#METABOLOMICS WORKBENCH araskind_20170619_111716 DATATRACK_ID:994 STUDY_ID:ST000775 ANALYSIS_ID:AN001224 PROJECT_ID:PR000561 VERSION 1 CREATED_ON July 5, 2017, 1:36 pm #PROJECT PR:PROJECT_TITLE Michigan Biomarkers for Refractory Depression (Bluebird) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Discovery of clinical useful biomarkers for treatment-resistant depression PR:INSTITUTE University of Michigan PR:DEPARTMENT Psychiatry PR:LABORATORY Mickey Lab PR:LAST_NAME Mickey PR:FIRST_NAME Brian PR:ADDRESS Ann Arbor, MI PR:EMAIL bmickey@umich.edu PR:PHONE 734-647-8239 #STUDY ST:STUDY_TITLE Michigan Biomarkers for Refractory Depression (Bluebird) metabolomics pilot ST:STUDY_TITLE study ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY The goal of the project is discovery of clinical useful biomarkers for ST:STUDY_SUMMARY treatment-resistant depression. All participants were undergoing ST:STUDY_SUMMARY electroconvulsive therapy (ECT) for treatment-resistant depression (major ST:STUDY_SUMMARY depressive disorder or bipolar disorder) in 2012-2014. All subjects were ST:STUDY_SUMMARY Caucasian except BB060, who was Asian. Samples were collected from each subject ST:STUDY_SUMMARY at baseline just before the first ECT treatment (Time Point T0) and ST:STUDY_SUMMARY approximately 3 weeks later just before the tenth ECT treatment (Time Point T2). ST:STUDY_SUMMARY Whole blood was drawn in the morning in a fasted state (at least 7 hours) ST:STUDY_SUMMARY through an intravenous catheter or butterfly needle into 6-mL EDTA tubes ST:STUDY_SUMMARY (Lavender Top, Becton Dickinson Vacutainer K2EDTA additive blood collection ST:STUDY_SUMMARY tube, part #367863) and transported to the processing lab at the Michigan ST:STUDY_SUMMARY Clinical Research Unit within 30 minutes. Plasma was isolated by centrifugation ST:STUDY_SUMMARY for 10 minutes at 2000G at 4C. Plasma from multiple tubes was pooled and ST:STUDY_SUMMARY aliquotted in 200 uL volumes into 2-mL screw-cap cryovials and frozen at -80C. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 29 ST:TOTAL_SUBJECTS 17 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0011919 S00017715 Pair:Pair 1 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011919 S00017716 Pair:Pair 1 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011920 S00017717 Pair:Pair 1 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011920 S00017718 Pair:Pair 1 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011921 S00017719 Pair:Pair 2 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011921 S00017720 Pair:Pair 2 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011922 S00017721 Pair:Pair 2 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011922 S00017722 Pair:Pair 2 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011923 S00017723 Pair:Pair 3 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011923 S00017724 Pair:Pair 3 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011924 S00017725 Pair:Pair 3 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011924 S00017726 Pair:Pair 3 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011925 S00017727 Pair:Pair 4 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011925 S00017728 Pair:Pair 4 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011926 S00017729 Pair:Pair 4 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011926 S00017730 Pair:Pair 4 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011927 S00017731 Pair:Pair 5 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011927 S00017732 Pair:Pair 5 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011928 S00017733 Pair:Pair 5 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011928 S00017734 Pair:Pair 5 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011929 S00017735 Pair:Pair 6 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011929 S00017736 Pair:Pair 6 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011930 S00017737 Pair:Pair 6 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011930 S00017738 Pair:Pair 6 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011931 S00017739 Pair:Pair 7 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011931 S00017740 Pair:Pair 7 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011932 S00017741 Pair:Pair 7 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011932 S00017742 Pair:Pair 7 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011933 S00017743 Pair:Pair 8 | Timepoint:T0 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011933 S00017744 Pair:Pair 8 | Timepoint:T2 | Treatment response:No SUBJECT_SAMPLE_FACTORS SU0011934 S00017745 Pair:Pair 8 | Timepoint:T0 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU0011934 S00017746 Pair:Pair 8 | Timepoint:T2 | Treatment response:Yes SUBJECT_SAMPLE_FACTORS SU9999996 S00020147 Pair:Pooled | Timepoint:Pooled | Treatment response:Pooled #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003 - Untargeted Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00017715 S00017716 S00017717 S00017718 S00017719 S00017720 S00017721 S00017722 S00017723 S00017724 S00017725 S00017726 S00017727 S00017728 S00017729 S00017730 S00017731 S00017732 S00017733 S00017734 S00017735 S00017736 S00017737 S00017738 S00017739 S00017740 S00017741 S00017742 S00017743 S00017744 S00017745 S00017746 Factors Pair:Pair 1 | Timepoint:T0 | Treatment response:No Pair:Pair 1 | Timepoint:T2 | Treatment response:No Pair:Pair 1 | Timepoint:T0 | Treatment response:Yes Pair:Pair 1 | Timepoint:T2 | Treatment response:Yes Pair:Pair 2 | Timepoint:T0 | Treatment response:No Pair:Pair 2 | Timepoint:T2 | Treatment response:No Pair:Pair 2 | Timepoint:T0 | Treatment response:Yes Pair:Pair 2 | Timepoint:T2 | Treatment response:Yes Pair:Pair 3 | Timepoint:T0 | Treatment response:No Pair:Pair 3 | Timepoint:T2 | Treatment response:No Pair:Pair 3 | Timepoint:T0 | Treatment response:Yes Pair:Pair 3 | Timepoint:T2 | Treatment response:Yes Pair:Pair 4 | Timepoint:T0 | Treatment response:No Pair:Pair 4 | Timepoint:T2 | Treatment response:No Pair:Pair 4 | Timepoint:T0 | Treatment response:Yes Pair:Pair 4 | Timepoint:T2 | Treatment response:Yes Pair:Pair 5 | Timepoint:T0 | Treatment response:No Pair:Pair 5 | Timepoint:T2 | Treatment response:No Pair:Pair 5 | Timepoint:T0 | Treatment response:Yes Pair:Pair 5 | Timepoint:T2 | Treatment response:Yes Pair:Pair 6 | Timepoint:T0 | Treatment response:No Pair:Pair 6 | Timepoint:T2 | Treatment response:No Pair:Pair 6 | Timepoint:T0 | Treatment response:Yes Pair:Pair 6 | Timepoint:T2 | Treatment response:Yes Pair:Pair 7 | Timepoint:T0 | Treatment response:No Pair:Pair 7 | Timepoint:T2 | Treatment response:No Pair:Pair 7 | Timepoint:T0 | Treatment response:Yes Pair:Pair 7 | Timepoint:T2 | Treatment response:Yes Pair:Pair 8 | Timepoint:T0 | Treatment response:No Pair:Pair 8 | Timepoint:T2 | Treatment response:No Pair:Pair 8 | Timepoint:T0 | Treatment response:Yes Pair:Pair 8 | Timepoint:T2 | Treatment response:Yes CL 66:1; [M-2H](2-)@6.32 .414441901 .400258502 .385642298 .113740148 .024654129 .072362526 .01566654 .126507191 .033008571 .1740283 .715319215 .208790316 .044954383 .061562575 .095256335 .080945325 .695142337 .822683185 .178948634 .034268749 .01288973 .048334087 .549636471 .468244576 .307968315 .070759595 .029982685 .542312189 .004835345 .035959262 .280078055 .062545128 CL 68:1; [M-2H](2-)@7.36 .013190126 .0118323 .013565799 .007397106 .005978235 .007625887 .012017668 .004697731 .008269531 .009267674 .012793046 .010350675 .008487124 .013184483 .01159428 .017661488 .011645975 .010956894 .009934863 .007925347 .008582867 .005470037 .019970909 .012173068 .01596853 .006919814 .012633125 .018105891 .013648099 .005661984 .017109834 .014783625 CL 70:1; [M-2H](2-)@6.53 .120130954 .251488861 .140167316 .081997065 .03906293 .027474043 .074527737 .091189271 .078579455 .074535325 .255551238 .114075867 .039708368 .048041176 .1799464 .154731259 .329548839 .367191116 .044807313 .025146978 .027569776 .041494061 .211155454 .17710027 .147073984 .098255319 .147513216 .337943076 .063719554 .037966964 .226824634 .071967682 CL 70:5; [M-2H](2-)@6.06 .020720186 .043810169 .057429082 .021784123 .005579186 .004625349 .018025713 .007184533 .007343553 .015275808 .090245131 .02231969 .015623694 .008091171 .025378092 .015997024 .06754289 .069603424 .022620171 .009546159 .002342015 .00734588 .064927382 .04019849 .027735731 .008270793 .017269399 .118528171 .01876399 .020292854 .028679891 .016685423 CL 72:1; [M-2H](2-)@7.76 .012427447 .010261646 .014215649 .022274552 .002827065 .006322628 .00956496 .006055207 .007656589 .003037921 .010817853 .007105715 .009815879 .003630058 .009969324 .015803202 .012081846 .006902105 .008173606 .001790363 .008186625 .005265643 .017386439 .004242509 .014847765 .007953256 .012442821 .012512204 .010643686 .005494609 .017592388 .013633833 CL 72:3; [M-2H](2-)@6.83 .010336593 .008725041 .02812558 .009901822 .003248887 .000940392 .012675765 .010107298 .00241137 .015979669 .021978358 .007292673 .009478682 .007791646 .013769059 .010301791 .031524249 .018391851 .012746328 .008897349 .00261973 .003896128 .015083791 .017540303 .01771604 .007906309 .018776684 .033424046 .010679704 .007522992 .028823475 .009271513 CL 72:7; [M-2H](2-)@6.14 .021375209 .051669779 .030064605 .060856004 .019256433 .029787432 .033198646 .110857545 .014630849 .066497534 .097372477 .067030474 .099002689 .051463539 .027974061 .048510863 .061218105 .088636733 .080850993 .047733008 .029897642 .058577956 .044625879 .050896706 .075036338 .080544922 .003145694 .105385704 .068415042 .097762198 .053383642 .032054915 CL 74:1; [M-2H](2-)@6.80 1.033245983 .916864076 1.196612227 .580126112 1.755665473 .574114006 1.123769054 .586248939 .864106686 .565289766 1.011528494 .73827464 .8040972 .705874536 1.282367855 1.015774479 .78770193 1.115851762 1.072742246 1.046616708 .942004068 1.452896395 .717472844 .951704992 .598191773 .527605699 .680892581 .788873148 .932637802 .743664934 .295426982 .522319907 CL 74:3; [M-2H](2-)@5.64 .002101686 .003934616 .002023 .001737973 .000886724 .00063727 .001715396 .001681363 .001773477 .002621274 .008250983 .001921193 .000778308 .001107589 .001250457 .001799763 .002229235 .002599025 .002821113 .00356686 .00244773 .003768669 .00191549 .002293117 .002408045 .000513485 .00395219 .005229865 .003099956 .001359245 .000799574 .003604881 CL 74:3; [M-2H](2-)@6.36 .041570478 .056873712 .039551211 .018820155 .02704544 .00792818 .045789138 .026116806 .03915512 .037650271 .065783799 .032434421 .023524393 .01929022 .03329002 .029748839 .044088346 .063456971 .031411591 .030376785 .015459682 .028738118 .051812016 .037901275 .041970578 .031556215 .04120139 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.01181847 .019263962 .002608612 .021155099 .008540144 .010436421 .005391811 .007736268 .005604294 .010464737 .003028469 .025542174 .015607925 .011737124 .004101736 .013780149 .006620378 CL 76:3; [M-2H](2-)@7.14 .131443154 .058115541 .104304385 .048209142 .024065951 .045977105 .097263078 .096512432 .01666243 .0666107 .072727803 .12459687 .041640464 .021447227 .051595522 .050237692 .118094971 .013455981 .083356228 .045076446 .037831759 .046321483 .126774247 .054098045 .062905153 .046541939 .154476003 .189938273 .062733064 .048702845 .173160445 .034240819 CL 76:6; [M-2H](2-)@6.67 .005241873 .005238831 .004783184 .00440738 .003209561 .003318766 .00571108 .005450239 .00296612 .005577092 .008774183 .005433493 .002364266 .002271546 .007131758 .013082621 .008320251 .013512886 .001940526 .005108641 .002081935 .001148551 .004113641 .004419394 .007544631 .011559232 .010476609 .013773755 .00404405 .004573944 .007910612 .004119844 CL 76:7; [M-2H](2-)@6.79 .064900028 .03790426 .043591339 .035412559 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.070595209 .061914594 .033582989 .029058425 .037016534 .032487555 .039693969 .037092698 .038094793 .048236306 .03811278 .089941339 .031582678 .027627982 .049438352 .036546339 CL 78:5; [M-2H](2-)@7.31 .235436947 .147529042 .190111857 .14111011 .114908509 .075050506 .10583947 .091582572 .152341216 .139188613 .188273961 .129535421 .128315952 .113905361 .239867462 .191384105 .287226045 .311110202 .111264897 .131910772 .121521996 .098707526 .173677795 .183721444 .202786834 .17738329 .214598447 .317997355 .11853886 .117164724 .191264256 .119656657 CL 78:7; [M-2H](2-)@6.71 1.176448925 .835461696 .704427338 .864326477 .529106312 .370248251 .686137049 1.018300007 .769249737 .635947933 1.662904906 .597669129 .797240816 .604138016 1.457599157 1.154259964 1.362380934 1.364835429 .644226094 .483569303 .70273517 .569965302 .743526516 .889702669 .915681396 .726580933 1.338092184 1.724705174 .64472985 .493859925 .940831298 .546783222 CL 82:15; [M-2H](2-)@6.04 .000618925 .002892991 .001346247 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.006876739 .013215395 .014615769 .001456668 .012778584 .010047161 .006923438 CerP 21:0; [M-H]-@2.12 .017491365 .020315857 .01857499 .008245382 .019354199 .008418253 .008726161 .019342159 .011222503 .015721652 .026895225 .009361071 .012424188 .008556209 .025959798 .022936564 .013076484 .025443182 .014191646 .011805679 .021952449 .014876574 .015066748 .029700047 .014541918 .020606452 .015381939 .047931457 .01075016 .011788612 .030393803 .012935209 PA 34:0; [M-H]-@7.68 .036795032 .048561231 .042085902 .045786575 .023272707 .075041643 .032475307 .048602937 .047634397 .053354222 .04702692 .044181038 .054468058 .045246834 .07859184 .062405684 .071430703 .03603896 .071640997 .03192945 .05754319 .01700843 .104559742 .03146742 .026058159 .052358627 .068514088 .092103104 .043524908 .075452121 .051220984 .053269428 PA 36:1; [M-H]-@6.81 .006422661 .003581744 .00545039 .00142358 .006552054 .001202526 .003415339 .006898187 .00108305 .004427218 .01144622 .004728553 .000414188 .006998052 .003938692 .001410976 .00589306 .004656934 .005725222 .001862588 .003474261 .003772764 .004108952 .01252019 .00105459 .007789818 .007633658 .017987664 .004110398 .001327853 .001133408 .007429601 PA 38:3; [M-H]-@7.02 .461732336 .345821349 .513292809 .303461124 .463191127 .165105722 .746826288 .631933391 .332511112 .317881682 .913437823 .495695832 .297462367 .443535987 .28517552 .441997714 .759840473 .461546052 .794156299 .598553915 .346354018 .538600555 .597044179 .905017659 .485883799 .534392746 .696595355 .767541449 .286853088 .379683547 .442647495 .317849721 PA 40:4; [M-H]-@6.87 .016855072 .016615128 .017161937 .03207121 .014038991 .006338048 .026483543 .044307925 .055850372 .035636998 .10821806 .024253044 .018361084 .090979893 .025246228 .129643477 .104948162 .078457309 .08257956 .024446255 .057053338 .014783816 .02676115 .103355709 .015435487 .061762611 .09931996 .119366997 .009901551 .096178079 .10986921 .0279899 PA 41:4; [M-H]-@6.57 .210921487 .247415212 .173373665 .096319467 .05955446 .083109244 .095843133 .049020545 .092632576 .101355439 .211833503 .0911574 .089318495 .062049222 .100491991 .158982359 .19852585 .275762769 .105671378 .102742456 .10618339 .07759603 .123162017 .181113238 .273135545 .148586107 .177228173 .301046153 .11547746 .090803763 .22195262 .13027038 PC 19:2; [M-Ac-H]-@1.43 .066351948 .025312057 .047992351 .041711641 .028722582 .062905733 .13216018 .071497329 .151213625 .094277104 .149316952 .075698476 .070288689 .040590219 .065417395 .039510415 .033615543 .091621901 .065966914 .065276601 .123234382 .107921085 .098993289 .130164604 .12789304 .043409464 .017681329 .153864634 .046157781 .076725584 .120712654 .087757146 PC 26:0; [M-Ac-H]-@4.59 .000969143 .002389338 .002142418 .000325335 .00439924 .000104177 .000886765 .001536953 .000185856 .000761805 .004773558 .000852867 .000116277 .00044713 .005273472 .000275068 .001875768 .000242016 .001326629 .000574563 .002728229 .000488868 .02578574 .00791586 .000645992 .001513925 .000965075 .00906284 .001447768 .003457356 .002740404 .000236013 PC 28:0; [M-Ac-H]-@5.36 .333137314 .506336907 .461738556 .078280269 .51791664 .116034753 .300905549 .215671064 .119616398 .285092394 .911793349 .107881362 .02296769 .07547352 .409643306 .038956029 .475284159 .392971005 .062410193 .105401765 .081260645 .243994657 1.82981979 1.270938306 .222694812 .720346705 .089438084 .580730022 .246789467 .293792912 .366307165 .289969898 PC 28:1; [M-Ac-H]-@4.81 .029201354 .050980828 .040316825 .001732652 .051625499 .008526878 .01824976 .031083829 .029393301 .02090774 .077786366 .026667772 .030567614 .007780196 .034392295 .008406567 .098224708 .067334746 .023392502 .007819537 .011542611 .022879525 .462259793 .23092933 .020774707 .114611422 .019757222 .055958662 .01570101 .008205391 .040673021 .005050738 PC 30:0; [M-Ac-H]-@6.06 .084102801 .099750141 .090870299 .031666745 .05993223 .04235033 .037398466 .102395223 .056317909 .041380053 .145140507 .055865515 .045338184 .03036995 .109487742 .048146039 .108359418 .20323508 .047503595 .036174965 .040691159 .035919817 .223471798 .165364448 .121020474 .083910577 .073896837 .157820289 .048422964 .040720409 .096394083 .059853656 PC 30:1; [M-Ac-H]-@5.52 .945691448 1.041130879 1.76514737 .395836244 .685476248 .340101855 .364802337 .312325491 .362305804 .344751725 1.962084529 .355176752 .108430904 .126347922 .404890031 .332877169 1.06807136 1.301637665 .208746075 .145871723 .156432572 .386159456 2.881562955 3.27520625 .73692664 .830731726 .310595207 1.657867863 .115954334 .18536382 .460521298 .216072266 PC 30:2; [M-Ac-H]-@5.00 .035481872 .021515523 .064842486 .012067898 .115706121 .038100637 .050015777 .02569949 .023505433 .021836406 .057812991 .017113851 .030133393 .013080468 .042008552 .038638898 .059843141 .037235214 .027544409 .033588654 .021603968 .057433591 .073480973 .161543364 .014189761 .010896785 .035519609 .084812555 .021594823 .037789154 .022908124 .025907331 PC 31:0; [M-Ac-H]-@6.32 .014905506 .019015802 .016062121 .008610105 .00957471 .008652262 .006709833 .007358439 .006924764 .008833276 .014402288 .00946789 .009753422 .010530943 .009084295 .010507317 .011940994 .013098095 .005655766 .008541509 .015968263 .009614545 .010129848 .007976057 .011276071 .01373647 .006331587 .025446453 .007181665 .007188354 .005047817 .006667642 PC 31:1; [M-Ac-H]-@5.86 .005840137 .010141956 .004172351 .002302069 .003239661 .002440167 .00098291 .001932218 .002261657 .003180842 .007157647 .006702026 .00302341 .002912532 .00483697 .004275893 .006017696 .007839323 .001979251 .004115969 .003248389 .000897253 .008674723 .012113402 .003492451 .006384273 .001902836 .008594557 .002688819 .003593606 .003237396 .004341952 PC 31:1; [M-Ac-H]-@6.55 .148962594 .110075176 .160527705 .16498461 .135150731 .205605618 .150515428 .134468379 .075516525 .13894553 .218997946 .117384761 .317929289 .215393262 .15620824 .112885644 .178726996 .159117801 .390352107 .128383211 .207654586 .173141563 .116424793 .159596652 .244769777 .196567509 .174925727 .124857286 .128185242 .16676799 .213541536 .14044481 PC 32:0; [M-Ac-H]-@6.69 .576446695 .694743017 .635216997 .408647716 .436071811 .365725829 .505976986 .277464959 .371968509 .432722841 .86128615 .505771426 .406035745 .400440376 .730933769 .660540164 .717963247 .641943033 .49719641 .412417995 .664809357 .47213049 .704489406 .87389039 .777466313 .61637829 .581212919 .720586645 .351789268 .464969921 .468160398 .300030782 PC 32:1; [M-Ac-H]-@6.18 .26907474 .265471921 .289628819 .104120736 .134100457 .125722305 .056406027 .090475514 .11203396 .200777883 .593090006 .245101195 .071917013 .097306751 .356581602 .256386866 .547802861 .641751553 .096714678 .066396829 .063293601 .07884298 .705963169 .852005178 .374090741 .284723191 .132546302 .673300199 .136805339 .084257709 .202352868 .081334717 PC 32:2; [M-Ac-H]-@5.70 .25378696 .222620158 .116796712 .087553518 .166460423 .155049429 .158755063 .151189072 .185548699 .201364668 .365533954 .140594464 .117762277 .134057989 .370523485 .273725982 .346821298 .310076075 .253868068 .119830719 .100027421 .089702419 .283831887 .363065514 .25559932 .216423924 .205369251 .355072871 .167798828 .156623591 .198499812 .165279922 PC 32:3; [M-Ac-H]-@5.26 .009193408 .041851523 .026658019 .017362693 .044273785 .00934238 .014530746 .018346755 .007032189 .016859083 .051456166 .01787418 .016543049 .006981898 .02882442 .016104022 .034097229 .059462394 .030091512 .013687694 .008353296 .021035332 .065282443 .031023459 .027844634 .033084074 .030927041 .052388375 .006437023 .025646317 .020409309 .00792192 PC 33:0; [M-Ac-H]-@7.07 .020681706 .014823287 .028698497 .017838189 .019837856 .012924623 .035808824 .01507114 .023350307 .018601003 .031159674 .022218867 .017550534 .028132021 .029694567 .020284149 .028862671 .020687406 .015992004 .020855749 .02062838 .014540732 .048960823 .021009376 .034093263 .047081418 .023895002 .049943037 .025096819 .021136764 .02619434 .01129605 PC 33:1; [M-Ac-H]-@6.64 .14367482 .100839182 .143658282 .089363107 .121067836 .122561308 .110979251 .100412647 .098870034 .09089937 .24179739 .122018331 .088131692 .108534656 .196286906 .128548247 .232859941 .200139862 .138271717 .081505837 .107191176 .085854277 .44235429 .231703251 .222648006 .160125535 .170769166 .216139957 .135436729 .118467174 .309566915 .093398425 PC 33:2; [M-Ac-H]-@6.07 .105279823 .109653944 .074884499 .062761138 .072657642 .050928871 .097162746 .124846767 .079779505 .053454623 .119645061 .056530246 .076239265 .048744048 .094580013 .076139165 .120154613 .071280347 .103040261 .061302644 .157698896 .099092389 .102914617 .105156403 .06748749 .057777098 .109368076 .134499705 .101654918 .049666679 .073648523 .110973647 PC 33:3; [M-Ac-H]-@5.84 .030909105 .040648869 .060572997 .035455173 .017053371 .031557163 .03049595 .016345362 .034824202 .024330158 .07810586 .023496159 .032081398 .044977645 .040006968 .062589277 .070142394 .05612385 .047972211 .036059662 .014358323 .047789372 .034683823 .061311819 .047978299 .01939022 .057546951 .054827308 .028550292 .024725786 .040226648 .022008443 PC 34:1; [M-Ac-H]-@6.75 2.522288558 2.018958641 2.604487576 1.369779986 1.771980307 1.598111707 1.927151598 1.851098388 1.984386307 1.899631374 3.830598793 2.154767723 1.301735184 1.496056124 3.056923749 3.002081345 3.553813568 4.141178526 1.652779887 1.711359811 1.891315913 1.724047111 4.612154482 5.054522019 3.421942662 3.035072429 3.080526282 5.633590511 2.613423995 1.540442281 3.06160152 1.798720037 PC 34:2; [M-Ac-H]-@4.49 .0516755 .070487173 .119346086 .023183563 .037632221 .06943401 .076423032 .037608413 .067281571 .100864019 .123269781 .044812815 .197154367 .045901942 .040483761 .045447184 .100928127 .202625316 .081403556 .048408847 .070109151 .117792838 .070840682 .118043363 .038256615 .093206961 .092312445 .063486667 .076251375 .140585596 .039917384 .042210682 PC 34:2; [M-Ac-H]-@6.31 5.308080132 3.731019368 3.791014083 3.481520001 3.260304729 2.357930399 4.989062164 3.351828034 4.13191573 4.082302501 6.608568179 3.434335809 3.190566464 2.82190034 5.460861712 5.359744395 6.73228143 5.191620723 5.476614884 4.207675378 4.022916978 3.572839778 5.955882827 6.489819332 4.241793021 4.380267305 5.721837837 7.38536561 4.798728472 3.187176689 4.592025937 3.204977813 PC 34:3; [M-Ac-H]-@5.88 .394393055 .330949941 .359576095 .315001455 .222772321 .224452659 .259948277 .208743773 .340061408 .36183662 .619408893 .34290077 .266395937 .288758893 .530555719 .451658967 .6179942 .539190294 .425244477 .250281259 .261586483 .25899655 .613718539 .565321342 .403857963 .421657006 .375561788 .958076112 .350460471 .179919103 .368825604 .237290144 PC 34:4; [M-Ac-H]-@5.63 2.011108558 1.783421006 1.539137421 .838209575 1.248635135 .913261765 1.179290626 1.042759851 1.258838985 1.399568428 2.52616699 1.129748157 .999823322 .951656605 1.442113165 1.206701125 2.27151165 1.83481123 1.734180092 .866152185 .814877961 1.106120634 3.230198107 3.291027132 1.400991558 2.638942062 .983606226 2.581721863 .52744137 .768942406 1.527698396 1.565428114 PC 34:5; [M-Ac-H]-@5.24 .033126319 .041991626 .121635384 .041002618 .16915368 .071406702 .080991436 .045781722 .032135788 .044862599 .169283845 .061257775 .058575879 .100497533 .121558554 .057258595 .080449985 .069216775 .072245803 .050832485 .03923345 .120527308 .134899248 .197852789 .087629051 .053562951 .042711203 .112702608 .080723755 .069076139 .060328388 .066628188 PC 35:0; [M-Ac-H]-@7.12 .051206008 .031493705 .084162047 .000294119 .041138725 .061536817 .016931193 .024555301 .004316555 .008944298 .045509188 .037790278 .044062318 .041416985 .006141701 .053856536 .021797042 .025388386 .071725696 .027834916 .033757641 .050890041 .052520986 .031157081 .017062019 .06122906 .032841634 .137812043 .025332996 .018093625 .04428132 .026578863 PC 35:1; [M-Ac-H]-@7.17 .437923624 .382117431 .617801611 .444801289 1.243062652 .522312163 1.043123013 .803429218 .504199823 .435739681 .635775195 .545926531 .577890203 .750059893 1.209724992 1.371680989 .496958068 .730020347 .678261525 .870613268 .743240951 1.388468023 .545598169 .9191938 .524542176 .552890139 .684496418 1.026982406 1.052507522 .750073122 .564424261 .491728822 PC 35:2; [M-Ac-H]-@6.69 .127755556 .082529937 .101302994 .136130579 .129334348 .087322281 .171149813 .126744815 .122587622 .157633568 .15128597 .082159583 .206016489 .101301665 .181285742 .169074037 .130588878 .074432009 .232893668 .143630546 .125555061 .099300756 .122622325 .137690756 .105328882 .145359998 .252982542 .246937122 .166283042 .117497876 .182403045 .132975619 PC 35:3; [M-Ac-H]-@6.24 .871260756 .744084811 1.05619096 .692354246 .480520334 .55591325 1.394084409 .391433937 1.250104743 1.258209257 1.441704677 .931430676 .485820731 .545828126 .926714394 .533135537 1.254453055 .883542243 1.245813897 .523301662 .68300651 .639903204 .533694054 1.185734356 1.128603138 2.18011386 .643027399 1.742010837 .546389567 .78309915 .394810853 1.095199327 PC 35:4; [M-Ac-H]-@6.05 .025631622 .038677989 .016818766 .025339931 .041158278 .029566856 .029025185 .010734631 .034152868 .040818797 .044062637 .036145864 .040766352 .026735671 .036630851 .040707108 .025028895 .03697029 .022041187 .03269052 .022320849 .01424366 .043773876 .031923043 .032169462 .067174134 .043207165 .065803194 .017622493 .025055585 .017051817 .018025358 PC 35:5; [M-Ac-H]-@5.60 .011521887 .010557019 .01139812 .010160921 .014333002 .007688573 .006416528 .008025585 .017239931 .012675104 .022194297 .011673236 .008071205 .012856262 .011323771 .017019115 .013425645 .016896563 .009920825 .005341207 .00896156 .008585335 .024098698 .01198329 .025310045 .023395689 .018864754 .039693743 .023716353 .014911763 .01967056 .007441523 PC 36:0; [M-Ac-H]-@7.88 .12249539 .092281858 .158900189 .040447672 .097047057 .070879293 .073913153 .07723886 .10187473 .073432084 .014400839 .083660537 .059310617 .066241589 .054063525 .145407737 .085406774 .126232013 .091669429 .126719377 .07696622 .082638822 .156420578 .164256886 .154662965 .160572656 .100804504 .363605974 .126830329 .054678478 .122584464 .095299734 PC 36:1; [M-Ac-H]-@7.38 1.713426872 2.576541648 3.571724392 1.244041847 2.376675247 1.838901847 1.484853394 1.873683217 1.611515692 2.026019281 3.682408809 1.919267091 1.077679904 1.947846475 2.257401489 3.040408148 2.239974759 2.580607915 1.583750587 1.314859711 1.126488294 2.06605367 2.250991545 2.385908137 3.942635461 2.46725978 2.686500548 5.2294916 2.063225219 1.722966481 3.425501547 2.040930776 PC 36:2; [M-Ac-H]-@6.94 7.693575838 8.136167185 7.847292755 6.269161674 8.29245632 5.559649453 8.870529345 5.971454818 6.875858394 8.296326987 11.05869779 6.52867245 5.462414407 6.41551869 7.944219656 9.870224553 7.914514774 6.790837038 9.54944999 7.625281545 6.487026515 8.083100873 6.304376559 7.281113579 8.935850476 7.643504517 10.71859814 13.99747839 8.164498464 6.916275708 7.044389353 5.743711283 PC 36:3; [M-Ac-H]-@6.49 2.110333681 1.801284662 1.703199585 1.170607486 1.437560998 1.272469332 1.716281286 1.3263102 1.851219642 1.491198197 2.508117412 1.190258201 1.366446291 1.470204101 2.044606503 1.854981002 3.117525011 2.768905793 1.959049243 1.426273154 1.831165154 1.742204602 2.145405645 2.626075043 1.991900756 1.967869489 2.185912348 3.296595514 2.043482606 1.036061138 1.997317191 1.33650698 PC 36:4; [M-Ac-H]-@7.52 .366162226 .277215552 .275698187 .31763465 .221325745 .070534308 .409852117 .134207444 .151030449 .443979624 .020984462 .22827546 .483504181 .462497594 .095149617 .148273796 .32362516 .537337034 .35700372 .310017601 .283050944 .184123093 .412137297 .579462869 .105724509 .324746383 .519105811 .132753148 .089500066 .253247577 .440015934 .213832036 PC 36:4; [M-Ac-H]-@6.16 5.559313921 4.606016278 2.629406943 2.752258257 4.031583885 2.380389244 4.645035794 1.832315646 3.267486197 4.115732637 5.644166743 3.194416134 4.278639874 2.631620066 3.867332277 4.053991532 6.379445329 4.744671376 3.943858097 2.177981617 3.958691047 2.441124589 5.269628615 5.60794103 4.874304362 5.338309499 5.932302318 6.324968042 3.644744783 3.057577633 5.158833001 3.654684791 PC 36:5; [M-Ac-H]-@5.76 .200924106 .237938584 .194743698 .129790138 .170806745 .151489351 .146718317 .11083192 .151799118 .173947491 .332036229 .165601184 .166027541 .160305842 .180640326 .201950132 .206128188 .241548234 .195353389 .12266768 .161407338 .108838146 .402254577 .305675298 .300666725 .34187529 .234595813 .369529579 .186642618 .248661118 .197523036 .171459528 PC 36:6; [M-Ac-H]-@5.52 .032135911 .026343448 .031240545 .015509106 .040350908 .028946383 .027708035 .018121706 .035639672 .049216253 .059441146 .030469615 .038114652 .035311361 .050289359 .024254163 .05855414 .078744916 .048257939 .019963089 .030727877 .022974625 .075247221 .065462918 .072598897 .069900253 .050083297 .107634591 .054580965 .036125085 .069412073 .040424653 PC 37:1; [M-Ac-H]-@7.67 .015068593 .014501935 .007748432 .010417142 .014156897 .006253792 .005613411 .00713957 .008862688 .010341441 .015024467 .012210954 .010873679 .009653713 .012027094 .020772709 .013075654 .010666793 .006586443 .007896105 .005853211 .009481622 .010777322 .01001482 .00720152 .015208952 .010357235 .020566672 .009780191 .00929902 .01009735 .004642974 PC 37:2; [M-Ac-H]-@7.32 .082657695 .103588766 .090708583 .050674303 .07781757 .092681344 .181165567 .030823582 .097147778 .075991493 .125691863 .066680609 .094747259 .077002533 .082156489 .114188891 .072526427 .079104846 .097309556 .070027196 .055350315 .103288729 .063849937 .037083325 .103931587 .098028064 .10039638 .160025097 .067281847 .09824323 .114816187 .079783335 PC 37:3; [M-Ac-H]-@6.95 .717501801 .555927628 1.278223839 .310775383 .523592494 1.013656915 1.105334502 .571713593 .514449923 .897288964 .486231637 .357482142 .530345197 .434918398 .322836587 .716538976 1.437000483 .988946374 .61954981 .433819276 .66410482 .652690946 .828138413 .476187657 .622383769 1.284580247 .491924449 .689171929 .399620949 .560875698 .698701275 .593332564 PC 37:4; [M-Ac-H]-@6.72 .065898309 .026822566 .03924434 .074377149 .078051289 .037060566 .065867698 .068493086 .080127675 .047450286 .099099297 .041056508 .092568931 .050611725 .068023951 .0675717 .052067668 .047780041 .082945407 .058977731 .07508033 .039423786 .066770135 .068209987 .077866803 .154646005 .10987487 .155392233 .043298108 .053069976 .111582856 .062947808 PC 37:5; [M-Ac-H]-@6.15 .01537202 .010205852 .008941526 .008988641 .018356581 .007977465 .008376686 .007211747 .011787122 .010689256 .018981206 .009159857 .016715269 .016151088 .007846804 .010436412 .012978083 .012108166 .017297182 .015231107 .011628503 .015070488 .016787463 .013826314 .017522065 .014334071 .020837102 .021726356 .013479441 .019232048 .014068063 .009266228 PC 37:6; [M-Ac-H]-@5.93 .23525182 .172102965 .06084119 .123384185 .726429014 .145128302 .523783494 .145587239 .215109103 .222745767 .256495186 .210338351 .304689472 .302054561 .280931165 .320438272 .175906824 .211385847 .243882947 .47870233 .417647128 .732280855 .208416418 .2353528 .224321837 .203815998 .322898411 .170552195 .4364231 .157393474 .163218764 .134436343 PC 38:1; [M-Ac-H]-@7.90 .040078799 .035092302 .028524331 .049159964 .04404014 .041815042 .07014447 .038903984 .034132604 .05932192 .075670607 .026386019 .043014718 .042341918 .03989543 .054252185 .058818568 .04995931 .07620622 .038804674 .050270267 .03212961 .074549909 .030474005 .086536168 .055853802 .068991272 .086957711 .078464025 .058223633 .055688809 .042804071 PC 38:2; [M-Ac-H]-@7.55 .131105157 .158858274 .20207456 .078811336 .100139372 .133991554 .134934988 .112563699 .158847284 .130323855 .155798529 .088174665 .070358556 .128945345 .204181263 .23128511 .205333124 .193187209 .133628726 .106194073 .121433273 .146606512 .166132702 .139702009 .205245892 .199611549 .147352015 .315790558 .151170953 .11093858 .190000845 .117045551 PC 38:3; [M-Ac-H]-@7.18 .986196693 1.185152392 1.011179075 .425487128 .785255527 .688622629 .474903356 .396392103 .820887942 .658240579 1.071944195 .615331855 .42512944 .792553874 .780182946 1.256745358 1.360072537 1.414082624 .709085736 .356294634 .841310712 .988385552 .601299387 .55666335 1.333106735 1.159347859 .629197418 1.791181451 .537386112 .30481312 .981964544 .697840459 PC 38:4; [M-Ac-H]-@6.83 3.847094786 3.57272563 2.183149814 2.455253064 2.731356283 2.573771437 2.880842646 1.375256563 2.859107724 2.751798308 4.484456629 2.199466839 3.716936828 3.001470749 2.757285874 4.449909022 3.85087412 2.885992265 2.70414477 2.171922406 3.517997407 3.174631668 2.389027734 2.419013317 4.5079345 4.431093103 4.378508416 5.606768473 2.23772107 1.308214681 3.738612293 2.641257356 PC 38:5; [M-Ac-H]-@6.47 1.536302422 1.287119624 1.157103262 .826723871 1.179204957 1.321925214 1.181365322 .752513581 1.389718882 1.538464613 2.012622549 1.173849787 1.795210339 1.315264671 1.166376124 1.668586238 1.67628545 1.434384975 1.770893677 1.154264155 1.298704191 1.195732547 1.648965436 1.654628594 2.418132482 2.11122682 2.386866808 2.634001031 1.693590212 1.277602688 2.032930412 1.278036146 PC 38:6; [M-Ac-H]-@6.12 .409211569 .365528268 .185197739 .257521933 .379403424 .324928953 .327400495 .170713999 .427057004 .610376294 .44144835 .444676396 .499100972 .401303579 .269185652 .385519757 .44667968 .356824689 .318101379 .457244586 .465405369 .293631262 .464929063 .294630438 .585195585 .965422762 .780607009 .646587264 .400751697 .477127863 .439503293 .544825299 PC 38:7; [M-Ac-H]-@5.63 .251318556 .181263674 .190962248 .144783516 .136085088 .199957143 .180825211 .114722051 .21770444 .314127531 .315182065 .16643239 .188912358 .235537443 .120373552 .167685461 .227486779 .192431728 .273328942 .158281285 .140972354 .134655531 .19753257 .198011028 .467968899 .314058242 .334342718 .406737775 .313856165 .203087534 .198979663 .178319184 PC 39:3; [M-Ac-H]-@7.46 .070406672 .181558345 .11281544 .025455008 .161571053 .15438733 .208553944 .176513989 .143126141 .061235236 .120207297 .127461174 .166954622 .092951869 .134538925 .106516639 .180097052 .219652856 .140769915 .125890909 .084668619 .078107608 .162624447 .271166474 .190668172 .344442487 .220298329 .280590418 .096168933 .13026759 .152058636 .157925506 PC 39:4; [M-Ac-H]-@7.31 .034260306 .043036649 .031959815 .029325215 .034385586 .017311953 .036239944 .020347303 .038293968 .036643575 .02903451 .023944896 .063307192 .044072892 .050588181 .081072017 .029748627 .045809634 .034412197 .02527897 .047109783 .043104844 .026263267 .023507541 .024215239 .028709181 .084593368 .068714431 .034875619 .018510608 .045413529 .021074686 PC 39:5; [M-Ac-H]-@6.71 .008809543 .004643744 .003876733 .008127377 .010401529 .008340797 .008441601 .005972338 .008769989 .006250487 .0077528 .011983739 .008510096 .006792293 .00488171 .013694457 .004191397 .003988329 .007514137 .007893893 .014689205 .007745605 .005508879 .003744016 .010154627 .014550126 .008665498 .013731763 .008465495 .009974467 .009896253 .008281056 PC 39:6; [M-Ac-H]-@6.61 .013488827 .008882323 .010668164 .005242002 .0160649 .01988059 .034781388 .018688498 .021392444 .024761863 .013450325 .014614721 .033460968 .021794695 .018995306 .022108805 .010190316 .015902947 .022899858 .023626846 .027425367 .016701718 .022327695 .006555357 .028864945 .026956696 .042394637 .032819288 .024401346 .016261635 .042375211 .027002158 PC 40:1; [M-Ac-H]-@8.45 .011790249 .029813332 .007502538 .010420195 .008774343 .035237041 .014694832 .016317479 .022128972 .018473872 .026268491 .017961041 .007232876 .015472879 .004214114 .00391555 .012878935 .024336391 .012373327 .018647904 .007930311 .024072381 .01082373 .024670057 .038067134 .019390074 .033515826 .053470925 .01093245 .011689974 .00764886 .01659295 PC 40:2; [M-Ac-H]-@8.20 .08988655 .108952231 .092279951 .152626634 .235563116 .090241349 .322011835 .21064889 .203529602 .323089655 .177930404 .037220989 .1951619 .137172981 .041300577 .079570004 .142035759 .277483589 .232241599 .18223166 .066633417 .256529645 .115029435 .252350063 .216449772 .365225812 .141038208 .124390562 .163359491 .208483237 .131338538 .300398249 PC 40:3; [M-Ac-H]-@7.67 .071301066 .027013027 .059671683 .023872167 .05463923 .054013464 .028003365 .034819918 .052926139 .040823607 .028258679 .024981505 .051975289 .023265347 .024104465 .047476765 .045259816 .072643179 .040200818 .041318628 .064225267 .036601418 .037680165 .047155361 .051596919 .067270072 .025119804 .069947165 .025013415 .018981717 .024467247 .04551502 PC 40:4; [M-Ac-H]-@7.41 .307494177 .369696663 .222396397 .094068348 .230343696 .180651543 .163681602 .15794461 .151842976 .16809509 .387728742 .208807207 .185929281 .187723355 .29624773 .441456486 .266121874 .276808858 .117607087 .146767394 .238304585 .223167016 .160461655 .190284031 .26912728 .237009857 .25463999 .442084358 .08423212 .150987052 .299509748 .236724399 PC 40:5; [M-Ac-H]-@7.13 .472253656 .45331 .374071975 .216270619 .518908145 .404575775 .229288804 .193934688 .35192239 .392399244 .680605128 .407031055 .375598561 .411840091 .391032187 .610925839 .427283427 .459200422 .309541423 .283308456 .358543917 .436544264 .339867145 .317954345 .731801502 .590774078 .426868226 .851772134 .394324183 .345116794 .643634629 .402121569 PC 40:6; [M-Ac-H]-@6.78 .233878148 .206738603 .115253477 .119268389 .195004426 .226010408 .252000333 .150056335 .341664201 .361487146 .302859802 .220055388 .300246579 .348208016 .172975759 .282831731 .269502907 .232329161 .210965355 .179037882 .249315244 .223780312 .199564585 .12977472 .484436359 .490523472 .299094171 .548687207 .387795552 .201949706 .408065651 .327964609 PC 40:7; [M-Ac-H]-@6.31 .029393276 .022754009 .016326018 .014040535 .025554925 .019253099 .018938972 .017098336 .03063724 .043187051 .026306785 .024954882 .030392023 .028361193 .01621138 .025324552 .02212433 .020430127 .025708996 .025922078 .032285623 .02594968 .018737018 .021726891 .033342432 .05841617 .044664728 .057265189 .034118384 .032853539 .031602509 .040183821 PC 40:8; [M-Ac-H]-@5.88 .061574291 .109384283 .0886907 .069992658 .093613172 .080763326 .073270919 .054712395 .089581568 .069450278 .075003935 .085096651 .067725181 .081359416 .12159784 .078794763 .122892346 .142775713 .054933876 .052419824 .085801514 .049377822 .102581094 .079003593 .121634593 .093965005 .076337188 .188676719 .135771186 .068264682 .062238295 .050947499 PC 40:9; [M-Ac-H]-@5.54 .110412726 .111496904 .070224658 .060704538 .067683833 .05218016 .055762557 .061025771 .084917528 .064802281 .096632374 .096505365 .051993533 .03574628 .097508541 .09258261 .068472736 .076917827 .063906398 .059266924 .068603554 .049972653 .06512036 .044923256 .071972913 .05730463 .086327507 .119026508 .064231282 .061940163 .069774913 .076156963 PC 42:10; [M-Ac-H]-@5.81 .016848686 .015828663 .012064766 .009695068 .020122233 .015775511 .010210652 .009075761 .008760102 .006418737 .02275718 .014578655 .019973562 .013709479 .018722405 .008068385 .013366464 .021074883 .012365928 .015831663 .01012053 .007951721 .020024614 .014063873 .023379818 .011351123 .013258783 .035632686 .021987209 .014950024 .026147122 .021372617 PC 42:2; [M-Ac-H]-@8.73 .006086597 .00852154 .008440102 .003653518 .006523163 .009019988 .008947701 .008170352 .012273014 .009809157 .024196253 .005239098 .003898659 .005521014 .010688166 .008305538 .007313931 .028683605 .010198737 .011541412 .00868075 .009578714 .014611789 .016010297 .011593929 .010840324 .009414162 .018595477 .01056681 .009692737 .010924159 .013260389 PC 42:3; [M-Ac-H]-@8.17 .008962195 .02347902 .009266197 .00569175 .026061735 .012314713 .011371349 .020904008 .018704083 .015324818 .022746375 .028540997 .007290548 .013384234 .012334834 .009376919 .009949938 .012535368 .009242343 .014940291 .005592525 .008711193 .007643954 .019355522 .023729923 .020198015 .009856507 .031132978 .010816081 .022730839 .007034278 .012187363 PC 42:4; [M-Ac-H]-@7.99 .080666961 .07577579 .090860394 .03268245 .222152952 .090332202 .214454899 .115091966 .104663441 .070205591 .0514258 .06077161 .082390563 .065434087 .107372373 .151162014 .070399264 .133267121 .1101251 .156001854 .108599602 .177096157 .0638714 .107968277 .049366621 .056783775 .081329141 .089487454 .12423092 .047480145 .080724722 .046985913 PC 42:5; [M-Ac-H]-@7.55 .009195352 .008591868 .009622036 .004616742 .004710807 .011328764 .007099562 .008560066 .014009492 .010801481 .010348968 .009324991 .012578034 .00516825 .01499154 .009259918 .019511566 .011535374 .00977838 .012682725 .009338568 .011809884 .005543903 .005840154 .011945558 .01328421 .017257036 .011331147 .017643909 .00604939 .010783722 .00865015 PC 44:12; [M-Ac-H]-@5.69 .001545178 .000622652 .001498145 .00064062 .000847837 .001298825 .0000665373 .001034463 .00260479 .000595177 .000223067 .000188127 .001662741 .001887352 .003176865 .000901481 .0006827 .0013062 .000628773 .000335527 .000537056 .002206411 .001564185 .000253624 .002095541 .001063418 .001841764 .003537101 .002022091 .000734898 .000886294 .001260562 PC 44:3; [M-Ac-H]-@8.67 .159122427 .074498022 .058242418 .061032161 .093054311 .163103481 .082964903 .097854638 .06828027 .094604177 .064605122 .106681046 .085265681 .078354663 .059739934 .060361698 .213839974 .186151626 .102524886 .072599646 .0991329 .144815917 .175034124 .060033635 .136725534 .335049678 .11694633 .097480186 .108302067 .069523621 .095797946 .07493974 PE 32:0; [M-H]-@6.81 .299081079 .108485197 .165263625 .043450972 .044024378 .045604452 .0634595 .038593175 .096192633 .13638319 .075980266 .084110895 .035179736 .097512107 .016096045 .023260783 .043645615 .13976959 .019810637 .049457328 .061706655 .023771844 .239513845 .105216427 .067556351 .212664327 .099835954 .105687072 .210081185 .057560896 .047740223 .05408183 PE 32:1; [M-H]-@6.32 .470188462 .539273047 .484794817 .200031497 .006907429 .09346746 .027134205 .084708651 .046201465 .166499334 .743117808 .302106415 .033269917 .055644366 .189862763 .113995648 .907916698 1.2164747 .101026998 .054854943 .031472652 .065406171 .84956921 .846466154 .384879592 .17337531 .139009108 .748628952 .161188342 .073066117 .240585189 .108443065 PE 33:1; [M-H]-@6.63 .00258327 .001467528 .001129833 .000474121 .000677879 .000515341 .000500988 .000935042 .001678975 .002303969 .003350607 .001945883 .000677803 .00077058 .001927475 .001698515 .003564015 .004767892 .001982912 .001386689 .002624177 .000446248 .002632004 .001405133 .004091085 .001918694 .000880743 .001817976 .000849993 .001619256 .003052897 .002853324 PE 33:2; [M-H]-@6.16 .00191533 .003375211 .001905554 .002243831 .001301063 .000688937 .00153116 .000808481 .001139665 .003340002 .006088956 .005627491 .002323856 .001493037 .004542893 .003470014 .00631063 .005800342 .001292706 .004609692 .002904818 .000941702 .008494417 .003824453 .007386782 .000931615 .002736843 .005124948 .003509738 .004508302 .002818165 .003087125 PE 34:1; [M-H]-@6.92 .191155155 .343666237 .196834967 .075988345 .057880566 .042240639 .09503642 .085407253 .113752626 .107229418 .252196207 .157761061 .047804575 .044515723 .231855401 .176818561 .342760082 .462747114 .054980649 .04763719 .04448615 .059039206 .26307169 .20981825 .198722975 .144096617 .170645565 .388717699 .078729873 .053646909 .244291853 .118335223 PE 34:2; [M-H]-@6.47 .198115871 .320360382 .231303321 .165054123 .074378446 .073966678 .11275399 .084239304 .095091945 .164259385 .327802059 .154221181 .069281354 .08392247 .140892402 .122720197 .274376193 .405270263 .12882754 .093971898 .085925896 .066220161 .20470959 .196856419 .179948508 .128909884 .201354969 .302462645 .100966627 .12585845 .169685794 .125792517 PE 34:3; [M-H]-@6.11 .013706337 .046024755 .036464869 .01168213 .006070016 .005748068 .007766165 .006617099 .006466205 .015458202 .045374168 .024056457 .009369536 .007858284 .015877142 .010023839 .036116855 .037651692 .013282618 .008685475 .005985062 .007330954 .044649773 .01998782 .016607821 .013254459 .010002218 .062507552 .007415897 .014785052 .017726065 .018475928 PE 35:0; [M-H]-@7.65 .01205034 .012223195 .019172006 .007067016 .007047464 .014279174 .017321475 .012734093 .019189773 .027012673 .017145473 .004859846 .008839077 .013169497 .033869931 .016294303 .027482262 .011083027 .015464642 .013165965 .016403286 .019439541 .00852309 .020453817 .012340847 .021215369 .03066311 .026744829 .011846878 .014544277 .015771268 .011621225 PE 35:1; [M-H]-@7.17 .056861974 .110356527 .0688909 .041371879 .18753975 .032271262 .110474674 .083069232 .037208659 .056260834 .044133538 .045060275 .113884781 .052905884 .182822003 .126018364 .072563427 .115105336 .072564977 .022532492 .203409063 .132772393 .078117856 .272435641 .048191854 .03126685 .115138645 .051356439 .091747522 .00009697 .045786443 .054151677 PE 35:2; [M-H]-@6.79 .011408046 .025172904 .031574093 .01342412 .003104817 .004478841 .015194674 .017793781 .013466527 .025229502 .020128129 .009332598 .006342004 .005704003 .015998045 .01440115 .027383864 .019608996 .014673276 .014915908 .006467065 .004694957 .014047778 .019297526 .024821501 .019144259 .016172729 .037492217 .014611474 .008453481 .030630048 .018723231 PE 35:4; [M-H]-@6.14 .003757856 .003932515 .0038411 .004756307 .002685559 .002685377 .002068171 .004593075 .000892566 .00398102 .010429316 .005442087 .007016652 .001258354 .004520643 .002958855 .005089563 .008972316 .005030756 .002549893 .00190322 .002253883 .001006508 .006233491 .009785611 .005827632 .0042741 .008787147 .004882503 .003105959 .006870064 .003712589 PE 36:0; [M-H]-@7.93 .014008097 .012751177 .014231583 .01061097 .012129029 .015909775 .013741856 .013607312 .010611044 .01740586 .02950007 .009960573 .013991676 .013381012 .015330631 .017516268 .013229519 .020552697 .020848931 .019858927 .015716755 .016997473 .0304539 .017222847 .007975956 .017738451 .027392574 .027754498 .020683212 .013398302 .013238569 .021037111 PE 36:1; [M-H]-@6.78 1.606376202 1.740704158 1.859535018 1.006992385 1.200471992 .990047693 1.523183536 .714668149 .550121987 1.072243438 1.346936693 .432408807 .853493741 .791761484 1.225719341 .9190372 1.325807066 .492506782 1.121031414 1.061206321 .978212273 .878832388 1.500337959 .542212721 1.160235336 1.766302608 1.19582469 1.254168537 .57159247 .851476918 1.176663438 1.235944435 PE 36:1; [M-H]-@7.50 .089336781 .12671558 .107033908 .050914624 .051491896 .04466423 .058692803 .067617643 .095051916 .09270212 .162222682 .13162033 .040823707 .110361524 .068314068 .196350473 .13300697 .269714943 .090549056 .052507478 .033326251 .048708282 .088938401 .190568601 .065281034 .064561321 .136871529 .241703775 .107238398 .035942958 .152234755 .082395545 PE 36:2; [M-H]-@6.35 .02749081 .046959924 .031473191 .028141141 .019133281 .015920921 .029604441 .012327367 .032086794 .032651193 .031291603 .021222719 .020658859 .011222646 .029551416 .027329681 .039012343 .042016666 .039119606 .015591871 .019473801 .024485303 .053484159 .030226818 .032071808 .018629668 .026244227 .060446525 .037097565 .023710469 .036113767 .023599586 PE 36:2; [M-H]-@7.05 1.363519317 2.166478734 1.75075428 1.205013653 .828991482 .559980448 1.017603813 .690682918 1.108461231 1.276329721 2.401627201 .899654782 .551824304 .809710979 1.284888237 1.112078714 1.887432276 2.340136107 1.050204006 .981534476 .443576176 .659205396 1.209986346 1.403432085 1.643945897 .819965187 1.629609334 2.645122331 1.165855418 .938078552 1.310026982 .8175628 PE 36:3; [M-H]-@6.60 .240030475 .465847731 .320585756 .18693896 .095179836 .071146627 .233918555 .154758922 .192333953 .262828529 .463868585 .200272195 .124644818 .157371235 .178457054 .203361741 .498643094 .518214484 .281582339 .237161012 .11587922 .136444343 .372591445 .453765985 .302760115 .18123202 .246872175 .704859608 .270873991 .148150097 .382032663 .15094926 PE 36:4; [M-H]-@6.30 10.66448056 7.274521317 9.632243041 4.827177034 3.246046525 3.00089754 5.685776116 5.065987592 5.786425649 6.785308913 12.49580248 5.049130599 4.109914799 4.025447768 5.345203701 4.907068536 12.13689733 12.64083176 5.957202479 4.232362705 3.49282091 3.626456859 9.723691464 12.11022043 8.150540113 10.54662326 8.72005087 12.32612944 4.299384939 6.290661694 7.902086401 5.344426781 PE 36:5; [M-H]-@6.10 .018079221 .034754732 .035614144 .015722232 .012012075 .010397838 .008879808 .013436636 .010037359 .02201121 .054520966 .018903997 .014981019 .011225105 .012918231 .015907494 .028424514 .047257019 .011344864 .011791004 .006920961 .007119094 .093232283 .039835794 .041649124 .028389923 .014019022 .077476123 .017775 .035398722 .029099099 .018843902 PE 36:6; [M-H]-@5.66 .000974334 .000643285 .000550694 .00043397 .000833131 .000816079 .000465041 .000220711 .000192011 .00112205 .00291472 .000697314 .000548761 .001245165 .000427594 .000648111 .001174225 .000596838 .000159645 .000712804 .00128302 .000773513 .002489263 .000647189 .001114285 .002084597 .0000649345 .001640756 .000291809 .001267025 .00090501 .000885228 PE 37:3; [M-H]-@6.97 .003480856 .006392227 .003677231 .003139463 .001132743 .004990568 .002796694 .003826088 .004436399 .005090443 .003701813 .004906125 .00203024 .003037047 .005618563 .002667682 .004577639 .007792317 .001733098 .003856553 .000856303 .00173126 .001980031 .003887826 .008268945 .004727997 .002544738 .005937457 .001583291 .000634019 .00416587 .002610816 PE 37:4; [M-H]-@6.72 .078180808 .072697649 .080828443 .052774339 .03778098 .039694173 .025037976 .064905802 .018889947 .048858363 .088450113 .042708164 .085205925 .052053509 .082437719 .062551351 .084768941 .123183877 .024137168 .02955841 .039946532 .038374158 .037176189 .061795296 .115194709 .084862456 .073161811 .111444592 .035870124 .041296881 .112424457 .05392247 PE 38:1; [M-H]-@7.41 .030574815 .052613385 .041487919 .059525226 .296971812 .035458253 .180820056 .068778779 .020803627 .042730176 .057234896 .083888367 .095621998 .072700313 .092947631 .208322116 .048888969 .112699118 .035169507 .057389281 .058261102 .255435546 .006080567 .090606472 .114638795 .055975615 .045055587 .045895343 .036794617 .018897891 .05306897 .026865159 PE 38:2; [M-H]-@7.59 .014331313 .021089186 .008425241 .003514608 .005029624 .007410219 .008530384 .010081926 .013605137 .011161949 .004121954 .017858883 .00553547 .003711207 .00730379 .021299328 .016991876 .011796713 .004728348 .007472676 .014435782 .004730674 .007272969 .014055288 .005187365 .008822864 .009205189 .016508095 .00649061 .005272633 .005081215 .005973547 PE 38:2; [M-H]-@6.99 .01307022 .018255556 .009871813 .008831138 .010402673 .007289762 .012240524 .009393339 .004265034 .006606704 .016811841 .015722259 .007329402 .008514237 .009187157 .018474531 .015178263 .011761097 .008112074 .011216098 .013162522 .007597481 .010110793 .012563037 .013328409 .010107138 .014191807 .011501297 .008335566 .006308415 .006863122 .009773388 PE 38:3; [M-H]-@7.30 .570240064 .596427453 .452539263 .28267742 .269829187 .155572613 .197323556 .183461944 .254291909 .279061238 .576084483 .285534858 .281776193 .182832879 .458224016 .410490416 .713739551 .764112217 .202432282 .2869159 .215868253 .230458095 .318999021 .422531823 .539711959 .373075664 .48982237 .655737738 .178334992 .239394882 .428582433 .273712328 PE 38:4; [M-H]-@6.99 1.601577679 1.168430082 1.086514385 .910186387 .684830111 .497925254 .812513481 .964650948 1.051062065 .795622983 1.712867671 .72731619 .970915312 .693466262 1.773822391 1.421557062 1.517769464 1.6843385 .814752353 .76001447 .909173091 .710775707 1.045526586 1.118645922 1.188525619 1.070808826 1.650081352 2.157759519 .842110638 .671078426 1.069163638 .76776745 PE 38:5; [M-H]-@6.59 1.207069965 1.421915702 1.189916277 .684588903 .269573596 .398924712 .437082321 .621989979 .494629008 1.173986642 2.2282526 .634008205 .740627337 .591522622 .7933608 .923615573 1.949166401 1.940334853 .818114351 .741967878 .547792435 .490309807 1.13277656 1.437786797 2.133536062 .9226702 1.461656985 2.53062284 .878139141 .830947189 1.881047535 .822047325 PE 38:6; [M-H]-@6.23 .439419163 .358874543 .16461893 .200324419 .056460973 .100342068 .101031902 .135265236 .252142671 .485411061 .322910277 .275448278 .167474131 .136581286 .090132396 .089036168 .377450112 .39681932 .198911419 .1771455 .104238789 .078293221 .349625074 .195814494 .558673536 .474699086 .474991691 .553675997 .223238054 .377704624 .407914109 .325952779 PE 39:4; [M-H]-@7.73 .068205042 .026774651 .086610064 .041219419 .066593262 .030129629 .089059897 .04883227 .028521992 .021470786 .062728773 .139866296 .066945989 .060045505 .135548726 .082334879 .090508099 .077549346 .067699805 .062451753 .071947564 .071432256 .049776511 .057120808 .035350413 .040842206 .116220375 .03025763 .034393134 .028814712 .027558654 .048065774 PE 39:5; [M-H]-@6.86 .361556931 .157847889 .192689368 .198597482 .096877014 .1355854 .278449611 .264956396 .247549763 .41009377 .291929856 .252846112 .212650991 .221046268 .255718105 .203597268 .394192486 .24074484 .274621079 .362979996 .239948341 .238385333 .432915877 .416255057 .095406535 .190698597 .341747066 .289224541 .241382472 .228529545 .421674527 .323281768 PE 39:6; [M-H]-@6.61 .018873002 .01678612 .0090546 .016194528 .010870016 .011920377 .016728172 .017556753 .019235669 .029954389 .039884266 .016700598 .018293324 .017401183 .016595221 .017619712 .025352449 .011944417 .02645793 .017917542 .009927139 .007783752 .021045955 .020929296 .035419245 .017812111 .027054861 .027245445 .037654375 .018427964 .046817184 .018240623 PE 40:4; [M-H]-@7.49 .059143039 .047880552 .0500943 .043864097 .027816175 .023569321 .026675019 .059183729 .046645929 .054068522 .074684652 .028241796 .050489586 .045508362 .069079247 .094288685 .064572567 .073143193 .022618902 .014764631 .038198738 .023664399 .029860921 .043507268 .040793793 .021219238 .034647021 .12324492 .024700285 .042045066 .04678605 .029355077 PE 40:5; [M-H]-@7.17 .394551334 .402013919 .322927141 .170505372 .136056558 .115225048 .128024139 .153340136 .199030631 .199654304 .475624877 .246848678 .163095712 .207578234 .281602726 .321972435 .387481626 .408996535 .229662077 .159870356 .15328469 .120337869 .211930499 .268914701 .453624314 .276464362 .403352716 .510512884 .194860262 .158743197 .339173951 .239426176 PE 40:6; [M-H]-@6.97 .424972282 .458009542 .215524738 .191758182 .066430598 .118227317 .15091884 .115099082 .203785902 .364059805 .478985658 .30874429 .17747845 .179384926 .16362549 .187663298 .429944219 .468136668 .147235388 .181774753 .091244303 .085099998 .264033229 .154239914 .569660576 .370843495 .628221461 .702830698 .349345916 .243929025 .457662158 .349531897 PE 40:7; [M-H]-@6.48 .042130502 .023345284 .015128747 .021072073 .001888182 .007891965 .01603433 .017459677 .045359637 .064181404 .04260331 .038210912 .020854418 .025977652 .031992588 .034429402 .045719306 .057594314 .030035394 .021253438 .018398276 .011896834 .022798531 .017844529 .061445197 .073574946 .100753571 .073601388 .043308113 .044037887 .047234424 .044437485 PE 40:8; [M-H]-@6.06 .003984734 .002818208 .007313859 .003768729 .006285808 .003572657 .00565088 .012816518 .010617271 .00960718 .021196718 .012864983 .008784223 .010375755 .011385166 .015098915 .016610065 .015719105 .006656723 .004561888 .004760672 .008294555 .011205965 .008956136 .005617633 .016903274 .00945694 .020376847 .014397638 .008777042 .013142951 .010105676 PG 33:0; [M-H]-@6.13 .002066529 .013992204 .004144888 .005210322 .005849762 .006729684 .005197228 .003758187 .004456765 .02248436 .010660029 .004731483 .006105088 .005458034 .004246103 .00626608 .011774265 .008606833 .003470778 .00707159 .004428355 .002261492 .0113522 .00627759 .008560834 .004258113 .005742787 .005843738 .004628279 .004432121 .007651945 .003855601 PG 33:1; [M-H]-@6.58 .014178445 .018544295 .024932317 .019594662 .026488119 .020260715 .01941518 .021168213 .017988173 .019803573 .025009317 .018659878 .027167268 .026564254 .018373287 .031344022 .024370248 .017972297 .031504526 .022555754 .029354186 .026092263 .050572335 .03431135 .029674578 .019243605 .013784113 .0334384 .013378544 .024084226 .024408343 .018465095 PG 34:2; [M-H]-@5.52 .001504488 .004872285 .000490172 .001124847 .001239088 .001338054 .000190882 .000921554 .000921491 .000376034 .004341916 .002982396 .001775919 .001728238 .000887411 .000480226 .00356778 .001965525 .000960116 .000500676 .000894676 .001470751 .002885826 .000631791 .001652741 .000567949 .001101376 .005525133 .000643474 .000767907 .003348498 .000990332 PG 35:3; [M-H]-@6.36 .001634449 .00255771 .000467477 .002023584 .002165392 .001481105 .000904401 .002332582 .000437425 .001880623 .004236762 .002984018 .000863889 .000789677 .000637503 .002131715 .001156474 .004435873 .001078877 .003013536 .001235574 .002927307 .0025574 .005043908 .001629333 .002837619 .004038977 .002200117 .000382958 .001703885 .001355228 .001093216 PG 36:0; [M-H]-@6.94 .089045309 .076173895 .048348566 .0253816 .066421703 .016909108 .056440599 .073053551 .063967704 .092903405 .135502063 .062625974 .06708122 .050628066 .104968727 .225578859 .123659333 .081212097 .068281899 .072884704 .091023928 .060222313 .118552586 .185572213 .084848778 .139475159 .125344288 .187867051 .049503129 .036329021 .109647063 .089628728 PG 36:1; [M-H]-@6.50 .836849708 .731725402 .751341532 .501826937 .712486161 .616847127 .103090077 .762216338 .602885268 .311993879 1.080314983 .668762308 .558428077 .613676028 .025833478 .980812921 .684340085 .647205005 .917042993 1.032094663 .613027802 .936287042 1.339749001 1.40764863 .693124495 1.397023162 1.151847854 .370923247 1.099146142 .740111579 .615306487 .724177499 PG 36:2; [M-H]-@6.15 .035095916 .102784604 .053642097 .034283762 .016628915 .008233772 .023967663 .02450421 .031638382 .047086211 .058827673 .052028548 .050737765 .048822481 .025098823 .033223498 .06610658 .064548697 .024503391 .033875353 .019161022 .023340758 .029366455 .029962946 .047814526 .025263718 .036770261 .040980468 .033530466 .033710451 .050636081 .057951499 PG 38:4; [M-H]-@6.13 .061688376 .031727933 .022003484 .019753043 .032417724 .013155459 .013566534 .007635821 .020462987 .028776223 .099005917 .03426301 .117321588 .054959604 .050624523 .135870345 .047433034 .084462311 .019486782 .046126928 .03481027 .0371555 .014024586 .013920184 .001148016 .024042338 .007190071 .011966833 .050313806 .021140963 .023557214 .017540703 PI 34:1; [M-H]-@5.75 .031107947 .023559317 .013698067 .006418263 .016168349 .017311116 .019696421 .017878116 .026422348 .01039003 .04114679 .019355186 .008286218 .012417694 .029924408 .018398071 .048504525 .099338133 .020247575 .007602669 .006954781 .005593821 .040800663 .028903976 .039177737 .014131326 .021328415 .079662454 .014357762 .011155639 .02400818 .016792623 PI 34:2; [M-H]-@5.33 .024279801 .024862486 .017981203 .00856773 .008541359 .00701333 .007184029 .008928301 .008848376 .016649761 .033604152 .017331646 .008066055 .005637829 .024147341 .021764699 .031987014 .040954565 .009983071 .009337428 .012292729 .010842346 .016715108 .011813417 .028597895 .012520207 .012222019 .048532068 .007344057 .009742123 .012600706 .011627092 PI 36:1; [M-H]-@6.38 .012112456 .016679131 .007323888 .0061611 .012975557 .01438041 .009036602 .006686329 .008779322 .010857981 .010192481 .014023719 .006052904 .006415123 .007865286 .002479165 .013775855 .013354505 .012785509 .009430653 .008738259 .005993827 .014517767 .011007863 .009861388 .005100507 .005791952 .014417309 .007542067 .011235377 .008583338 .009932551 PI 36:2; [M-H]-@5.95 .053441964 .048314177 .030890094 .033667818 .040530483 .035856677 .031460583 .032197857 .038572315 .037849117 .070752784 .049748151 .018050331 .021808604 .034128025 .038451487 .060585567 .059037366 .030437942 .022505217 .041237142 .039881961 .044619127 .028403563 .036599158 .0288853 .043907778 .071474637 .03490418 .031922622 .029366645 .040623388 PI 36:3; [M-H]-@5.45 .031095817 .030340633 .028877274 .016086692 .031868612 .025400385 .040006463 .014824166 .035899292 .024516795 .047011174 .022408524 .030666392 .021977302 .036346334 .030854844 .045215068 .062180245 .023387194 .01431584 .022569991 .029562922 .029231191 .02302126 .051156986 .017593926 .028863557 .097472455 .041174278 .016098763 .036448238 .034542343 PI 36:4; [M-H]-@5.31 .749656086 .782316804 1.062345223 .277410391 .422939776 .338035536 .464004574 .214650508 .370467982 .463280868 1.191195754 .605659309 .264774933 .424140556 .611003317 .756137095 .903818913 1.399201749 .324245801 .310689585 .206355878 .372947108 .703178787 .64289611 .928252096 .769625852 .177231672 1.712446045 .189476869 .276821299 .821662375 .426615434 PI 38:3; [M-H]-@6.15 .145542131 .222405438 .130041594 .130666311 .159385543 .162025334 .100976045 .11696415 .191401161 .199526922 .14746686 .170063112 .175280215 .108721711 .237406095 .196655453 .320395263 .278006399 .112394984 .127554253 .16371445 .110288028 .120185487 .12731436 .354877323 .131466912 .074588704 .247786717 .263020035 .164294521 .173376398 .165806405 PI 38:4; [M-H]-@5.95 .268421272 .204207341 .119937507 .15318344 .124797 .08504632 .12645754 .125341872 .177936785 .136811667 .257528145 .234756468 .11286701 .078989243 .205363575 .208744907 .185388834 .189278392 .139874338 .104798492 .180906733 .116607105 .138666572 .072993343 .144239227 .104065917 .20882201 .269420587 .138086164 .125987441 .134099988 .152223137 PI 38:5; [M-H]-@5.44 .034994337 .03399872 .032814504 .019911161 .039586629 .03599417 .026882282 .02275804 .040492255 .045926243 .056736422 .022869184 .040805092 .039159955 .052714043 .05063289 .042133122 .063986995 .029355087 .028330444 .03451073 .038625137 .048407048 .051313936 .05104785 .027352969 .048720208 .139562531 .050173042 .014351402 .055342549 .037329439 PI 38:6; [M-H]-@5.19 .004146744 .00930264 .007177815 .00339378 .016760808 .022202625 .024143217 .010569558 .018355146 .015313561 .020783984 .009601896 .011777013 .020011304 .009931554 .00662761 .008130796 .031083039 .020344975 .008959166 .019236575 .00841832 .02663576 .007554731 .037037565 .014819022 .006791503 .047885845 .004488793 .006682773 .016340358 .017022861 PI 40:5; [M-H]-@6.20 .069217256 .028948416 .023822247 .015455152 .080732674 .061761473 .022088679 .022121942 .016004015 .028807897 .099771661 .04803062 .045774365 .041696622 .034754391 .048356142 .060520985 .021890033 .036549452 .018431174 .049416294 .02514814 .050475468 .040569291 .044707994 .032152543 .045039239 .074304639 .06033094 .064762362 .068193912 .051112088 PI 40:6; [M-H]-@5.87 .017988362 .004752808 .006763505 .008921015 .01034416 .011433543 .012230995 .004227665 .011401178 .015607129 .011165281 .014922212 .01902603 .006179843 .019255036 .010054947 .013611754 .011899944 .009961912 .003667785 .006866716 .011040639 .010033931 .014763982 .022654212 .010803025 .022907597 .032116637 .020047509 .014223756 .017454375 .018980374 PS 36:1; [M-H]-@6.46 .025544145 .020104062 .020173405 .00598406 .010387374 .001591434 .008604279 .016350061 .011642474 .02826522 .025102359 .013101028 .010081929 .010782154 .027192546 .040262983 .032499146 .04351369 .008012083 .015221019 .017347491 .013303821 .009451525 .014595927 .018083867 .029335992 .023609372 .025977186 .006957729 .015665258 .016500895 .022567237 PS 38:4; [M-H]-@6.06 .011828167 .008461712 .012498104 .006703743 .015373171 .003054239 .009462898 .015492512 .005264011 .011440248 .021766916 .014134026 .014708779 .009045273 .027780464 .039787206 .014092664 .028018248 .002848918 .01285352 .019794576 .009839195 .002908537 .01143671 .007824592 .015421862 .015406087 .018638836 .003515216 .013504164 .009930413 .017161274 PS 38:5; [M-H]-@5.53 .001352487 .00100846 .001106257 .002277982 .003427684 .001644864 .003026398 .002148028 .001271129 .002191764 .003660128 .003160573 .003252545 .001662778 .006147525 .007424736 .001687922 .004566407 .001210334 .001860329 .005343363 .001331846 .001760723 .002661217 .001626968 .002923556 .002178588 .003359023 .000665735 .000852178 .002603319 .002488836 lysoPE 16:0; [M-H]-@1.76 .140113735 .105691051 .172777205 .087406368 .104782998 .067943788 .121901587 .107772518 .109822007 .165322682 .146100064 .087553169 .081907752 .081179353 .121144969 .091195582 .171198472 .13993626 .085433359 .097776019 .09210923 .085262003 .394642364 .327518003 .242978718 .119789459 .094055327 .23591794 .119664106 .088487027 .213951556 .132028673 lysoPE 16:1; [M-H]-@1.33 .001267668 .002219078 .003218287 .001496098 .001509244 .000352107 .000437929 .000766417 .000905 .001460627 .003229158 .001130068 .000643225 .000946248 .001496409 .001657091 .002582515 .002930976 .000470876 .000825989 .001053671 .00066347 .007800763 .007108096 .002328715 .003046852 .000727131 .002694347 .000712624 .000445494 .002468528 .00146069 lysoPE 18:0; [M-H]-@2.56 .119741595 .099870641 .147854995 .08153108 .083720627 .050872728 .108678434 .105128118 .126348084 .115396977 .184189606 .09269469 .091866 .068940604 .162245446 .132618107 .133998815 .145550567 .086036217 .095441975 .098678016 .084855553 .228804118 .239847003 .157265131 .129962131 .096905932 .263780091 .130321205 .092240034 .15975036 .097239456 lysoPE 18:1; [M-H]-@1.93 .109214353 .187505331 .226674973 .199386975 .155409772 .056239152 .188031808 .131671742 .20320704 .15610854 .23656211 .118060268 .081077899 .114648932 .140718604 .112883398 .197407332 .193078798 .064899902 .093340149 .088484421 .208429824 .617506968 .618035208 .266313126 .109148278 .101614836 .249734892 .15534293 .080440096 .340311708 .221322548 lysoPE 18:2; [M-H]-@1.45 .098096113 .124727249 .191960714 .107454247 .109975933 .046028161 .187049431 .106588145 .10653436 .101543099 .163150147 .07842908 .041193977 .093064691 .142734805 .096555012 .140787717 .095273991 .092335926 .075553789 .075692715 .091218797 .348588598 .398716606 .115891382 .085116234 .069034109 .222883789 .1466924 .090438983 .148671137 .108540507 lysoPE 20:3; [M-H]-@1.70 .008207398 .011106804 .014329399 .005658226 .00749244 .004586265 .004375262 .006067537 .008349001 .006471638 .012759131 .006012265 .004986155 .008052164 .008048036 .007233568 .014199842 .012067301 .004851603 .003499681 .007775693 .010961678 .018463785 .019444317 .014376165 .012793602 .005842673 .016569005 .005578854 .003180946 .012760245 .008418067 lysoPE 20:4; [M-H]-@1.42 .106392003 .076941103 .080870058 .073668284 .069949904 .043569126 .084001301 .074308785 .095833207 .075498168 .114882121 .058702498 .069097047 .073928831 .119832774 .086608394 .099071947 .072401638 .074562457 .062509184 .075212293 .072199981 .238713426 .297897488 .108021838 .096930371 .098145465 .160461657 .089385495 .061250848 .148759253 .131364773 lysoPE 20:5; [M-H]-@1.13 .003340994 .003098995 .00458244 .002012069 .002964719 .001534566 .001775459 .001094498 .001594264 .002984568 .004522696 .001320915 .002573326 .002280614 .002141332 .002064685 .001505156 .002358399 .001562152 .002207218 .002328327 .001629479 .010526806 .005945235 .004882442 .004419933 .001660857 .008767324 .002848196 .003241203 .003237474 .004136565 lysoPE 22:4; [M-H]-@1.96 .121863491 .157819555 .183784025 .063066458 .051138545 .052015187 .070658988 .160679204 .082471929 .045001861 .160278532 .065150735 .039616654 .059395604 .099486812 .072137944 .082805549 .11657578 .100759699 .028340015 .067788074 .062346651 .15706579 .317787696 .058807041 .073481092 .059738417 .138029239 .04822196 .027586882 .112819335 .123117193 lysoPE 22:5; [M-H]-@1.64 .161014077 .205876519 .202618741 .100930292 .269164098 .131005397 .183254218 .116733136 .116026111 .086190729 .291310666 .200722845 .124433184 .138200303 .18824872 .27992152 .184600419 .178547503 .16239755 .185151014 .155138471 .366665852 .261272114 .539924701 .157761371 .084652383 .156459142 .23221034 .234389199 .125054791 .179845783 .177408474 lysoPE 22:6; [M-H]-@1.36 .079420232 .041110778 .038472148 .04107334 .04618316 .024730736 .064597298 .04188356 .080987553 .079715763 .083105132 .057423561 .056556756 .065211159 .048169176 .041408537 .063858703 .050028969 .053023619 .034062914 .056987623 .043705172 .162740967 .141534585 .159165419 .162302555 .096761285 .141634442 .106343422 .087614441 .156308449 .149305761 plasmenyl-PE 34:1; [M-H]-@7.24 .233670564 .340456424 .21238747 .161306667 .166885295 .1463876 .178980305 .158575122 .188718321 .24647545 .377357124 .255549479 .182771995 .169601428 .316582486 .396355832 .266185116 .303800624 .196803162 .211210963 .183177083 .16572814 .345952456 .363011518 .322711007 .271759966 .402973129 .775329868 .134760865 .121518307 .305752351 .296431272 plasmenyl-PE 34:2; [M-H]-@6.79 2.801925028 3.032192497 6.3822431 1.636004637 3.699041739 3.50556195 6.214926774 4.362587561 2.576242146 4.085186177 7.231916966 2.644807328 1.895081114 2.666369069 2.033345524 3.1699296 3.005991682 3.032053373 7.263058813 7.25024166 2.627543183 4.287766471 7.813401845 8.658823162 5.140186591 6.885505729 7.635273474 8.244744384 3.442761804 2.203508443 2.884236969 2.543800396 plasmenyl-PE 34:3; [M-H]-@6.46 .002055425 .00696984 .006073325 .002776213 .005079233 .0055391 .004774606 .005748959 .002137332 .006588993 .008857582 .006117391 .005088149 .002743392 .003376679 .008189546 .001824417 .005060295 .007670469 .00593029 .005244596 .00443338 .008939311 .007969031 .006058575 .005095256 .008779909 .011893775 .002804526 .003140128 .00483037 .002573619 plasmenyl-PE 36:1; [M-H]-@7.80 .123496423 .188916601 .231797445 .104394316 .183279099 .169540232 .144569031 .129475113 .209203682 .274207711 .368957222 .143269097 .15355277 .173571571 .166010753 .245967414 .18586822 .230972513 .190493997 .166773362 .129643371 .163080327 .347866326 .383777172 .366258404 .232899177 .697763931 .607488804 .150071603 .095385935 .390879083 .217525207 plasmenyl-PE 36:2; [M-H]-@7.38 .366482096 .39669128 .756448377 .564506318 .695937354 .376440545 .6319943 .735835031 .48905748 .982746363 .831447079 .510754772 .502077247 .413813659 .4050496 .725698836 .626563153 .446223996 1.064514217 .772446684 .382024932 .634863417 .789304654 1.037742546 .950954884 .697940237 1.510262866 1.424187721 .465454465 .302913755 .778345692 .646545819 plasmenyl-PE 36:3; [M-H]-@6.97 .257720744 .318316822 .330546483 .164438354 .327145658 .2286203 .529755684 .405457247 .333626079 .301056532 .504105164 .305957395 .293827594 .299413392 .44600902 .52471381 .420213344 .372740889 .580291304 .601651214 .40264634 .401376962 .638726305 .709436983 .436804609 .470413218 .762516234 1.018153799 .325267761 .184437107 .367139676 .2844853 plasmenyl-PE 36:4; [M-H]-@6.72 26.07312731 16.75653457 18.27890067 5.264891206 11.23646844 8.697077875 23.33613582 13.0577938 8.943542242 14.50635052 22.76896818 17.58659806 7.150078917 10.94777035 16.69668953 22.86920641 24.05603574 22.37168385 22.55950737 25.27863627 17.64664434 18.76290154 27.3364357 41.60270437 16.23745194 42.62159367 31.13761199 38.30101715 9.210804743 8.25580944 23.89678403 17.72628156 plasmenyl-PE 36:5; [M-H]-@6.37 1.002588363 1.14648834 1.028185224 .614679113 .908684321 1.357827362 1.50457389 .830980981 1.087754493 1.527314275 2.034508598 .951207671 .725211893 1.356013775 .87829754 1.24218112 .795430198 .724680911 1.779174067 1.581570595 .889101237 1.295471156 2.966165908 3.30372157 1.652368783 2.575020922 2.219554722 2.183805513 2.61803673 2.161840668 1.701779494 .967879541 plasmenyl-PE 38:1; [M-H]-@8.31 .009051567 .009863821 .006576359 .007312548 .014763083 .004769989 .007236039 .006567214 .015189854 .012686526 .015300506 .007924805 .006012907 .007196699 .012317568 .017506864 .021941325 .014174156 .005999412 .0091489 .011039646 .011298438 .012720082 .014693863 .009551064 .026105814 .017133017 .018089646 .002773622 .005752369 .010109524 .014295469 plasmenyl-PE 38:2; [M-H]-@7.95 .028746812 .070773764 .142943956 .066564985 .106286478 .053464486 .149435898 .083128559 .091064074 .082725046 .131328491 .064118928 .066958298 .06191974 .123250838 .136465389 .080202652 .124700096 .093093806 .162503632 .087894222 .109001545 .095987982 .128423748 .155589483 .127276621 .15225473 .221283978 .087291169 .072016019 .088354781 .116598911 plasmenyl-PE 38:3; [M-H]-@7.60 .182742821 .154467782 .133523749 .085058083 .180863487 .081886298 .188905011 .162933905 .139499299 .150458919 .264883794 .194758935 .150787296 .159031055 .239890193 .315606422 .246257621 .209196868 .241654077 .196516492 .225757741 .194424169 .383303877 .245863663 .241342847 .296959516 .3341468 .559296862 .084450165 .086717063 .244903223 .227614326 plasmenyl-PE 38:4; [M-H]-@7.30 .891809263 .689890693 .658714303 .536768709 .757251025 .274104032 1.066354199 .952087242 .679276444 .803344906 1.088076141 .859641132 .801477537 .722579962 1.415905689 1.84314472 1.175056241 .864912232 .97228528 .907029713 1.273959296 .930859506 1.208480403 1.756199877 .815245367 1.412342605 1.929298029 2.145689061 .372029979 .604889593 1.291732958 1.087053772 plasmenyl-PE 38:5; [M-H]-@6.84 1.153367044 1.098143001 .933425948 .515903338 1.116592076 .68587597 1.489469237 1.076849036 1.138109881 1.252669546 1.808810171 1.032412439 1.106246142 1.041287385 1.477796316 2.029213468 1.487561789 1.312212303 1.413338524 1.555547564 1.314982675 1.19013913 2.457879413 2.724348997 1.402856967 1.547067914 2.328976713 2.688378479 1.371719579 .731739676 1.479009988 .977062025 plasmenyl-PE 38:6; [M-H]-@6.64 1.417888256 1.439008308 .430594927 .609262014 1.249566908 .691504475 1.18909874 .804009155 1.199028781 2.071664012 2.504189995 1.366632335 1.239875641 1.035208125 1.228397035 1.37593856 2.001645807 1.234880078 2.232436425 1.855299798 1.684242451 1.423605242 2.700287931 3.359767455 2.324339007 2.060917471 3.407290852 2.664634023 1.470791339 .954434398 2.178268029 1.31388467 plasmenyl-PE 40:3; [M-H]-@8.13 .105425136 .140124412 .093480871 .058007692 .119058304 .128333222 .10648337 .135440658 .086606842 .12025134 .12100542 .069768234 .164211112 .177920208 .19114674 .370121381 .147487777 .138843882 .15403035 .132965546 .148104612 .166086793 .14130425 .193171134 .1732717 .214679683 .160387506 .264385617 .061982001 .167853759 .109802931 .087563245 plasmenyl-PE 40:4; [M-H]-@7.82 .241096337 .263884828 .192127696 .141923013 .156868872 .063719689 .242053845 .250388961 .141011052 .19474488 .280998879 .099671359 .158971588 .14734448 .439413337 .502745084 .23142581 .319633134 .145566849 .235087793 .278136186 .198727872 .189636175 .394472636 .173885656 .400059477 .273023182 .54818889 .123298018 .133668321 .227160993 .21753339 plasmenyl-PE 40:5; [M-H]-@7.39 .196084171 .175364638 .170317412 .087780226 .160503752 .070131502 .204594902 .184009519 .14552633 .219824885 .350844512 .165884828 .156226116 .181189568 .261272455 .356909302 .266675775 .221349305 .216534187 .167329808 .200047499 .17245063 .299363416 .367535551 .19572281 .259496934 .287753671 .43329832 .192746542 .115218205 .279426903 .166921167 plasmenyl-PE 40:5; [M-H]-@7.62 .195727917 .174176319 .169052161 .086988241 .159839309 .0695259 .203397507 .182610039 .146700607 .217974153 .349906567 .164473877 .1548985 .180050982 .261811519 .353938913 .265042084 .219421252 .215865182 .166117591 .19987089 .171110476 .297017265 .364737141 .194306825 .257333775 .28778841 .429528591 .191558486 .114501604 .277535975 .165445771 plasmenyl-PE 40:6; [M-H]-@7.21 .308519167 .301603826 .218319297 .328723407 .491895268 .236252453 .49902061 .262403429 .81827283 1.340721457 .712476927 .556320921 .368036988 .496800526 .510640148 .594615703 .966588636 .374105877 .630666061 .860348339 .529935561 .467104873 .72349588 .757243178 .972008988 .980038845 1.331175207 .946609061 .439252764 .310534624 .692440303 .786347777 plasmenyl-PE 42:4; [M-H]-@8.27 .050904852 .057081797 .039467601 .03520154 .054447284 .026620384 .048069021 .046201485 .049973966 .056058384 .059243362 .0382595 .025476526 .037631197 .09568396 .087657967 .040935291 .066444435 .028635898 .046540586 .053019376 .050111479 .038825913 .051630919 .039509225 .097795607 .101729617 .074939347 .034027653 .061900044 .049467139 .056775127 plasmenyl-PE 42:5; [M-H]-@7.94 .056357744 .126412185 .061278637 .082565987 .09823739 .054225309 .080251485 .081376142 .066721488 .131794915 .118855508 .077271755 .067197619 .093310765 .195841327 .181542327 .183352433 .166502252 .071010336 .069571808 .130311421 .137099247 .104556778 .08568519 .133183517 .205639288 .22944393 .222622064 .073672363 .121746996 .125135807 .060498131 plasmenyl-PE 42:6; [M-H]-@7.82 .018516167 .012847144 .008534736 .008003628 .012044888 .038476256 .063374329 .034919142 .038737648 .067283458 .029079513 .017410891 .025709637 .030587212 .046073571 .068223789 .028590021 .044313061 .031860353 .03800699 .025964062 .040298733 .083847573 .055196009 .056329012 .068220873 .090467544 .105506097 .052870298 .032653054 .058930308 .038791604 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CL 66:1; [M-2H](2-)@6.32 6.32 CL(66:1) LipidMaps Bulk ID CL 68:1; [M-2H](2-)@7.36 7.36 CL(68:1) LipidMaps Bulk ID CL 70:1; [M-2H](2-)@6.53 6.53 CL(70:1) LipidMaps Bulk ID CL 70:5; [M-2H](2-)@6.06 6.06 CL(70:5) LipidMaps Bulk ID CL 72:1; [M-2H](2-)@7.76 7.76 CL(72:1) LipidMaps Bulk ID CL 72:3; [M-2H](2-)@6.83 6.83 CL(72:3) LipidMaps Bulk ID CL 72:7; [M-2H](2-)@6.14 6.14 CL(72:7) LipidMaps Bulk ID CL 74:1; [M-2H](2-)@6.80 6.8 CL(74:1) LipidMaps Bulk ID CL 74:3; [M-2H](2-)@5.64 6.36 CL(74:3) LipidMaps Bulk ID CL 74:3; [M-2H](2-)@6.36 6.36 CL(74:3) LipidMaps Bulk ID CL 74:5; [M-2H](2-)@6.46 6.46 CL(74:5) LipidMaps Bulk ID CL 76:10; [M-2H](2-)@6.67 6.67 CL(76:10) LipidMaps Bulk ID CL 76:12; [M-2H](2-)@6.67 6.67 CL(76:12) LipidMaps Bulk ID CL 76:3; [M-2H](2-)@7.14 7.14 CL(76:3) LipidMaps Bulk ID CL 76:6; [M-2H](2-)@6.67 6.67 CL(76:6) LipidMaps Bulk ID CL 76:7; [M-2H](2-)@6.79 6.79 CL(76:7) LipidMaps Bulk ID CL 76:8; [M-2H](2-)@6.86 6.86 CL(76:8) LipidMaps Bulk ID CL 78:11; [M-2H](2-)@6.17 6.17 CL 78:11 LipidBLAST CL 78:3; [M-2H](2-)@7.08 7.57 CL 78:3 LipidBLAST CL 78:3; [M-2H](2-)@7.57 7.57 CL 78:3 LipidBLAST CL 78:4; [M-2H](2-)@7.08 7.08 CL(78:4) LipidMaps Bulk ID CL 78:5; [M-2H](2-)@7.31 7.31 CL(78:5) LipidMaps Bulk ID CL 78:7; [M-2H](2-)@6.71 6.71 CL 78:7 LipidBLAST CL 82:15; [M-2H](2-)@6.04 6.04 CL 82:15 LipidBLAST CL 82:9; [M-2H](2-)@6.39 6.39 CL 82:9 LipidBLAST CL 86:15; [M-2H](2-)@6.55 6.55 CL 86:15 LipidBLAST CerP 21:0; [M-H]-@2.12 2.12 CerP 21:0 LipidBLAST PA 34:0; [M-H]-@7.68 7.68 PA(34:0) LipidMaps Bulk ID PA 36:1; [M-H]-@6.81 6.81 PA(36:1) LipidMaps Bulk ID PA 38:3; [M-H]-@7.02 7.02 PA(38:3) LipidMaps Bulk ID PA 40:4; [M-H]-@6.87 6.87 PA(40:4) LipidMaps Bulk ID PA 41:4; [M-H]-@6.57 6.57 PA(41:4) LipidMaps Bulk ID PC 19:2; [M-Ac-H]-@1.43 1.43 PC 19:2 LipidBLAST PC 26:0; [M-Ac-H]-@4.59 4.59 PC(26:0) LipidMaps Bulk ID PC 28:0; [M-Ac-H]-@5.36 5.36 PC(28:0) LipidMaps Bulk ID PC 28:1; [M-Ac-H]-@4.81 4.81 PC(28:1) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@6.06 6.06 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.52 5.52 PC(30:1) LipidMaps Bulk ID PC 30:2; [M-Ac-H]-@5.00 5 PC(30:2) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.32 6.32 PC(31:0) LipidMaps Bulk ID PC 31:1; [M-Ac-H]-@5.86 6.55 PC(31:1) LipidMaps Bulk ID PC 31:1; [M-Ac-H]-@6.55 6.55 PC(31:1) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@6.69 6.69 PC(32:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.18 6.18 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.70 5.7 PC(32:2) LipidMaps Bulk ID PC 32:3; [M-Ac-H]-@5.26 5.26 PC(32:3) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@7.07 7.07 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.64 6.64 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.07 6.07 PC(33:2) LipidMaps Bulk ID PC 33:3; [M-Ac-H]-@5.84 5.84 PC(33:3) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.75 6.75 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@4.49 6.31 PC(34:2) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.31 6.31 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.88 5.88 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.63 5.63 PC(34:4) LipidMaps Bulk ID PC 34:5; [M-Ac-H]-@5.24 5.24 PC(34:5) LipidMaps Bulk ID PC 35:0; [M-Ac-H]-@7.12 7.12 PC(35:0) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.17 7.17 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.69 6.69 PC(35:2) LipidMaps Bulk ID PC 35:3; [M-Ac-H]-@6.24 6.24 PC(35:3) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@6.05 6.05 PC(35:4) LipidMaps Bulk ID PC 35:5; [M-Ac-H]-@5.60 5.6 PC(35:5) LipidMaps Bulk ID PC 36:0; [M-Ac-H]-@7.88 7.88 PC(36:0) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.38 7.38 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@6.94 6.94 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.49 6.49 PC(36:3) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@7.52 7.52 PC(36:4) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.16 7.52 PC(36:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.76 5.76 PC(36:5) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.52 5.52 PC(36:6) LipidMaps Bulk ID PC 37:1; [M-Ac-H]-@7.67 7.67 PC(37:1) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.32 7.32 PC(37:2) LipidMaps Bulk ID PC 37:3; [M-Ac-H]-@6.95 6.95 PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.72 6.72 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.15 6.15 PC(37:5) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.93 5.93 PC(37:6) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.90 7.9 PC(38:1) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.55 7.55 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.18 7.18 PC(38:3) LipidMaps Bulk ID PC 38:4; [M-Ac-H]-@6.83 6.83 PC(38:4) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.47 6.47 PC(38:5) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@6.12 6.12 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.63 5.63 PC(38:7) LipidMaps Bulk ID PC 39:3; [M-Ac-H]-@7.46 7.46 PC(39:3) LipidMaps Bulk ID PC 39:4; [M-Ac-H]-@7.31 7.31 PC(39:4) LipidMaps Bulk ID PC 39:5; [M-Ac-H]-@6.71 6.71 PC(39:5) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.61 6.61 PC(39:6) LipidMaps Bulk ID PC 40:1; [M-Ac-H]-@8.45 8.45 PC(40:1) LipidMaps Bulk ID PC 40:2; [M-Ac-H]-@8.20 8.2 PC(40:2) LipidMaps Bulk ID PC 40:3; [M-Ac-H]-@7.67 7.67 PC(40:3) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.41 7.41 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.13 7.13 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.78 6.78 PC(40:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.31 6.31 PC(40:7) LipidMaps Bulk ID PC 40:8; [M-Ac-H]-@5.88 5.88 PC(40:8) LipidMaps Bulk ID PC 40:9; [M-Ac-H]-@5.54 5.54 PC(40:9) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.81 5.81 PC(42:10) LipidMaps Bulk ID PC 42:2; [M-Ac-H]-@8.73 8.73 PC(42:2) LipidMaps Bulk ID PC 42:3; [M-Ac-H]-@8.17 8.17 PC(42:3) LipidMaps Bulk ID PC 42:4; [M-Ac-H]-@7.99 7.99 PC(42:4) LipidMaps Bulk ID PC 42:5; [M-Ac-H]-@7.55 7.55 PC(42:5) LipidMaps Bulk ID PC 44:12; [M-Ac-H]-@5.69 5.69 24779134 LMGP01011119 LipidMaps PC 44:3; [M-Ac-H]-@8.67 8.67 PC(44:3) LipidMaps Bulk ID PE 32:0; [M-H]-@6.81 6.81 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.32 6.32 PE(32:1) LipidMaps Bulk ID PE 33:1; [M-H]-@6.63 6.63 PE(33:1) LipidMaps Bulk ID PE 33:2; [M-H]-@6.16 6.16 PE(33:2) LipidMaps Bulk ID PE 34:1; [M-H]-@6.92 6.92 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.47 6.47 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.11 6.11 PE(34:3) LipidMaps Bulk ID PE 35:0; [M-H]-@7.65 7.65 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.17 7.17 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.79 6.79 PE(35:2) LipidMaps Bulk ID PE 35:4; [M-H]-@6.14 6.14 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.93 7.93 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@6.78 7.5 PE(36:1) LipidMaps Bulk ID PE 36:1; [M-H]-@7.50 7.5 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@6.35 7.05 PE(36:2) LipidMaps Bulk ID PE 36:2; [M-H]-@7.05 7.05 PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@6.60 6.6 PE(36:3) LipidMaps Bulk ID PE 36:4; [M-H]-@6.30 6.3 PE(36:4) LipidMaps Bulk ID PE 36:5; [M-H]-@6.10 6.1 PE(36:5) LipidMaps Bulk ID PE 36:6; [M-H]-@5.66 5.66 PE(36:6) LipidMaps Bulk ID PE 37:3; [M-H]-@6.97 6.97 PE(37:3) LipidMaps Bulk ID PE 37:4; [M-H]-@6.72 6.72 PE(37:4) LipidMaps Bulk ID PE 38:1; [M-H]-@7.41 7.41 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@7.59 7.59 PE(38:2) LipidMaps Bulk ID PE 38:2; [M-H]-@6.99 7.59 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.30 7.3 PE(38:3) LipidMaps Bulk ID PE 38:4; [M-H]-@6.99 6.99 PE(38:4) LipidMaps Bulk ID PE 38:5; [M-H]-@6.59 6.59 PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@6.23 6.23 PE(38:6) LipidMaps Bulk ID PE 39:4; [M-H]-@7.73 7.73 PE(39:4) LipidMaps Bulk ID PE 39:5; [M-H]-@6.86 6.86 PE(39:5) LipidMaps Bulk ID PE 39:6; [M-H]-@6.61 6.61 PE(39:6) LipidMaps Bulk ID PE 40:4; [M-H]-@7.49 7.49 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.17 7.17 PE(40:5) LipidMaps Bulk ID PE 40:6; [M-H]-@6.97 6.97 PE(40:6) LipidMaps Bulk ID PE 40:7; [M-H]-@6.48 6.48 PE(40:7) LipidMaps Bulk ID PE 40:8; [M-H]-@6.06 6.06 PE(40:8) LipidMaps Bulk ID PG 33:0; [M-H]-@6.13 6.13 PG(33:0) LipidMaps Bulk ID PG 33:1; [M-H]-@6.58 6.58 PG(33:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.52 5.52 PG(34:2) LipidMaps Bulk ID PG 35:3; [M-H]-@6.36 6.36 PG(35:3) LipidMaps Bulk ID PG 36:0; [M-H]-@6.94 6.94 PG(36:0) LipidMaps Bulk ID PG 36:1; [M-H]-@6.50 6.5 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@6.15 6.15 PG(36:2) LipidMaps Bulk ID PG 38:4; [M-H]-@6.13 6.13 PG(38:4) LipidMaps Bulk ID PI 34:1; [M-H]-@5.75 5.75 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.33 5.33 PI(34:2) LipidMaps Bulk ID PI 36:1; [M-H]-@6.38 6.38 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.95 5.95 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.45 5.45 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.31 5.31 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.15 6.15 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.95 5.95 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.44 5.44 PI(38:5) LipidMaps Bulk ID PI 38:6; [M-H]-@5.19 5.19 PI(38:6) LipidMaps Bulk ID PI 40:5; [M-H]-@6.20 6.2 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.87 5.87 PI(40:6) LipidMaps Bulk ID PS 36:1; [M-H]-@6.46 6.46 PS(36:1) LipidMaps Bulk ID PS 38:4; [M-H]-@6.06 6.06 PS(38:4) LipidMaps Bulk ID PS 38:5; [M-H]-@5.53 5.53 PS(38:5) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.76 1.76 LPE(16:0) LipidMaps Bulk ID lysoPE 16:1; [M-H]-@1.33 1.33 LPE(16:1) LipidMaps Bulk ID lysoPE 18:0; [M-H]-@2.56 2.56 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.93 1.93 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M-H]-@1.45 1.45 LPE(18:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.70 1.7 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.42 1.42 LPE(20:4) LipidMaps Bulk ID lysoPE 20:5; [M-H]-@1.13 1.13 LPE(20:5) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.96 1.96 LPE(22:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.64 1.64 LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.36 1.36 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.24 7.24 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.79 6.79 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.46 6.46 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.80 7.8 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.38 7.38 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.97 6.97 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:4; [M-H]-@6.72 6.72 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.37 6.37 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.31 8.31 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.95 7.95 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.60 7.6 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.30 7.3 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.84 6.84 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M-H]-@6.64 6.64 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@8.13 8.13 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.82 7.82 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.39 7.62 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.62 7.62 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.21 7.21 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:4; [M-H]-@8.27 8.27 PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.94 7.94 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.82 7.82 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END