)) 17.15393387 11.18940433 0.554483571 10.9375353 32.84039524 2.524990661 0.633485131 21.93137452 2.133077674 0.645554392 2.426791928 5.07141414 PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 56.30085178 4.969733955 9.226036609 8.729924897 46.1851439 PS(18:0/20:4(5Z,8Z,11Z,14Z)) 9.647398727 28.38698734 16.92073921 35.00881133 40.39578907 26.24693562 167.48303 65.65149338 57.05591137 31.86601425 62.6884007 53.15266519 2.496220208 PS(16:0/22:1(11Z)) 19.58293978 11.45874859 3.229113354 284.4612883 145.6280375 98.91489832 9.284979155 51.18529122 8.089556283 0.197280704 PS(17:0/22:4(7Z,10Z,13Z,16Z)) 33.24222284 8.584468915 10.59377609 2.422568217 79.75812134 PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 93.93060291 18.81660019 21.36707055 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 169.7768479 17.03287949 54.40286436 25.77106852 71.72205081 43.71585626 62.19676095 46.80784903 12.28989025 80.49390282 13.99101979 PS(18:1(9Z)/22:2(13Z,16Z)) 69.58565937 11.71873769 26.75050848 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 22.19149631 9.066998779 6.107437964 12.24607404 3.831379944 32.51917233 20.3509241 17.57653679 PS(19:0/22:0) 12.82312752 15.70183498 49.10612804 30.24623875 16.28996521 29.80535188 97.23737518 20.50541432 36.84605586 54.86054149 2.489014055 0.183988867 20.87835339 PS(20:0/22:4(7Z,10Z,13Z,16Z)) 9.868545582 9.490440371 16.04985055 11.56098391 63.39888155 45.12141309 6.364443669 5.671021233 PS(20:0/22:1(11Z)) 75.89143459 1.538007273 2.352348882 66.15575357 39.43813315 PS(12:0/0:0) 5.482912552 77.21033583 7.380548303 1.701002154 178.4261462 28.06969803 43.71589023 64.95083677 14.14531662 49.19939666 22.65721748 49.31579111 PS(6:0/6:0) 7.649389723 0.574769674 76.94406107 41.50567665 37.27460798 21.93379173 3.283823102 37.43996066 11.5464463 PS(14:1(9Z)/0:0) 10.01809995 25.72598134 PS(15:1(9Z)/0:0) 7.680535012 36.01387501 0.198312283 2.982190529 44.12956331 14.78456173 18.16513669 9.843825186 56.87744195 17.41066238 0.17989083 PS(15:0/0:0) 2.567715111 2.065955383 PS(16:0/0:0) 10.1640241 7.131363689 5.269220054 3.973116651 111.6934465 56.40636329 0.869965194 113.2382435 33.48100951 0.063434136 29.72367976 7.686163706 PS(17:2(9Z,12Z)/0:0) 7.934558675 18.36132418 2.718236358 1.432211763 0.943481548 4.996340229 0.260449258 PS(8:0/8:0) 5.618765478 0.630555605 4.040066369 17.89320236 4.364073797 3.404186526 53.69103368 26.71533633 4.831695334 40.44697397 23.97162564 3.462871477 54.44895975 4.050111781 11.15671233 PS(18:4(6Z,9Z,12Z,15Z)/0:0) 7.888078021 11.83232787 13.77215497 1.922814415 9.807289605 PS(18:1(9Z)/0:0) 23.54122516 7.378329761 13.60580981 0.742847159 188.8139867 0.629026605 82.30933081 11.65810622 92.4790879 5.534373229 17.5578019 PS(18:0/0:0) 10.16502436 24.50315905 4.872041985 1.568057335 PS(19:1(9Z)/0:0) 11.0440117 13.32872917 43.83077355 2.466765303 69.94128868 30.18202197 3.215612628 67.7005707 1.002257604 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 2.457356462 0.708592051 0.283701611 1.303382916 37.11357332 1.972957052 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 10.93403304 0.133918575 2.667854299 26.8095827 35.94544634 21.38560283 25.67323896 5.279775505 71.42241646 11.30434011 0.827913237 14.07834159 PS(20:1(11Z)/0:0) 15.87597225 2.06174461 8.615138256 50.29926344 33.26125776 PS(20:0/0:0) 2.429295412 7.057676021 159.9538057 38.15333167 0.998256887 13.75187322 13.76178775 0.655341212 0.043020398 37.98339868 PS(10:0/10:0) 12.02915175 6.708903794 0.827672997 43.93314699 6.107545957 6.989772329 9.495668336 7.600013864 46.2566208 0.135588491 47.89117217 3.867863395 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 8.48681951 2.834948446 31.45939817 PS(12:0/13:0) 13.881222 27.94147409 55.43833867 15.00574231 13.93286223 4.501163343 22.73393718 PS(12:0/15:1(9Z)) 2.171274052 PS(12:0/15:0) 6.091300022 7.908530353 8.284820778 151.9800349 8.134648054 0.309965394 PS(14:1(9Z)/14:1(9Z)) 4.150081612 PS(12:0/16:1(9Z)) 3.43353972 4.208354908 129.4186014 0.607506011 1.524441237 PS(14:0/14:0) 10.63364138 11.49682463 2.044928701 20.55578425 27.23269236 0.051204634 22.64487099 PS(12:0/17:2(9Z,12Z)) 19.48253379 3.52836734 PS(12:0/17:0) 12.29800786 4.680862045 23.96837187 87.65377454 55.03782949 32.69378763 PS(12:0/18:2(9Z,12Z)) 5.714123278 10.48865784 9.540225437 8.425876171 PS(13:0/17:1(9Z)) 5.916880384 35.70401428 PS(17:0/14:1(9Z)) 4.459988909 134.6439973 0.39224588 0.249219696 19.4682314 PS(12:0/19:0) 3.600235115 0.259358885 PS(12:0/20:3(8Z,11Z,14Z)) 4.369610662 PS(12:0/20:2(11Z,14Z)) 23.09488849 3.096558883 PS(16:0/16:0) 50.22153766 10.8012973 49.10950175 1.001525351 5.937002822 23.54032731 PS(13:0/20:4(5Z,8Z,11Z,14Z)) 6.810520601 PS(13:0/20:3(8Z,11Z,14Z)) 1.250412575 67.62169487 6.595642625 9.17068847 PS(13:0/20:2(11Z,14Z)) 15.02223064 PS(13:0/20:1(11Z)) 19.03634021 2.114021132 52.45913177 16.56818123 8.173836607 PS(12:0/21:0) 4.973453562 33.63844482 38.56359013 3.909459312 2.371500718 PS(12:0/22:4(7Z,10Z,13Z,16Z)) 14.6877406 8.271565168 18.89858594 16.54303396 PS(16:0/18:1(11Z)) 7.759794914 29.68952917 0.664692191 23.43767778 3.404145171 2.591948389 PS(13:0/22:4(7Z,10Z,13Z,16Z)) 10.94030826 2.461877502 PS(13:0/22:0) 7.96277916 1.262645593 4.117070982 106.7203734 1.625923633 PS(17:0/20:4(5Z,8Z,11Z,14Z)) 9.588257213 30.6877682 11.55761362 1.856392051 PS(17:0/22:2(13Z,16Z)) 15.91880323 8.72179644 18.13824371 PS(18:0/22:2(13Z,16Z)) 10.08383446 41.85811084 1.079115679 1.76438795 0.082590289 PS(18:0/22:1(11Z)) 3.216782889 18.56960626 3.004858964 3.552297442 23.64619747 6.630449837 11.69601412 3.205210055 22.43931829 6.254426101 PS(19:0/21:0) 5.130954552 9.639195033 8.425469029 28.12878609 4.321878068 2.022059688 PS(19:0/22:2(13Z,16Z)) 21.63250356 26.59513589 20.72266912 PS(20:0/22:2(13Z,16Z)) 9.747514201 8.034548664 28.44482168 0.505157209 PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.694385566 16.43645611 0.474423466 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 17.54593933 15.74056278 145.9724506 0.731147488 1.308561567 72.92236855 43.45507578 46.54461278 2.671279583 PS(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 15.31774861 5.516316374 89.85733019 1.718696324 24.38559101 8.585212713 PS(21:0/22:1(11Z)) 0.688726718 PS(21:0/22:0) 12.53947339 10.53387165 24.60634272 3.449167553 12.88406757 8.621704185 2.942083848 5.838376916 1.543715054 PS(22:0/22:4(7Z,10Z,13Z,16Z)) 15.53038492 32.80375447 54.53713049 4.9090472 33.53044271 0.266929764 PS(22:0/22:1(11Z)) 23.40384379 23.2107467 89.20178316 28.54574088 11.37697992 PS(12:0/22:2(13Z,16Z)) 1.040466917 21.97248845 PS(13:0/22:2(13Z,16Z)) 4.860373879 PS(15:0/22:1(11Z)) 4.634645772 5.736353214 1.691300631 44.82154428 8.700074611 0.126292971 PS(17:0/22:1(11Z)) 9.292814276 28.68836203 14.36697679 29.40422431 17.82710649 PS(19:0/22:1(11Z)) 15.18377143 6.554147913 22.55163874 17.97338921 0.257102468 14.21113426 PS(12:0/18:3(6Z,9Z,12Z)) 2.004521913 2.394976409 16.09966888 PS(13:0/22:1(11Z)) 13.08919789 0.844151841 6.677425951 34.70596 1.833085632 PS(16:1(9Z)/0:0) 16.07376364 8.681411363 0.831637981 PS(17:0/21:0) 53.9603971 1.301757281 PS(18:0/12:0) 251.6467876 4.752150047 PS(22:0/22:0) 4.965832159 10.83601202 1.646751759 PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 55.45110642 20.96590151 PS(12:0/18:4(6Z,9Z,12Z,15Z)) 24.32822979 1.062798606 0.168858144 PS(12:0/20:4(5Z,8Z,11Z,14Z)) 3.23373943 PS(12:0/20:1(11Z)) 28.36468972 1.587545402 PS(16:0/20:0) 1.34349854 PS(13:0/18:3(6Z,9Z,12Z)) 3.245710055 PS(18:0/18:1(9Z)) 26.56536688 PS(13:0/18:4(6Z,9Z,12Z,15Z)) 10.30117708 PS(13:0/18:2(9Z,12Z)) 0.161157888 PS(22:0/22:2(13Z,16Z)) 2.499264274 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID PS(12:0/13:0) 637.3955 PS(17:0/20:4(5Z,8Z,11Z,14Z)) 797.5207 PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 877.5833 PS(17:0/14:1(9Z)) 719.4737 PS(16:0/18:1(11Z)) 761.5207 PS(6:0/6:0) 455.192 PS(8:0/8:0) 511.2546 PS(10:0/10:0) 567.3172 PS(18:2(9Z,12Z)/18:2(9Z,12Z)) 783.505 PS(18:0/18:1(9Z)) 789.552 PS(12:0/12:0) 623.3798 PS(14:0/14:0) 679.4424 PS(16:0/16:0) 735.505 PS(16:0/20:0) 791.5676 PS(18:0/20:4(5Z,8Z,11Z,14Z)) 811.5363 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 835.5363 PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 807.505 PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 805.4894 PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 833.5207 PS(12:0/14:1(9Z)) 649.3955 PS(12:0/15:0) 665.4268 PS(12:0/15:1(9Z)) 663.4111 PS(12:0/16:1(9Z)) 677.4268 PS(12:0/17:0) 693.4581 PS(12:0/17:2(9Z,12Z)) 689.4268 PS(12:0/18:2(9Z,12Z)) 703.4424 PS(12:0/18:3(6Z,9Z,12Z)) 701.4268 PS(12:0/18:4(6Z,9Z,12Z,15Z)) 699.4111 PS(12:0/19:0) 721.4894 PS(12:0/20:1(11Z)) 733.4894 PS(12:0/20:2(11Z,14Z)) 731.4737 PS(12:0/20:3(8Z,11Z,14Z)) 729.4581 PS(12:0/20:4(5Z,8Z,11Z,14Z)) 727.4424 PS(12:0/21:0) 749.5207 PS(12:0/22:2(13Z,16Z)) 759.505 PS(12:0/22:4(7Z,10Z,13Z,16Z)) 755.4737 PS(13:0/17:1(9Z)) 705.4581 PS(13:0/18:2(9Z,12Z)) 717.4581 PS(13:0/18:3(6Z,9Z,12Z)) 715.4424 PS(13:0/18:4(6Z,9Z,12Z,15Z)) 713.4268 PS(13:0/20:1(11Z)) 747.505 PS(13:0/20:2(11Z,14Z)) 745.4894 PS(13:0/20:3(8Z,11Z,14Z)) 743.4737 PS(13:0/20:4(5Z,8Z,11Z,14Z)) 741.4581 PS(13:0/22:0) 777.552 PS(13:0/22:1(11Z)) 775.5363 PS(13:0/22:2(13Z,16Z)) 773.5207 PS(13:0/22:4(7Z,10Z,13Z,16Z)) 769.4894 PS(15:0/22:1(11Z)) 803.5676 PS(16:0/22:1(11Z)) 817.5833 PS(17:0/21:0) 819.5989 PS(17:0/22:1(11Z)) 831.5989 PS(17:0/22:2(13Z,16Z)) 829.5833 PS(17:0/22:4(7Z,10Z,13Z,16Z)) 825.552 PS(18:0/22:1(11Z)) 845.6146 PS(18:0/22:2(13Z,16Z)) 843.5989 PS(18:1(9Z)/22:2(13Z,16Z)) 841.5833 PS(19:0/21:0) 847.6302 PS(19:0/22:0) 861.6459 PS(19:0/22:1(11Z)) 859.6302 PS(19:0/22:2(13Z,16Z)) 857.6146 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 853.5833 PS(20:0/22:1(11Z)) 873.6459 PS(20:0/22:2(13Z,16Z)) 871.6302 PS(20:0/22:4(7Z,10Z,13Z,16Z)) 867.5989 PS(21:0/22:0) 889.6772 PS(21:0/22:1(11Z)) 887.6615 PS(22:0/22:1(11Z)) 901.6772 PS(22:0/22:2(13Z,16Z)) 899.6615 PS(22:0/22:4(7Z,10Z,13Z,16Z)) 895.6302 PS(18:0/12:0) 707.4737 PS(14:1(9Z)/14:1(9Z)) 675.4111 PS(22:0/22:0) 903.6928 PS(18:1(9Z)/0:0) 523.291 PS(16:0/0:0) 497.2754 PS(18:0/0:0) 525.3067 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 545.2754 PS(12:0/0:0) 441.2128 PS(14:0/0:0) 469.2441 PS(16:1(9Z)/0:0) 495.2597 PS(18:2(9Z,12Z)/0:0) 521.2754 PS(20:0/0:0) 553.338 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 569.2754 PS(22:4(7Z,10Z,13Z,16Z)/0:0) 573.3067 PS(15:1(9Z)/0:0) 481.2441 PS(17:2(9Z,12Z)/0:0) 507.2597 PS(18:3(6Z,9Z,12Z)/0:0) 519.2597 PS(18:4(6Z,9Z,12Z,15Z)/0:0) 517.2441 PS(19:1(9Z)/0:0) 537.3067 PS(20:1(11Z)/0:0) 551.3223 PS(22:1(11Z)/0:0) 579.3536 PS(22:0/0:0) 581.3693 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 543.2597 PS(15:0/0:0) 483.2597 PS(14:1(9Z)/0:0) 467.2284 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 882.5263 PS(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 882.5263 METABOLITES_END #END