#METABOLOMICS WORKBENCH araskind_20170605_120704 DATATRACK_ID:940 STUDY_ID:ST000665 ANALYSIS_ID:AN001016 PROJECT_ID:PR000468 VERSION 1 CREATED_ON June 29, 2017, 9:06 pm #PROJECT PR:PROJECT_TITLE Nonalcoholic fatty liver disease (NAFLD) Studies PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Determine the genetic mechanism of action by which variants near PNPLA3 and PR:PROJECT_SUMMARY LYPLAL1 exert their effects on promoting NAFLD PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine PR:LABORATORY Speliotes Lab PR:LAST_NAME Speliotes PR:FIRST_NAME Elizabeth PR:ADDRESS Ann Arbor, MI PR:EMAIL espeliot@umich.edu PR:PHONE 734-647-2964 #STUDY ST:STUDY_TITLE Nonalcoholic fatty liver disease (NAFLD) Studies ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Determine the genetic mechanism of action by which variants near PNPLA3 and ST:STUDY_SUMMARY LYPLAL1 exert their effects on promoting NAFLD 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 2 ST:TOTAL_SUBJECTS 2 #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 SU0004840 S00015860 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015861 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015862 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015863 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015864 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015865 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015866 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004840 S00015867 Cell line:HepG2 SUBJECT_SAMPLE_FACTORS SU0004841 S00015868 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015869 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015870 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015871 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015872 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015873 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015874 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015875 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015876 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015877 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015878 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015879 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015880 Cell line:HuH-7 SUBJECT_SAMPLE_FACTORS SU0004841 S00015881 Cell line:HuH-7 #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.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 S00015860 S00015861 S00015862 S00015863 S00015864 S00015865 S00015866 S00015867 S00015868 S00015869 S00015870 S00015871 S00015872 S00015873 S00015874 S00015875 S00015876 S00015877 S00015878 S00015879 S00015880 S00015881 Factors Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HepG2 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 Cell line:HuH-7 CL 64:1; [M-2H](2-)@6.70 .56985519 .500904715 .557992426 .612029905 .61750844 .655371278 .606608474 .562669689 .644501266 .682641088 .527523951 .530061828 .567906351 .579987833 .715262098 .666202614 .641015457 .513361707 .647176867 .609205333 .500473725 .653630432 CL 64:4; [M-2H](2-)@8.62 .56540123 .616980592 .674587514 .65281568 .61667799 .640279778 .482807102 .641156717 .571405624 .506522271 .543602985 .571962906 .514132928 .61706736 .560834605 .518573448 .536599063 .53425986 .579692852 .563300424 .474430489 .597161113 CL 66:1; [M-2H](2-)@5.63 .74120444 .770538111 .745997735 .776194843 .766599753 .745561126 .773721102 .751095541 .80364965 .532297121 .778638113 .708201781 .527301361 .751321086 .628363041 .7555507 .773318555 .51520619 .828671704 .691155082 .606777917 .671889238 CL 66:3; [M-2H](2-)@6.07 .900942356 .949127187 .920574812 .873878426 .86409337 .893646202 .827156868 .838171986 .896518088 .890235106 .896103516 .807841422 .916326225 .862615256 .876172811 .88331707 .937045786 .639381072 .953297567 .864432297 .672198579 .879055215 CL 66:4; [M-2H](2-)@8.94 .718584421 .748101873 .809696763 .806323453 .721997735 .787433639 .771764854 .729687057 .710779181 .73742775 .645223042 .744605557 .722613758 .758159483 .73381646 .71751309 .655206365 .631467339 .695606861 .716459459 .582714153 .671054116 CL 66:5; [M-2H](2-)@5.61 .707152739 .764972101 .737726504 .717072961 .655105937 .729538419 .763029372 .787029129 .728420937 .820379966 .769799556 .622603222 .794528863 .811564009 .636879721 .762808286 .737654691 .417897156 .756170992 .646683818 .534962901 .676286905 CL 68:1; [M-2H](2-)@7.40 .671530478 .698682557 .620234759 .721396296 .731627893 .741048158 .73892508 .696182822 .787540591 .745763032 .677428014 .698260049 .697750363 .766962028 .802208449 .819034167 .820231483 .707102341 .703555144 .697486663 .788905107 .7053173 CL 68:2; [M-2H](2-)@9.60 .731770312 .651405668 .709477596 .768374788 .750475603 .704851148 .716093311 .729588563 .720072467 .733717509 .717550867 .654346675 .692108029 .685570526 .880112407 .699008188 .701550022 .71360952 .720424079 .617337171 .84859002 .744187475 CL 68:3; [M-2H](2-)@9.40 .740636614 .653282643 .783264322 .78050384 .737566353 .721490879 .757179115 .77441081 .740764146 .774043259 .717217892 .743159821 .736728169 .700794766 .852972855 .711192724 .75682778 .690591784 .733975177 .732042106 .620519437 .728069591 CL 68:4; [M-2H](2-)@9.19 .78729706 .806554238 .797676625 .794247606 .745416436 .776862858 .822150062 .798242395 .790087915 .849243774 .720012323 .790544403 .786081359 .839909919 .800767324 .810994568 .780911893 .728359173 .769595491 .75287199 .688331679 .732879453 CL 68:5; [M-2H](2-)@9.00 .746027846 .723633329 .803738895 .774009202 .730024237 .772258095 .772803375 .757455519 .697318449 .750447229 .759840904 .712225861 .792080048 .697861369 .772205472 .663620304 .679425893 .638362747 .740709746 .768643312 .692860286 .702474853 CL 70:0; [M-2H](2-)@6.46 .980388308 1.026536975 1.007237657 1.002319428 1.046873995 1.017620959 1.011982402 1.038276721 1.075095815 .992601856 1.023881926 .952755109 1.039803434 .945319038 1.027981529 1.018349019 1.043538018 .894447664 1.071622398 .984328153 .943673275 .988044341 CL 70:3; [M-2H](2-)@9.63 .739821822 .720939516 .766618007 .819133656 .695727666 .741895329 .771456423 .856712757 .782044454 .749570819 .796615174 .780126119 .771874465 .812122914 .935828879 .775180924 .818002433 .742718312 .808874064 .762740386 .835175848 .730466735 CL 70:3; [M-2H](2-)@5.95 1.01633319 1.100681338 1.073775665 1.052596649 1.059339032 .508122104 1.004437554 .86631158 1.099159521 .874810701 1.040469236 .852151225 .947069358 .868337804 .850762694 1.062635336 .911642885 .849743444 1.068463817 1.015065255 .887686753 .965586496 CL 70:4; [M-2H](2-)@9.44 .784114905 .782198741 .801725263 .783210984 .745000737 .839570936 .831076582 .823569899 .797270591 .794216788 .814500404 .845028485 .826128644 .803151643 .885470817 .792153187 .815450041 .814398571 .787839678 .788429548 .738337289 .800628605 CL 70:5; [M-2H](2-)@9.24 .762333182 .754820896 .73627751 .75761901 .786590947 .776599485 .788433069 .782107818 .707570071 .806478625 .791858395 .720978668 .835003029 .690381044 .752441603 .693737079 .697889864 .719794086 .76078109 .685662719 .650247075 .707341587 CL 72:1; [M-2H](2-)@7.93 .874946725 .781167963 .837252383 .310318721 .949797534 .892396949 .939899298 .894770411 .896389053 .876950184 .756426563 .930879679 .900092678 .915595684 1.002209656 .930451903 .933656356 .98373212 .898191465 .906826216 .957342439 .929968751 CL 72:1; [M-2H](2-)@7.30 .903628796 .970769418 .878738498 .863049836 1.031615672 1.011369316 .955441354 .973149585 1.000162917 .886950305 .959888975 .857555961 .977941435 .901226573 .932394034 .852529917 .973969074 .719662742 .970391024 .923184552 .784347481 .922428576 CL 72:3; [M-2H](2-)@7.61 .695680206 .619368701 .603522377 .577179702 .754194648 .709909659 .712084865 .678643658 .772218762 .764680796 .678530125 .634909232 .643669072 .723825989 .785382913 .747281756 .753083434 .746818037 .709546867 .762879453 .80173224 .70077235 CL 72:4; [M-2H](2-)@9.65 .713409663 .702733374 .680660382 .428759727 .725539082 .755587051 .731606932 .727303532 .796264133 .758896364 .730288859 .766952385 .751090578 .767506396 .880987139 .702160894 .796682058 .804021147 .744685023 .734631357 .811925094 .754955711 CL 72:5; [M-2H](2-)@9.49 .643545633 .723455196 .678776451 .6757384 .711910874 .738145193 .746460518 .708050445 .698426639 .791862887 .741951501 .747686801 .813468365 .726879908 .744029186 .735294735 .774372 .63016356 .700108699 .6896543 .753760397 .701681411 CL 72:5; [M-2H](2-)@6.47 .905271068 .926246834 .911066883 .794640712 .834362419 .863905983 .935191813 .81624632 .924733247 .812437033 .845277287 .850062667 .874297286 .831955775 .740189113 .773741691 .881025611 .59263907 .923962831 .893063034 .610643251 .802545332 CL 72:8; [M-2H](2-)@5.88 .691316608 .667501231 .621910241 .617987745 .593581404 .607516491 .660459866 .676530779 .59312253 .600805664 .615243562 .63999157 .65703553 .632181377 .518678636 .506565418 .61838793 .386598205 .64864474 .563256592 .581799145 .656381638 CL 74:11; [M-2H](2-)@5.74 .791114057 .793685191 .826606503 .796782648 .754215153 .778176772 .796474151 .817207945 .870943369 .756904939 .823291224 .757396945 .8083529 .792372763 .747748311 .788376998 .823631191 .631156018 .842354404 .743410254 .540668485 .72780097 CL 74:2; [M-2H](2-)@6.77 1.078601082 1.115188571 1.043359734 1.04306981 1.125479578 1.134358448 1.127309081 1.139326175 1.124009194 1.053232574 1.13288844 1.029256065 1.116350524 1.02785895 1.086771133 1.0267736 1.147649575 .997793826 1.137613524 1.103984341 1.078470231 1.042790184 CL 74:4; [M-2H](2-)@6.44 1.102698663 1.126006187 1.073322272 1.0468999 1.076091794 1.08942804 1.04048415 1.120888882 1.097658808 1.070064311 1.061764794 1.054285361 1.105820318 1.066397248 1.051411287 1.00988154 1.099640797 .886525278 1.105348788 1.053670515 .886062743 1.051126049 CL 74:7; [M-2H](2-)@6.20 1.025635073 1.130188903 1.034110845 1.008949754 1.067402661 1.031833595 1.03091673 1.026635881 1.080075738 1.071778231 1.083975592 1.05599685 1.170952347 1.003563276 1.009174172 1.054960711 1.172502469 .844242029 1.108382886 1.001588443 .922540852 1.046914992 CL 76:10; [M-2H](2-)@9.56 .539144366 .442536343 .61970243 .662456611 .669214791 .55959474 .583193587 .622303651 .589613455 .591642345 .514361985 .586089556 .69087934 .639573983 .669138338 .739376046 .475924612 .550110307 .591048552 .592655556 .663294562 .567244863 CL 76:11; [M-2H](2-)@5.46 .680650075 .657978644 .692844991 .630939535 .652790659 .616524072 .577858014 .608136858 .491766208 .516595548 .635469352 .774562678 .545954142 .615302677 .461039044 .576811977 .552254514 .536455973 .641800095 .542646183 .51908513 .478049254 CL 76:12; [M-2H](2-)@9.21 .678282324 .764031671 .83250332 .703595997 .641468708 .721068441 .71332157 .692016591 .657112753 .699680771 .61963636 .704993993 .830762883 .790597538 .757591639 .806656394 .661068876 .637088351 .703246826 .786832894 .588764412 .666645038 CL 76:3; [M-2H](2-)@7.32 .897305224 .934425105 .866480116 .807296333 .968564092 .995865379 .931781374 .954335065 .938257672 .828532183 .889815222 .850197697 .951873325 .873772258 .83592139 .835430607 .899514592 .688200992 .909418717 .883762684 .723747177 .83998545 CL 76:4; [M-2H](2-)@6.69 .955775088 .985853209 .906707291 .829261929 .963862069 .977389449 .988536731 .940170103 .912845004 .888235559 .979085437 .870698207 1.00721726 .926081744 .86474605 .864548534 .969362381 .718189494 .960664256 .923547917 .683608253 .870367915 CL 76:5; [M-2H](2-)@6.93 1.20825214 1.306448244 1.154731389 1.095880481 1.199805271 1.243389669 1.246354398 1.196404582 1.170179792 1.143252077 1.241196843 1.207499586 1.287337749 1.120672341 1.126655748 1.069696287 1.142092524 .936766096 1.207421249 1.176251818 .987711211 1.16401954 CL 76:7; [M-2H](2-)@6.36 .983074123 1.011193277 1.004311484 .953089965 1.06340934 1.122923209 1.012661809 1.006962975 1.021274882 1.05161341 1.007896651 1.017928207 1.038247914 .958132942 1.026258838 .982343153 1.02284251 .794633878 .997787895 1.03066968 .867333594 .997068606 CL 78:0; [M-2H](2-)@7.53 .872648043 .869619213 .837807257 .682558935 .938653139 .91330789 .930044458 .919382937 .749116159 .683054529 .816369981 .804543477 .892571907 .740307934 .810941735 .693264366 .904528146 .666459261 .90362928 .805210421 .708496331 .780305255 CL 78:1; [M-2H](2-)@7.51 .832204598 .846517247 .900745951 .87176066 1.005809733 .945091598 .992798633 .973347437 .876874951 .904523808 .957649668 .83777329 .961175113 .823873872 .866061004 .854498861 .974646391 .71994516 .903751359 .846986903 .81493844 .778735576 CL 78:12; [M-2H](2-)@9.44 .655750644 .648182717 .675041677 .661260787 .648298333 .711216724 .700866354 .615726842 .645551431 .622975938 .680030668 .728311133 .70295527 .693444652 .767729195 .664085457 .651988344 .729805519 .688240589 .701323428 .601641137 .687813994 CL 78:13; [M-2H](2-)@5.74 .834606877 .877189773 .925215801 .809720343 .904237784 .89033539 .860366693 .925797274 .883486266 .836377094 .887871285 .805718886 .921434814 .86258425 .868687261 .974270758 .897529147 .677742731 .892611521 .899054357 .650115516 .855565903 CL 78:2; [M-2H](2-)@7.32 .992456052 1.007423196 .91755172 .891537224 1.016235863 1.051865437 1.025671663 1.001747495 .972533488 .902613416 .991571986 .930116213 1.000374886 .924779561 .944767148 .966098168 .998864001 .793221816 1.02585998 .918891493 .826847212 .894321329 CL 78:3; [M-2H](2-)@7.10 1.075075676 1.076810076 1.014839184 1.004773322 1.050344755 1.129528842 1.096371625 1.097019137 1.046534117 1.001228186 1.081030684 1.025510097 1.089427059 .997380413 1.035223363 1.017023806 1.084875275 .884020613 1.078026674 1.024223509 .913741958 .96493808 CL 78:4; [M-2H](2-)@6.97 1.143720306 1.198598491 1.077890901 1.082204858 1.170730696 1.174596225 1.14219608 1.149387102 1.157806649 1.089623962 1.182723491 1.16020008 1.178793831 1.10086293 1.134182613 1.121859244 1.189141666 .905225847 1.16873428 1.097558612 .942898507 1.11679252 CL 78:5; [M-2H](2-)@6.60 1.056057389 1.041436039 1.036994986 1.053652076 1.070905017 1.096331498 1.11286794 1.066345813 .468043455 1.019918996 1.108259303 1.043308868 1.066414154 1.009569237 1.042024226 1.038851305 1.094944081 .95021724 1.064701201 1.039507665 1.032992083 1.004189605 CL 78:6; [M-2H](2-)@6.60 1.160569091 1.239474255 1.121524511 1.13689185 1.158604225 1.192957854 1.184569351 1.194722043 1.252597313 1.156394763 1.1933931 1.167846135 1.229718643 1.143114648 1.178654315 1.143746275 1.226009656 1.042371802 1.223496282 1.128351241 1.099431282 1.11488611 CL 78:8; [M-2H](2-)@6.37 1.101474234 1.072553645 1.178346974 1.13605499 1.159489229 1.199557113 1.106046991 1.154220313 1.195252453 1.165988079 1.089810987 1.059006681 1.16021098 1.155017901 1.141900803 1.095169468 1.191030229 1.003180391 1.107821473 1.180223757 1.102033377 1.099143432 CL 80:11; [M-2H](2-)@6.47 .841603048 .828653257 .799801506 .745743549 .85897415 .907893696 .85968902 .882598829 .942264864 .788822727 .850075551 .792897643 .936913448 .79510365 .855038569 .804743459 .853052371 .704592215 .820920607 .819564819 .604231373 .781331752 CL 80:12; [M-2H](2-)@5.61 .789245197 .957410331 .748848986 .763820924 .722481616 .659049242 .713957659 .711450818 .888000846 .598462844 .914215472 .793811189 .843402014 .627567383 .574937567 .946299272 1.016832139 .572852751 .977251462 .475849721 .38243737 .800253209 CL 80:12; [M-2H](2-)@9.65 .604548702 .584786909 .567537364 .528439073 .630622421 .635288758 .579005288 .679589232 .620580414 .5286406 .641991094 .61964463 .651686383 .60838214 .738935364 .733234242 .688593602 .703734556 .711653847 .527054837 .640139681 .695512061 CL 80:7; [M-2H](2-)@7.03 .888042443 .951001228 .925661198 .788568138 .935862091 .980392546 1.004644448 .952631594 .908075589 .869422831 .942687189 .848857351 .991218137 .908735666 .894503284 .93061562 .915580155 .744507587 .933903541 .977158906 .715166494 .847380389 CL 80:9; [M-2H](2-)@6.87 .877537408 .865843704 .866502378 .849617473 .95852951 .93331565 .919111093 .92390672 .932568888 .806227051 .952658468 .860134622 .917622797 .829804538 .87456144 .899891252 .90861134 .728261748 .873269798 .894812523 .78717133 .855196483 CL 82:15; [M-2H](2-)@6.13 .925792733 .944976756 .879691219 .857729278 .977027025 .95101319 .951236628 .972690313 1.045452264 .961819068 1.025699276 .985710799 .970785706 .908558126 1.001362716 .960438132 1.04440539 .757252129 .952621419 .903688152 .831144838 .9530017 CL 82:7; [M-2H](2-)@5.61 .659054874 .602450333 .606332056 .600693364 .631314412 .710746764 .570031269 .67910817 .707450294 .586849551 .639005103 .575783362 .682777078 .594143872 .535495003 .620824168 .634068926 .438832943 .491317146 .623183124 .659197297 .465788546 CL 84:13; [M-2H](2-)@6.79 .711959166 .792601785 .709130697 .694842277 .774027557 .817736024 .732387234 .766210195 .735165085 .715799095 .767501684 .718654414 .73632962 .657647411 .747306593 .758558133 .777667038 .559372061 .802087834 .684509042 .489571891 .665699807 PA 31:0; [M-H]-@5.43 .649804463 .499698856 .740011297 .74300139 .748244113 .722290303 .716429558 .676155042 .659002943 .667555598 .654120694 .696453326 .631778018 .710499943 .679102183 .630395982 .627531175 .544325066 .613237525 .654532742 .641852107 .764792471 PA 31:1; [M-H]-@4.91 .60885317 .538463726 .641257088 .694368305 .621454894 .643277999 .666749698 .433061694 .563646481 .578846579 .630862806 .61593531 .615524599 .563188108 .670221492 .640902552 .585826889 .446433264 .68302869 .599027608 .536335223 .678277674 PA 33:0; [M-H]-@6.07 .702497852 .754089017 .795866197 .788713005 .850930024 .739030864 .838493701 .795710028 .764491983 .703230894 .709767418 .80457679 .697389598 .791529195 .727063369 .708967777 .719463798 .610982999 .825170439 .746946973 .047742317 .89430611 PA 33:1; [M-H]-@5.56 .81264575 .672564363 .940249552 .927428166 .981410909 .947677407 .829435643 .961732946 .712231942 .76445203 .78120575 .800470954 .774955268 .877240831 .780039337 .861102462 .78944165 .644287422 .785907339 .878928171 .574187165 1.030171463 PA 34:0; [M-H]-@6.21 .719886796 .723021885 .65836158 .705532905 .778661373 .727028605 .74195276 .719391962 .715579185 .669746502 .704772367 .688594206 .709911634 .737839481 .707752842 .698942827 .686225024 .58950097 .71502775 .715678604 .575957836 .748124743 PA 34:1; [M-H]-@5.75 .842304155 .643491501 .809806205 .832935908 .938523278 .850620744 .831793102 .865975987 .677576264 .726317223 .796769099 .905293415 .6540022 .82490606 .683482091 .81492945 .686795248 .640034107 .706038666 .813350305 .659445272 .913987082 PA 35:1; [M-H]-@6.11 .911625044 .800717431 .989859386 1.006653711 .992285183 .956902089 1.007921653 .919313124 .904915009 .91885307 .902028478 .919642445 .884864826 .934350259 .952497547 .923028876 .885770691 .757514929 .905014914 1.001823561 .702508033 1.04072529 PA 35:2; [M-H]-@5.68 .7954474 .70707953 .919450682 .924548731 .850675368 .848643924 .879556705 .849497773 .779934624 .812575128 .74252487 .795903009 .78276236 .845412367 .810762373 .818591935 .746850581 .637373327 .782223248 .849603022 .588876637 .862525512 PA 35:3; [M-H]-@5.30 .677646979 .583796888 .757086291 .779642317 .688932019 .709660194 .710238579 .706307433 .570604527 .684598556 .683474261 .66212013 .591454037 .726696675 .630283835 .714459174 .619496266 .552543848 .671471467 .718811236 .641568065 .706224013 PA 36:1; [M-H]-@6.33 .873648612 .796100869 .850479297 .862622671 .905796509 .871732342 .876608453 .883024938 .843735368 .83925379 .799526417 .880498858 .814954614 .884974059 .721519487 .823838979 .806301686 .759871299 .844969824 .856660808 .675797651 .846996525 PA 37:1; [M-H]-@6.73 .917635685 .941124795 .944848996 .920012917 .953913736 .982567751 .928332478 1.103600237 1.056966594 .854955479 1.049901899 .832639457 .918155697 .911310303 .860900227 .882366432 .967251841 .763935585 1.001729494 .919861101 .767452662 .875626642 PA 37:2; [M-H]-@5.99 .944192958 .953893806 .945683014 .956436804 .980594407 .939563698 .961554252 1.087033492 1.00345741 .934494295 1.045158143 .943770023 .895156054 1.042038653 1.014872243 .833765463 .980748037 .796219596 .982043557 .942154321 .672730866 .979699613 PA 37:3; [M-H]-@5.74 .764170745 .733286878 .831304993 .796876355 .880683953 .82235827 .892173676 .848082467 .724152385 .760712001 .74180096 .925814187 .688001976 .853006076 .764482502 .790745449 .794250832 .610204774 .735218635 .815813053 .484436011 .906286041 PA 38:1; [M-H]-@6.76 .813292849 .811344404 .839752976 .799715134 .915180627 .898688578 .863045554 .871593537 .860603001 .783206474 .974376414 .862101672 .830772849 .911874246 .747276754 .747618546 .844909892 .62245611 .887563723 .870343335 .596492988 .772560692 PA 40:3; [M-H]-@7.35 .858789272 .765285144 .691693895 .715494688 .776674352 .764821019 .807213451 .768728902 .576357868 .611018143 .872697484 .795839402 .736086046 .672212533 .601213926 .556938174 .680257483 .604296879 .728402073 .517662165 .619704427 .654176666 PA 41:2; [M-H]-@7.19 1.041659299 1.049659658 .985167554 .979294684 1.013258237 1.038395084 1.081833738 1.043122697 1.023841592 .959338845 1.032470965 1.039066224 1.050408986 1.013872329 1.039091591 .967173124 1.011838899 .839961884 1.083768883 .994982246 .836157118 .924949697 PA 41:3; [M-H]-@6.54 1.125301276 1.146158957 .893815109 .655011492 .773576873 1.165017188 .726619166 .678372276 .792905074 .67619349 1.067776567 .729818342 .81358404 1.076109342 .767335634 .63410565 .78530442 .862144457 .831649471 .997084002 .831557139 .689280701 PA 41:4; [M-H]-@6.59 .97795851 1.014458617 1.006947437 .998561316 1.013905656 1.065738288 1.073576464 1.063356177 1.056982075 .971759926 1.05945216 1.008574442 1.04358265 1.010605149 1.057703089 1.020524373 1.055371455 .879517595 1.118496027 1.013604493 .960397065 .929464002 PA 43:6; [M-H]-@6.50 .954888974 .968027612 .957002524 .91767958 .985349996 1.003930248 1.018898313 1.00356807 1.013356377 .941532018 .963119705 .921709104 1.017685912 .939160072 .990397887 .947490589 .975593065 .871592849 1.01575745 .967245515 .890258405 .904031047 PC 26:0; [M-Ac-H]-@4.64 .553616817 .652325126 .599446675 .601083833 .621359203 .647354788 .417014081 .651238445 .680573074 .481038424 .685366065 .512361445 .651177094 .702313312 .732089137 .563618454 .777421865 .49739028 .636515897 .544457226 .466785073 .540720248 PC 28:0; [M-Ac-H]-@5.44 .835774548 .89362524 .895609818 .856136259 .805983216 .827869597 .827550935 .861352688 .907946492 .810237589 .858907614 .806830471 .921473761 .823724507 .877890496 .868956054 .938260587 .700362785 .932160024 .723243013 .646031278 .788345382 PC 28:1; [M-Ac-H]-@4.92 .739658461 .804979316 .762870466 .733218927 .73155624 .724289953 .722732664 .619946393 .739292163 .685251625 .798115782 .591288322 .812615488 .712275501 .782913954 .745796854 .784165929 .619931074 .847797316 .670166315 .616398451 .672930746 PC 29:0; [M-Ac-H]-@5.68 .839967544 .85391218 .781776429 .819847184 .921411339 .855032023 .909674422 .862772316 .841221317 .795934941 .837461164 .830721761 .868051598 .823545722 .821369271 .793048391 .851962003 .732597695 .871768056 .79527646 .727378237 .846676044 PC 29:1; [M-Ac-H]-@5.27 .886090296 .814280883 .753519892 .780020221 .865061839 .806934288 .834966643 .814146773 .770983338 .766380497 .731569845 .754093083 .765757143 .737007723 .821920565 .626250351 .469296853 .512507366 .777693686 .479990029 .648793448 .753112845 PC 30:0; [M-Ac-H]-@6.12 1.041426841 1.013465262 .992155514 1.009391851 1.061583847 1.073677373 1.10742912 1.0782441 1.073634102 1.024231616 1.024862581 1.054365651 1.059288829 1.028292613 1.042484208 1.036377196 1.064143987 .937124638 1.101983251 .996752905 .977524717 .968028908 PC 30:1; [M-Ac-H]-@5.59 .98207697 .997945276 .974715202 .961358927 .949593599 .970428891 .94554119 .969131304 1.016208944 1.003058995 .991814777 .940596394 1.034224607 .940605291 .963959944 1.003683684 1.035438188 .839217251 1.011857642 .891474336 .819478593 .920177024 PC 30:2; [M-Ac-H]-@5.14 .793847512 .909973481 .429520903 .784751431 .882774404 .889439663 .832506164 .864738038 .824011823 .832391126 .873072625 .835143611 .746009431 .761828821 .878946074 .876956996 .863772547 .664929723 .89719362 .716962968 .709545305 .825839984 PC 31:0; [M-Ac-H]-@6.36 .932734901 .941826461 .886955758 .847673823 .962599086 .939929137 .951465051 .975624422 .975771584 .91148059 1.049358734 .893232599 .946807527 .914755726 1.012647592 .837493609 .986786165 .825182942 .946739728 .868331344 .756176011 .860260339 PC 31:1; [M-Ac-H]-@5.89 .980468165 1.010504872 .888832875 .903588246 .98435745 .992012063 .995759289 .94369871 .962450696 .94254393 .962742264 .918168189 .966197718 .924980762 .941669833 .911942186 1.015435794 .802191373 .983100045 .918148789 .742182576 .925893565 PC 31:2; [M-Ac-H]-@5.47 1.037328244 .981623426 .934035265 .945515945 1.079374736 .954882798 .979013194 1.006132622 .953200447 .894477675 .851042575 .903076161 .927729795 .839298695 1.009060252 .936252278 .953791829 .822776413 .86431933 .905524528 .862275674 .926320541 PC 32:0; [M-Ac-H]-@6.78 1.051698726 1.020654988 .942193765 .948004242 1.076944741 1.040205333 1.045734788 1.032592416 1.059317342 1.006479679 1.081439622 1.016453237 1.063657229 1.016128944 1.104872466 1.01540191 1.084949376 .959147219 1.064368096 .889255991 .958930976 1.020301 PC 32:0; [M-Ac-H]-@8.38 .796240354 .775844933 .763990106 .819781837 .733957283 .808534892 .804010985 .82516258 .680606163 .789903812 .761627296 .774425702 .778493939 .752229654 .691540933 .716336894 .735764637 .683311451 .826632223 .7653015 .788951848 .712992218 PC 32:1; [M-Ac-H]-@4.43 .623787952 .621691925 .624559991 .742621182 .680042859 .65389906 .595519115 .605262735 .672309564 .577699348 .567421466 .612181576 .639560087 .768191043 .719680017 .724912471 .584060465 .643089121 .624154258 .561582507 .593534152 .690579218 PC 32:1; [M-Ac-H]-@6.27 1.185472657 1.192209042 1.179599919 1.187867432 1.144793271 1.125957851 1.152979228 1.168743078 1.194079099 1.136623638 1.215161791 1.124615312 1.170099111 1.133301822 1.193552303 1.199709236 1.169843869 1.014937494 1.185184161 1.108108603 1.013043999 1.083431372 PC 32:2; [M-Ac-H]-@5.84 1.094111535 1.080139031 1.091189279 1.052060566 1.043155636 1.02791648 1.047538974 1.100722459 1.095289447 1.03345145 1.064476265 1.051918894 1.069727872 1.038916284 1.052147986 1.112318011 1.076302342 .918397225 1.061835871 1.011619114 .870153065 1.018597759 PC 32:3; [M-Ac-H]-@5.43 .894484666 .930756874 .906914318 .867480135 .872378733 .885816201 .894810169 .859612841 .90754922 .871627353 .905707481 .863271041 .921200094 .868417318 .921142584 .920695681 .953760163 .900032588 .901663445 .850308781 .961781779 .884441261 PC 33:0; [M-Ac-H]-@6.93 .984817123 1.019635793 .906706825 .866838551 1.026046837 .990939987 .959882231 1.035893176 1.025998214 .931573859 1.035277202 .901060061 .995143498 .957803152 .991915033 .850769917 .928353007 .887999747 .994513837 .915010816 .770337353 .925849158 PC 33:1; [M-Ac-H]-@6.55 1.053971622 1.049744691 1.034000441 .97495567 1.076994173 1.041836338 1.059616472 1.032694281 1.0523426 1.017907332 1.065199026 .983490937 1.045492565 1.019888073 1.013017619 1.011175645 1.0338675 .950732023 1.049849715 1.057944316 .874944024 .97801091 PC 33:2; [M-Ac-H]-@6.08 .993099838 .913031666 .88701808 .894682997 .928464558 .956157274 .934012426 .927828305 .906177334 .854153533 .962973378 .886258558 .959270928 .941537034 .89082236 .891972597 .932509413 .839857097 .892578888 .905307176 .784750611 .853189612 PC 33:2; [M-Ac-H]-@6.50 1.018359449 1.044783945 .905217081 .974802261 .949541364 .968951502 1.007670959 1.034032455 .899847095 .867089926 .985950632 .951162785 .963537942 .853907649 .964610054 .931792532 .942538792 .861218961 1.021379791 .923881416 .855025382 .872557624 PC 33:3; [M-Ac-H]-@5.67 1.058038299 1.146655046 .978020719 1.009232122 1.055992995 1.160484476 1.187831471 1.091588609 1.066576949 .945389439 1.019660643 .988753528 1.084565399 1.052529904 1.013820271 1.003925246 1.107502759 .933709521 1.067670416 .936722624 .86489391 .972461932 PC 33:4; [M-Ac-H]-@5.27 .795241679 .852205005 .785501596 .809760748 .894267383 .902018664 .961029365 .849835911 .785006739 .789148446 .910304203 .736752377 .891994064 .750853813 .813663633 .813309264 .826593288 .739137612 .835405308 .647291036 .780235398 .647928544 PC 34:1; [M-Ac-H]-@4.52 .673074503 .618627529 .633260592 .687655099 .671320451 .648755639 .580269504 .649562555 .689853915 .726651088 .617531035 .630962018 .710320583 .90596547 .67120419 .681005244 .730055634 .722527045 .663896373 .729622771 .738501262 .704259943 PC 34:2; [M-Ac-H]-@6.48 1.126468583 1.14293543 1.160913457 1.101228819 1.153813629 1.095349476 1.121787544 1.108287058 1.151047505 1.061023604 1.132117619 1.096931762 1.151103841 1.062964104 1.129884241 1.145859938 1.136693592 1.01679263 1.120145197 1.095367255 1.014883028 1.094169071 PC 34:2; [M-Ac-H]-@5.35 .609990609 .65084734 .644378219 .566248668 .579809999 .742651269 .667907626 .685742633 .673256147 .685126083 .66322187 .649650693 .659585812 .595033102 .614288315 .644098566 .511050565 .588032698 .610080835 .575482092 .650291429 .694395232 PC 34:2; [M-Ac-H]-@6.34 1.141672944 1.207824613 1.165700873 1.110775065 1.148580768 1.123226231 1.121052289 1.158866187 1.154372905 1.060448183 1.129148153 1.07785375 1.157472055 1.088247785 1.180491733 1.13979325 1.141170967 1.030516655 1.183740483 1.099884369 1.023680767 1.089206714 PC 34:3; [M-Ac-H]-@5.93 1.067414725 .982562942 .961158439 1.015340886 1.038750598 .988107844 .974348821 1.022933763 1.013977916 .947585679 1.089045431 1.024443311 1.030034321 1.013591544 .982704821 .994210505 1.0585386 .92214675 .939799803 .904155152 .921669033 1.004008837 PC 34:3; [M-Ac-H]-@6.15 .951685853 1.001856379 .958300241 1.04195491 .918937988 .981810457 .978232532 .947222212 1.010921498 .933450263 .967371829 .908322042 .958289057 .959127444 .986800208 .983963896 1.097075131 .8221678 .958253551 .901466465 .945827738 .888203446 PC 34:4; [M-Ac-H]-@5.67 .885667533 .910938368 .874274568 .902469403 .898845139 .891744789 .892406603 .870423039 .879971228 .896312571 .893186998 .848515539 .868342886 .855288942 .918057645 .881761591 .934112246 .5912424 .8483853 .844807498 .880088681 .835484063 PC 34:5; [M-Ac-H]-@5.29 .773831469 .799992908 .688214079 .809827452 .835762082 .832003844 .622835945 .734836752 .739146755 .569434893 .8227026 .40383698 .726421289 .719106402 .551235522 .402695908 .680750165 .643408695 .763112407 .5737195 .71686748 .431066186 PC 35:0; [M-Ac-H]-@7.61 .971653114 .822937027 .923899584 .805266359 .874338126 .919996017 .848866101 .875336676 .88252629 .769027464 .893353624 .81851465 .856729903 .828376588 .838452912 .789662939 1.059511385 .798846635 .842256427 .944666456 .73172932 .728715986 PC 35:1; [M-Ac-H]-@7.45 1.056220654 1.04974557 .992500541 .945634973 1.09525496 1.043447749 1.084896873 1.020373629 1.046087286 .943133959 1.054448803 .957620922 1.042684543 1.011304357 1.011284649 .973294529 1.040747117 .915106232 1.034665097 1.024991316 .844637854 .988231961 PC 35:2; [M-Ac-H]-@6.77 .928285898 .987075001 .989746722 .925803441 .998406686 .989033983 .957651945 .938692828 .965941719 .928460107 .982104772 .87671725 .944675151 .894132352 .925394973 .917089477 .974430316 .805944366 .970878693 .97451232 .872167691 .903478159 PC 35:3; [M-Ac-H]-@6.45 .872265862 .953452362 .849800015 .841801516 .875664477 .875499984 .940040535 .899639647 .901037023 .928514985 .900261152 .846248999 .895620012 .924832399 .832483622 .892640307 .898671815 .726759741 .911476894 .860550451 .701773016 .801014262 PC 35:4; [M-Ac-H]-@6.13 .832187819 .906400821 .886352742 .831015495 .823652753 .853640158 .946235426 .908467438 .875265595 .781618892 .886444325 .846864108 .821568497 .869427234 .89548917 .866156393 .932295124 .671528112 .844193556 .846840038 .809679489 .785726421 PC 35:5; [M-Ac-H]-@5.68 .802041677 .845212156 .869960596 .746081125 .849371367 .81907411 .969197688 .780754691 .836157034 .801674881 .791840188 .853801727 .828449316 .81941659 .799606773 .807635919 .820705339 .671425972 .83927938 .856034475 .725071383 .768968478 PC 36:1; [M-Ac-H]-@11.94 .772505895 .728890621 .623517603 .70981541 .737325781 .714221347 .852895328 .781189375 .719373832 .721204537 .79714651 .612953797 .730417903 .671000771 .593156592 .662061763 .731875737 .620605879 .730835087 .639432998 .584186185 .62494063 PC 36:1; [M-Ac-H]-@6.02 .590662826 .593960909 .686004767 .619383135 .680908642 .619734573 .525761624 .670177171 .631055618 .694590578 .583040633 .581922131 .588274816 .694543953 .590843418 .713464163 .619619532 .704025263 .624644149 .67874236 .715076166 .668464295 PC 36:1; [M-Ac-H]-@11.27 .778064425 .810901144 .670405605 .693822824 .817226275 .76647324 .814851921 .750923973 .806344809 .722842024 .639674492 .678953436 .772289885 .662764239 .728618476 .710166958 .740867633 .65041544 .744076936 .712337001 .645018064 .701841039 PC 36:1; [M-Ac-H]-@7.51 1.16501496 1.185517599 1.131488589 1.143491803 1.192936295 1.160219427 1.178850904 1.207217851 1.183461351 1.056109194 1.200726903 1.088857465 1.16668104 1.115743434 1.121774382 1.086569471 1.163260035 .988946175 1.166973252 1.10385427 1.035204528 1.071871342 PC 36:2; [M-Ac-H]-@6.98 1.191318718 1.196044276 1.14191268 1.114347108 1.193819718 1.142945747 1.152888347 1.138606667 1.200874721 1.11254084 1.198232402 1.08032332 1.171021111 1.074359801 1.183014426 1.109792536 1.175559551 1.119990066 1.178026716 1.116770001 1.141573716 1.131787568 PC 36:3; [M-Ac-H]-@6.65 1.078473853 1.131016277 1.092870445 1.081380577 1.100124914 1.122370658 1.12724853 1.08972801 1.111339441 1.084461372 1.143681751 1.067165605 1.138170677 1.054562657 1.100733512 1.113289164 1.123602107 .959273383 1.09104813 1.058232903 .993089686 1.062448487 PC 36:4; [M-Ac-H]-@6.28 .98882451 1.035545528 1.038129049 .996895884 1.009483087 1.022128732 1.062441681 1.029289581 1.04401719 .947217867 1.071558285 .966653538 1.053388007 .946113294 1.036503553 1.029323981 1.049214141 .868521878 1.019379436 1.008193938 .978331505 .94950039 PC 36:5; [M-Ac-H]-@5.90 .866314384 .905968439 .917138178 .908681821 .913489945 .912077062 .900427918 .919315747 .873409343 .882525235 .923753025 .886549482 .861440829 .863444659 .895764695 .932175574 .916282513 .740145211 .883087741 .855110669 .827726515 .827761107 PC 36:6; [M-Ac-H]-@5.54 .959170521 1.047614552 1.093262095 1.081427664 .961779857 1.047781981 1.052479707 .985777512 1.008505394 .977927922 .95667838 .955548423 1.061758079 1.038514609 .719280707 1.057836115 .999289568 .925117219 .999838726 .962362144 .981302517 .948516461 PC 37:0; [M-Ac-H]-@8.26 .797378625 .761742739 .759486975 .732841038 .839079245 .810488109 .817955559 .847362884 .776411107 .718713096 .763448469 .774773891 .799351724 .705624647 .755884456 .708344631 .754433048 .515463856 .846961081 .700744897 .643838088 .625998946 PC 37:1; [M-Ac-H]-@7.73 .911802203 .956592561 .864159525 .85924808 1.030701043 .983615766 .981523482 .948081101 .951052092 .851214679 .945187927 .840515714 .951398121 .858978226 .903314444 .859102472 .932243177 .733854044 .934902073 .88452221 .735474045 .880691583 PC 37:2; [M-Ac-H]-@7.32 .870616269 .878121975 .883776926 .847347061 .947409851 .899494318 .933423119 .938642999 .896391677 .807262161 .919177712 .841923062 .874113864 .818873645 .89443197 .885788742 .899322223 .678080841 .87104274 .839167223 .797703801 .80046596 PC 37:3; [M-Ac-H]-@7.04 .953355339 .969342355 .913913634 .872767754 .933739591 .948700757 .969244229 .932256581 .91088637 .901742786 .985716585 .910484685 .968523583 .935507492 .922898845 .888544387 .980741236 .733695602 .915242666 .916410699 .733043233 .845266142 PC 37:4; [M-Ac-H]-@6.63 .861958229 .928549962 .829657106 .842089786 .902080864 .909988524 .925003638 .903411635 .890803991 .833426095 .949033387 .859106201 .913871822 .813512084 .918673871 .870603704 .957796844 .733889516 .892278805 .846323945 .771173252 .813605602 PC 37:5; [M-Ac-H]-@6.19 .714204404 .80445949 .740106095 .712115035 .84042004 .775401445 .790568551 .760734336 .767663818 .738552536 .796864654 .76298449 .860481097 .689051723 .721784643 .764441759 .857450136 .569033182 .763415245 .721608129 .677925359 .737566447 PC 37:6; [M-Ac-H]-@5.96 .700891017 .771900871 .770606309 .721967646 .812724669 .792347495 .765917042 .802435787 .730751061 .687465602 .758046811 .77021153 .751692347 .682293019 .784069791 .761069447 .786301612 .670419717 .726870686 .730198241 .710788264 .667686644 PC 38:0; [M-Ac-H]-@8.51 .766794722 .799660207 .785871659 .74614284 .835879708 .796733482 .767279005 .795729105 .80934528 .731247416 .806999382 .75448188 .80790183 .738798474 .743939649 .773344691 .788437634 .613062759 .752006637 .725612589 .681829188 .749644435 PC 38:1; [M-Ac-H]-@7.92 .908537791 .937378243 .89716115 .881060649 .986771291 .935525374 .93648992 .926809995 .952767289 .841953671 .954091195 .903174738 .953071925 .87017427 .926290065 .917632264 .970384951 .740814671 .95133051 .870393997 .807082822 .854549851 PC 38:2; [M-Ac-H]-@7.64 1.008129513 .984573387 1.02272145 .9795544 1.046593099 .993418474 1.039016817 1.011744448 1.004681692 .928266704 .998756195 .948805299 1.020281328 .945650171 .989561949 .975692332 1.02720051 .862124367 .974663945 .969360755 .943413046 .934017838 PC 38:3; [M-Ac-H]-@7.30 1.067377496 1.138750111 1.01008743 1.012817397 1.062956926 1.073140265 1.074433359 1.076228098 1.08468076 1.015759899 1.108497017 1.046976698 1.116411581 1.025501928 1.061659739 1.018604818 1.126342058 .905334246 1.086267341 .967215188 .971936853 .987084558 PC 38:4; [M-Ac-H]-@6.85 1.071934914 1.094387973 .996633381 1.003471621 1.043419908 1.040371366 1.067799153 1.047775683 1.009687904 1.004923419 1.093655915 1.04834091 1.078090379 1.049759608 1.083899219 1.033621979 1.089170718 .941141529 1.034869948 .977250033 .963597043 1.003767967 PC 38:5; [M-Ac-H]-@6.52 .939127034 1.005646228 .941288106 .966853117 .964351119 .974332118 .963408582 .99875089 .986949023 .928718576 1.0386066 .954995438 .980898579 .916517317 1.033499522 .992114737 1.016484384 .850054653 .999593931 .915557812 1.008645206 .897055047 PC 38:6; [M-Ac-H]-@6.20 .979641383 .941728577 .998243699 .913189677 .94599774 .96235937 1.007480835 .882739682 .908571819 .895732673 1.014298773 .876397518 .89997876 .882323768 .934425647 .919391333 1.033108013 .876518688 .952241216 .948585844 .858615948 .841526604 PC 38:7; [M-Ac-H]-@5.73 .860676082 .889217943 .9732102 .940140734 .862320289 .896682948 .868952108 .901375664 .914386924 .864003687 .87175762 .829895647 .876030776 .840137092 .87443213 .901180099 .896124178 .817262576 .911576002 .880466428 .959302714 .804615836 PC 39:1; [M-Ac-H]-@8.32 .725732318 .727904585 .699004637 .668887682 .807133882 .864767274 .76163348 .741021444 .769944095 .68549925 .736575373 .651619908 .726048464 .646765565 .692414172 .700632167 .764928715 .499704685 .71116151 .696154321 .526932665 .692458463 PC 39:2; [M-Ac-H]-@7.89 .800764188 .765820761 .724871378 .71444652 .817533248 .777199693 .823030516 .814611902 .782751664 .66099832 .772578197 .73142866 .777316382 .736805107 .711018915 .729802456 .782029227 .604606887 .755536959 .69147502 .66638906 .69312962 PC 39:3; [M-Ac-H]-@7.56 .800675911 .836025881 .724087691 .749912331 .859749034 .84279741 .810022591 .837350041 .795051845 .74293978 .804593594 .792618824 .824271479 .796360361 .806894464 .738788229 .857337946 .635730008 .806715351 .777317199 .662372029 .740894258 PC 39:4; [M-Ac-H]-@7.16 .749951678 .785843063 .757687033 .757001919 .839942813 .790242453 .863949457 .799046179 .780406826 .771996874 .918653519 .803562217 .873308007 .766823221 .814157089 .822154498 .896754417 .616548783 .763201469 .778410817 .635093557 .703915855 PC 39:5; [M-Ac-H]-@6.77 .709033149 .706618032 .692941547 .761521638 .776108032 .773931139 .758380905 .743235335 .665569881 .714182485 .792075461 .724884493 .803312221 .713837148 .744857675 .745429229 .72703339 .634466563 .693477999 .671408262 .657077575 .651338922 PC 39:6; [M-Ac-H]-@6.48 .692998753 .723058769 .748180359 .614833597 .804609649 .757724291 .741481399 .760968676 .699371255 .667985792 .743602888 .676075921 .742298715 .665568573 .718070875 .81471899 .728481735 .64575008 .741142505 .781473312 .594600356 .692870796 PC 39:7; [M-Ac-H]-@6.09 .75997636 .701267275 .835157658 .817726013 .790607244 .831392922 .782844497 .762377299 .759390826 .764523441 .714949991 .665019601 .778093933 .736269872 .771644086 .706784723 .774762347 .603544053 .721831355 .748712694 .699909744 .651930953 PC 40:0; [M-Ac-H]-@9.30 .795938257 .740875596 .758982911 .680243509 .791503521 .825340911 .715521216 .844910929 .79859274 .663383003 .836853268 .705706724 .783062783 .753515143 .747865211 .714476393 .836269383 .584319195 .788299089 .61522566 .541961443 .599951753 PC 40:1; [M-Ac-H]-@8.79 .853758357 .8410883 .796725213 .788751345 .849833583 .849988271 .848874366 .842624462 .861103161 .751252249 .831073776 .784937776 .865498163 .785457482 .766281678 .785263889 .85628603 .605687168 .852496291 .706416563 .652886676 .734313343 PC 40:2; [M-Ac-H]-@8.25 .856042808 .84094068 .797528012 .774385441 .830122196 .866604266 .871993061 .847277512 .928099239 .7464804 .860644994 .78831132 .919899615 .76614183 .850422681 .817607159 .853409786 .602814417 .805450801 .697060193 .725252997 .763992955 PC 40:3; [M-Ac-H]-@7.79 .898966196 .882771729 .913257398 .824758786 .805959658 .927764073 .98976002 .807412232 .847824488 .770755121 .89190349 .813017312 .871018374 .801473729 .847364633 .850903546 .996577656 .619852175 .837203105 .839481194 .79268927 .702287382 PC 40:4; [M-Ac-H]-@7.43 .854020886 .890385003 .822170425 .806637204 .88481216 .871700732 .899468208 .862832485 .856396492 .805007384 .897782383 .823196966 .900818519 .839992228 .904906712 .842366644 .916883136 .712736014 .871995284 .795727311 .774144804 .829051598 PC 40:5; [M-Ac-H]-@7.18 .865975104 .840271331 .91268657 .865635361 .825449841 .977070581 .809908748 .811626797 .84442568 .789764108 .838946141 .866136473 .84925687 .813258065 .886952608 .847919656 .900241457 .738270452 .826221247 .876582249 .890310868 .768469995 PC 40:6; [M-Ac-H]-@6.80 .860291571 .898001057 .832310395 .846738532 .88311925 .887620768 .884237884 .919722077 .871564426 .807011617 .90192632 .836562169 .873721022 .844714221 .907615558 .891149589 .90089816 .736699159 .866912381 .830424543 .815015269 .802059608 PC 40:7; [M-Ac-H]-@6.39 .890394344 .90973221 .942321494 .915210504 .898459412 .9193839 .961280131 .938979534 .898942327 .88253228 .916607885 .853162353 .911926417 .845436111 .912548605 .88756268 .925219556 .819792654 .923550092 .897234262 .850711729 .813010428 PC 40:8; [M-Ac-H]-@5.92 .978689953 .972197905 1.164360581 1.088059155 .987979161 1.179763601 1.0688099 .95425095 1.074840108 1.150467864 .917040121 1.04855444 1.016979393 1.029812079 1.072404517 .957240045 1.017813886 .939526502 .992507998 1.149054129 .937124038 .976758311 PC 41:1; [M-Ac-H]-@9.08 .746723712 .77005503 .678851345 .689658524 .767912616 .74203753 .813745878 .756791385 .733393398 .628279116 .74606542 .657959469 .746718178 .662930541 .549950599 .653745476 .714024325 .468882053 .776780667 .60303207 .525482906 .617807924 PC 42:1; [M-Ac-H]-@9.34 .898459134 .871171805 .77476668 .751449119 .869782581 .832834689 .852406771 .84157456 .798038278 .721459501 .86709436 .752571734 .846621428 .781946144 .749769499 .784238751 .82563743 .57540925 .864341487 .715524943 .629812086 .726568214 PC 42:10; [M-Ac-H]-@5.86 .738112335 .737151663 .814353524 .848057837 .693939883 .927417205 .926674087 .724843362 .845240585 .707443328 .760386859 .738362424 .740273224 .743551946 .855592551 .706118928 .777178835 .673569505 .778668954 .710059485 .779062272 .685748156 PC 42:2; [M-Ac-H]-@8.79 .882199372 .903456199 .819559119 .741822019 .840602435 .843550704 .86136439 .796699726 .808451586 .72359887 .858219371 .810536405 .83093409 .756494056 .814995537 .824960101 .87105007 .494907622 .866371982 .727848969 .695471103 .735065634 PC 42:3; [M-Ac-H]-@8.37 .811675064 .838997707 .733239252 .705167494 .801699863 .873170115 .889045564 .772567847 .860807707 .700550141 .771809766 .819493956 .908770048 .735713134 .782082601 .725631979 .835456553 .602365256 .78208881 .689690571 .612553962 .712250181 PC 42:4; [M-Ac-H]-@7.96 .797067923 .842937467 .751697792 .69724928 .733725564 .816696076 .8766523 .747897198 .730585555 .738730397 .823719294 .775172329 .883875371 .803540973 .80765083 .760914339 .817747711 .641834391 .779344041 .704482711 .65841418 .731740828 PC 42:5; [M-Ac-H]-@7.65 .75067158 .810602436 .572177693 .697527315 .716575304 .762585423 .731799533 .74009613 .683560525 .62715216 .80693748 .736536636 .704786046 .682947652 .735711286 .764905577 .799048791 .602629954 .78623072 .647497265 .675172724 .694141635 PC 42:6; [M-Ac-H]-@7.32 .732055803 .710364398 .659973598 .688974388 .717260458 .794163343 .788239184 .708345284 .743576647 .669375839 .813064774 .793024107 .801232466 .690082325 .765555702 .772246812 .855942641 .514439448 .700757277 .686415309 .714769355 .691112659 PC 44:1; [M-Ac-H]-@9.93 .807772978 .794095214 .679257923 .686926178 .763028165 .73575414 .749601881 .699360217 .759830818 .702822196 .752993738 .730024079 .742397074 .716422606 .609043341 .700258917 .724120482 .559247117 .704740524 .610051022 .585066699 .624782327 PC 44:2; [M-Ac-H]-@9.34 .84327399 .911476125 .769092252 .765983659 .840343663 .873270866 .759080596 .798490937 .815225927 .761046209 .815469676 .739018701 .820145914 .734486117 .739905439 .799501094 .865886769 .435394669 .86098602 .681741757 .697309797 .727923187 PC 44:3; [M-Ac-H]-@8.80 .750101936 .847391241 .717630987 .734753986 .874575631 .736286274 .801787223 .721298901 .809879876 .635599839 .839955641 .749730519 .769025027 .785184716 .71894236 .689449591 .780513968 .508536037 .756990588 .588303387 .689374458 .739576604 PC 44:4; [M-Ac-H]-@8.55 .832970262 .860201824 .784831593 .749807086 .780096305 .839722575 .838398869 .808348764 .763342707 .766006964 .842920723 .777659881 .770509326 .76812442 .779609298 .760326965 .830926825 .602021853 .754363789 .706896432 .618292912 .689511404 PC 44:5; [M-Ac-H]-@8.23 .720396941 .79937501 .757729862 .658145048 .714073406 .723211792 .768280706 .677449085 .77658898 .704903332 .787283161 .775459452 .720583581 .69932211 .790564543 .716883685 .743883018 .485367341 .735519974 .641969948 .711017222 .634345702 PC 46:3; [M-Ac-H]-@9.68 .719296906 .774122941 .673577608 .639982164 .698521345 .692269563 .707759985 .652230509 .623499115 .643894482 .709274241 .646689822 .662097857 .682447342 .652315388 .628711191 .722560487 .443707492 .665097714 .219660266 .509765031 .604453843 PC 46:4; [M-Ac-H]-@9.21 .720634221 .863847439 .761170851 .638646585 .726377776 .679593023 .788626359 .745831126 .771095155 .598133065 .702371127 .711514611 .796700467 .719182906 .649644928 .723872008 .767280742 .589995675 .802844929 .638582345 .520638378 .589950975 PE 30:0; [M-H]-@6.16 .842131934 .790576844 .800809181 .752302355 .812707549 .826860357 .845085351 .796800352 1.000119194 .863252748 .781328691 .877836756 .803200932 .742183226 .80068343 .799840485 .827639003 .586383912 .855227903 .668075916 .530043204 .766831395 PE 30:1; [M-H]-@5.67 .776549432 .762960312 .819139843 .818229509 .821265964 .7857463 .804369554 .866884079 .822602277 .741959156 .776001383 .784446328 .7764349 .812840357 .752260554 .803757453 .845210887 .530876213 .826497235 .719496802 .495984197 .821728067 PE 31:0; [M-H]-@6.41 .731559858 .726532532 .679961107 .713459694 .702805076 .762183893 .697008834 .70713962 .71303548 .712523533 .701180902 .716325509 .6967553 .688425137 .623148314 .711472052 .760616749 .513316092 .735493737 .699516748 .548809222 .694094677 PE 31:1; [M-H]-@6.08 .81423668 .839724309 .757153568 .780080254 .856222186 .860308536 .840719813 .840390565 .885154756 .749145998 .858581085 .770700756 .865238355 .798694944 .814803149 .809987809 .862297353 .603577596 .861584171 .78303391 .662920928 .748393976 PE 32:0; [M-H]-@6.84 .896815369 .864804601 .827881685 .795929686 .884727588 .873257817 .8540722 .873810813 1.031655995 .912092556 .897610598 .95743024 .902781031 .784166299 .961908493 .980611053 .822005924 .704392801 .922843727 .745090724 .74890689 .795812377 PE 32:1; [M-H]-@6.34 1.065334034 1.117380484 .976427099 .995487246 1.056688197 1.063787377 1.018869668 .99735566 1.09708095 .962898311 .993815306 1.038918473 1.11290116 .99052526 1.037562432 1.017444939 1.056669687 .827943653 1.149901709 .90791146 .782576276 .996565256 PE 32:2; [M-H]-@5.81 .931150187 .940871925 .892416473 .915628902 .883304491 .893971048 .852198476 .902868218 .968776921 .893126971 .915175907 .897905461 .948670777 .879095757 .901299749 .922280432 .976098767 .640784575 .967575456 .822595893 .683997524 .857711122 PE 33:0; [M-H]-@7.01 .845526797 .797383585 .748756648 .754204965 .852501484 .842908785 .791684834 .793823154 .808461447 .803368131 .813769018 .734604516 .786554322 .790055629 .699294221 .801675561 .834441436 .671342249 .778333271 .756844699 .613325562 .77705056 PE 33:1; [M-H]-@6.58 .905121589 .892743703 .874737446 .90649159 .918300998 .946616871 .92955272 .900504796 .924085902 .894430484 .874444667 .967817286 1.019876804 .836023823 .998707132 .826591744 .890754883 .71354003 .919593851 .868203067 .793307738 .83368021 PE 33:2; [M-H]-@6.10 .916109331 .93373613 .906079438 .932564304 .977296797 .965593573 .931641699 .930869392 .987644575 .896413616 .954150876 .839880607 .962939535 .932494909 .857367272 .907980611 .990555551 .622071328 .951629555 .856717003 .658574447 .835964662 PE 34:0; [M-H]-@6.74 .890254486 .884738246 .880117433 .904721378 .917155497 .936649194 .898852269 .938747283 .924947333 .879817699 .882642966 .840293038 .906130401 .877258945 .866228953 .887444113 .918860326 .832177814 .95926524 .865226793 .840601265 .818698048 PE 34:1; [M-H]-@6.48 1.08688399 1.108560121 1.106410108 1.089532772 1.166824142 1.144748047 1.089205874 1.130602671 1.183428039 1.087565347 1.098533544 1.061343635 1.119104656 1.07495719 1.102452275 1.09275526 1.087915384 1.00040948 1.155363773 1.081231371 1.030383986 1.101747849 PE 34:1; [M-H]-@6.95 1.089742309 1.128181634 1.100322827 1.064219236 1.116802577 1.150841108 1.084932384 1.115545739 1.119849538 1.083098825 1.089092504 1.066179049 1.091330192 1.075662213 1.054335351 1.089607362 1.088505709 1.003040385 1.175813711 1.07528262 1.006444677 1.054516094 PE 34:2; [M-H]-@6.42 1.111278156 1.112184864 1.09283882 1.10057815 1.127855534 1.141237814 1.125049737 1.141094086 1.125100238 1.077864852 1.140509307 1.07490747 1.118690934 1.09173325 1.053600092 1.081504507 1.136507689 .924271085 1.116788319 1.048008016 .940754194 1.05985212 PE 34:3; [M-H]-@6.07 1.074338682 1.115448937 .982249866 1.052774109 1.039680325 1.045821858 1.009793237 1.050724764 1.096089561 1.048968055 1.082449424 .993209863 1.091106167 1.042105663 1.009995976 1.008190181 1.102186383 .744294283 1.09907563 .915588889 .81225535 .982018945 PE 34:4; [M-H]-@5.74 .898311244 .832475004 .807362552 .797342732 .89165121 .804490345 .832115196 .839923126 .846192355 .814465046 .826986865 .765647504 .804825267 .792863437 .794306876 .830148017 .871965098 .681985929 .85565371 .739075836 .555265588 .850682681 PE 35:0; [M-H]-@7.59 .85777092 .906280173 .81844784 .833629026 .890600802 .888547769 .843255697 .883865003 .885313055 .821091003 .860807952 .787806063 .81870842 .827631806 .80483119 .813435564 .851799401 .72292006 .912409133 .840428044 .773548888 .800650291 PE 35:1; [M-H]-@7.14 .960062058 .958778808 .915119412 .91245363 1.040847125 1.018150109 .988180682 1.020743728 .976238483 .911314824 .950215573 .917301511 .974037336 .956063941 .897034591 .906036078 .965723788 .815452587 .984307867 .969192224 .868244947 .91378472 PE 35:2; [M-H]-@6.75 .955823057 1.037745517 .966328784 .907311893 1.141065469 1.111566085 1.040075114 1.089577388 .995014699 .949942779 1.045870604 .990430905 .963604937 .908577465 .981479381 .999758659 1.016442269 .733140994 1.073566196 .974985274 .803634872 .971666773 PE 35:3; [M-H]-@6.37 .917310245 .98948395 .896174814 .86835459 .881027294 .91928752 .957501055 .89248584 .923676316 .880265232 .898694046 .887896608 .977738708 .915484433 .793094098 .839305349 .886780899 .62614046 .972902764 .86868583 .614168473 .855600483 PE 35:4; [M-H]-@6.09 .965282517 1.007309163 .919235464 .921130527 .973952242 .997996405 1.018327791 .92761612 1.043146501 .926126387 1.012190867 .902512258 .990630423 .930070324 .91851456 .918100761 .976101266 .614981762 .998285225 .905224406 .766058452 .875813874 PE 36:0; [M-H]-@7.95 1.002429183 1.005666902 .828240697 .882681138 .968137436 .97023438 .949531595 .95039707 .959827772 .856917721 .917366819 .959979215 .997994497 .858443691 1.000901314 .898199744 .902148143 .875761636 1.084346076 .852440337 .856365214 .835716531 PE 36:1; [M-H]-@7.39 1.104938368 1.07980828 1.079669907 1.032423453 1.167800046 1.187732991 1.130027995 1.134466926 1.145703518 1.073500053 1.111241633 1.043150494 1.106473355 1.083401783 1.059882958 1.110803203 1.118998959 .970769183 1.125433595 1.079694755 .985294033 1.06482102 PE 36:1; [M-H]-@7.53 1.124592188 1.110156926 1.083821218 1.077265497 1.17207341 1.133112702 1.118662654 1.151763913 1.170975262 1.068039313 1.1609046 1.0590495 1.127348736 1.076801504 1.108699294 1.106469484 1.138182576 .988036502 1.157064567 1.083846162 1.028089069 1.06871755 PE 36:2; [M-H]-@7.01 1.192565858 1.149507357 1.139989013 1.084840392 1.221447152 1.17715201 1.175760422 1.219076082 1.205758016 1.113899419 1.162887503 1.124900099 1.171015647 1.120414322 1.103474618 1.124813167 1.164783874 1.112448647 1.17810791 1.159033324 1.112917284 1.122400327 PE 36:3; [M-H]-@6.72 1.131626513 1.167515197 1.128755914 1.102591778 1.108791233 1.105038987 1.192611395 1.134206186 1.166675317 1.136345054 1.135206204 1.070379071 1.154605233 1.140595985 1.118828604 1.085155106 1.122691995 .928278578 1.155190965 1.10582096 .94372585 1.073165789 PE 36:4; [M-H]-@6.33 1.161485421 1.14499652 1.13227865 1.103655565 1.106337017 1.154341792 1.12404217 1.103690547 1.159570596 1.106260262 1.156684224 1.098619824 1.179499023 1.110600961 1.088079335 1.141553051 1.178443985 .968533062 1.147518287 1.099143848 1.003034056 1.065876731 PE 36:4; [M-H]-@6.49 1.156715317 1.135156167 1.13743724 1.076264524 1.10706262 1.103960132 1.120804144 1.104289432 1.162620067 1.125841068 1.150320344 1.073095165 1.128934088 1.11651227 1.083810265 1.126350286 1.115133247 .964555395 1.137656261 1.104151477 .978140287 1.066575798 PE 36:5; [M-H]-@6.00 1.054310733 1.058732143 1.059336812 1.030060864 1.021756452 1.068738383 1.078698755 1.078291399 1.130101533 1.003627926 1.105184947 1.030266052 1.017487553 1.065781158 1.033006469 1.06408954 1.055160363 .773630129 1.086077307 .971395121 .804318752 .926590639 PE 36:6; [M-H]-@5.55 .78405442 .831576899 .853340083 .817939883 .778337578 .81787616 .813216553 .838308196 .882172719 .748278091 .857323384 .833930253 .821221185 .825795283 .798462472 .813523426 .814484112 .551468717 .912785584 .76974088 .585852226 .737256385 PE 37:0; [M-H]-@8.07 .804505304 .70280106 .621819781 .682231653 .757542393 .777694935 .812523341 .738943368 .732749487 .719622832 .719891837 .696737937 .733763281 .712751886 .835118413 .86426231 .746563866 .721543671 .726137034 .680562273 .667589849 .58229664 PE 37:1; [M-H]-@7.67 .864881145 .91444351 .823450569 .820984388 .960243497 .980941466 .937026185 .949039866 .927355783 .795115518 .901702046 .82551823 .9013946 .870936374 .848971303 .841026181 .924370805 .634516792 .958202383 .87460594 .736829184 .792848067 PE 37:2; [M-H]-@7.37 .941922986 .965152471 .914706064 .857183775 1.028687616 .992544245 .984678627 .984912763 .94185009 .835116993 .935848211 .868208119 .968531026 .898891667 .909262866 .881858387 .937037314 .757168835 .986074788 .941464208 .775708121 .868984534 PE 37:3; [M-H]-@7.12 .995875954 1.01130031 .942574634 .91307813 .973524299 .994327634 .991784403 1.007426705 .999182666 .944639767 1.106712291 .934411056 1.005304259 .934634568 1.014150546 .869723379 1.019228335 .76416295 .957837349 .972107665 .785207288 .908783494 PE 37:4; [M-H]-@6.66 1.047158413 1.074018501 1.030898379 .976234855 1.036757945 1.060924487 1.114666791 1.072938587 1.060760802 .984852492 1.061104396 1.015526889 1.083802038 1.006432826 1.026263285 1.024982093 1.109568977 .860388691 1.08706618 1.062349259 .879340093 .957479621 PE 37:5; [M-H]-@6.26 .91828195 .92313077 .877306504 .857664527 .958694264 .902846177 .955894991 .941871427 .960717969 .826101221 .973247575 .88343249 .930633835 .889238736 .873304372 .920556119 .957051297 .732620139 .954729297 .880514886 .767868374 .832363642 PE 37:6; [M-H]-@6.09 .820749962 .802012654 .76849945 .809964035 .900273045 .869402431 .88187087 .865716774 .846930235 .748958151 .848467161 .782471001 .846641774 .793266653 .804502087 .779842938 .835266161 .641434017 .857329955 .759609782 .653748257 .809133441 PE 38:0; [M-H]-@8.02 .875854811 .755795865 .702440894 .811485981 .942247315 .778412606 .856853515 .825250047 .754907761 .689143856 .787062692 .720104847 .809218449 .772807816 .837430532 .822715152 .826292189 .646064364 .846133631 .677555252 .770244323 .81051181 PE 38:1; [M-H]-@8.04 1.033292232 1.007747188 .844724509 .988188196 .948840352 .944069331 .985278008 .947479489 .941528299 .850754682 .903048353 .859211361 .941065542 .852510143 .87813325 .953106968 .931005399 .817857033 1.063599595 .83704499 .859153231 .787472781 PE 38:2; [M-H]-@7.67 1.071302039 1.063397755 .982699622 1.011763562 1.105084228 1.105117148 1.106079687 1.089045649 1.078958985 1.000189753 1.031604322 1.040990727 1.090203114 1.031903911 1.001907462 1.014423305 1.081113255 .881733813 1.093137994 .989292518 .92150766 .994265611 PE 38:3; [M-H]-@7.37 1.201133864 1.20099131 1.085072988 1.081195926 1.165614222 1.207942386 1.197237428 1.172757277 1.189790319 1.144062911 1.185050709 1.160382713 1.228382565 1.120217956 1.108320773 1.110340691 1.215436961 .961678741 1.17941175 1.090435808 .96881741 1.119788598 PE 38:4; 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[M-H]-@6.10 .677515683 .678934549 .61344143 .739665975 .703067379 .71366671 .771084043 .784042647 .689616199 .526197263 .613131093 .572293825 .61128334 .560874275 .641369809 .59713853 .59816292 .510917992 .667099991 .636097986 .546087011 .516525244 PE 40:3; [M-H]-@7.88 .978445982 1.000461014 .939012713 .935661437 1.045745975 1.025077971 1.042834366 1.055563452 1.022239315 .90064079 1.015522432 .941646103 1.007915723 .943475015 .985725017 .937136894 1.027756132 .8278328 1.002565879 .952960759 .87335883 .928515527 PE 40:4; [M-H]-@7.49 .944400601 .974873211 .941930839 .94465244 1.026020916 .996792722 1.031030953 1.027198865 1.005605525 .941647382 1.003928016 .947830038 .993568495 .90125295 1.018042004 .992562522 1.02906342 .811231507 .993473349 .950323471 .927980821 .926585411 PE 40:5; [M-H]-@7.22 1.04857564 1.013991961 .957916495 .991410937 1.073061888 1.061272655 1.075128171 1.050462022 1.045407371 .975781361 1.044963527 .967175063 1.061901723 .971541458 1.030587588 .98702265 1.052528732 .945660565 1.061872922 .991054844 .983609907 1.020955327 PE 40:6; [M-H]-@6.88 1.012862112 1.041410454 1.062325854 1.046473501 1.072507814 1.073161225 1.046040711 1.088722012 1.092479519 1.023879171 1.067315819 1.014022577 1.124386928 1.023975668 1.114766343 1.084152378 1.083903868 .930589495 1.070197761 1.056482822 .989779572 1.008096053 PE 40:7; [M-H]-@6.48 1.023755366 1.059436186 1.037990882 1.034067757 1.105233004 1.136658451 1.099588388 1.098193668 1.103737468 1.061162717 1.115227764 1.020071544 1.114069431 1.026236346 1.093444091 1.074325442 1.098648123 .941571482 1.087506182 1.064022444 .993382283 1.036135406 PE 40:8; [M-H]-@6.11 .962427948 .944927438 .951259194 .900291583 1.005178091 .957251021 1.005005148 1.000150605 1.037802707 1.004643168 1.009007144 .991790009 1.013502885 .972243928 1.051949761 .951376099 1.066233939 .800885647 .970731748 .977364982 .87458661 .962733853 PE 41:0; [M-H]-@9.10 .803153551 .778175294 .71507723 .697961696 .819471988 .798562898 .754389281 .848743202 .770386979 .629437713 .792106716 .617649988 .722009357 .720172999 .753058713 .614162942 .703282916 .539211444 .793839343 .674035364 .494975098 .719049288 PE 41:1; 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[M-H]-@9.02 .938586009 .866127456 .816795808 .89580259 .928125784 .836194244 .962229243 1.007114673 .787508878 .662218188 .797694758 .713312371 .822434385 .764877859 .713196614 .82708645 .838287355 .704203292 .915226919 .735529615 .772055137 .728447555 PE 42:2; [M-H]-@8.63 .847630253 .853254781 .803979497 .923122252 1.0105373 .84445258 1.017631324 .824149312 .808146587 .742897767 .752673109 .753324109 .834521642 .756826266 .740998228 .840665908 .836916802 .526255402 .879221073 .728552795 .83907756 .838628476 PE 42:3; [M-H]-@8.45 .836129177 .820223008 .813903587 .854113752 .933969028 .878005274 .87464437 .896870654 .888510593 .756220979 .81129226 .840875784 .876997462 .807869399 .842981291 .803422915 .866189427 .739629702 .839784322 .781681616 .775382991 .84350622 PE 42:4; [M-H]-@8.05 .923104062 .926572607 .872107593 .853855503 1.008456406 1.002359294 .997623989 1.008391986 .981861482 .858026244 .914048938 .903093667 .950342389 .902970697 .891249615 .92536734 .933017314 .784808662 .927784142 .890017095 .836724069 .864054963 PE 42:4; [M-H]-@1.63 .64422521 .480385384 .615049546 .554331061 .627469678 .628002383 .601385875 .551397987 .622624983 .523114015 .709695983 .646582171 .606930784 .607188572 .583394168 .647724297 .651683756 .511821464 .529613756 .583621007 .597149438 .595276207 PE 42:5; [M-H]-@7.70 .91836872 .933272723 .907679211 .871694908 .999386187 .987147821 .99174278 .985515464 .947283848 .902331191 .949588651 .873755853 .940778258 .910419644 .96776123 .91694003 .941230455 .820635334 .916930452 .89807264 .846014444 .910802417 PE 42:7; [M-H]-@7.02 .7903941 .838241928 .525254667 .747733087 .857357904 .85843641 .880484531 .85949043 .821373149 .749126147 .874646683 .79033383 .798216386 .767286254 .863229519 .773802902 .845060622 .644511602 .766878583 .769637552 .772759422 .780502258 PE 42:8; [M-H]-@6.67 .796611497 .801745303 .785980626 .750129791 .832474702 .822512946 .880499242 .83893818 .776027122 .780129604 .82113736 .868206067 .82996438 .85562037 .90111293 .784653051 .778080735 .760331488 .794310939 .801844605 .701707531 .790573309 PE 43:4; [M-H]-@8.36 .793328972 .728950705 .710853024 .828955269 .912577748 .85818478 .97930544 .856927493 .740321225 .796017709 .876114641 .687028193 .743733233 .735408308 .739285515 .765295906 .753840276 .576453364 .747024836 .715254837 .762291218 .741396987 PE 44:1; [M-H]-@9.40 .706997985 .644641382 .649871161 .631405072 .743240108 .726979169 .807747624 .837375318 .674198976 .64154304 .622244338 .606435054 .745292607 .639645702 .582050783 .637145069 .625516862 .562782366 .670177082 .623216947 .587174259 .573847406 PE 44:2; [M-H]-@9.00 .80555328 .768913443 .722837353 .74861339 .804590587 .833340582 .929255704 .863840246 .758056556 .761551066 .761509072 .64645382 .824200936 .808174537 .642325266 .715396363 .786827399 .513681962 .760073045 .609684668 .637134562 .631197671 PE 44:3; [M-H]-@8.95 .78015153 .813587273 .773604813 .869211617 .791433979 .845085757 .874702827 .847654682 .778744123 .752511077 .795239078 .72640053 .783115441 .793614277 .765831036 .836605691 .892966894 .664353953 .787866513 .73877192 .656851903 .671915902 PE 44:4; [M-H]-@8.61 .927072208 .898465585 .846736147 .92915321 1.027609874 .985268539 1.009614204 .946414214 .917025883 .833981423 .979372586 .80705139 .833854866 .85242881 .864878409 .89710967 .863865585 .763890614 .894912979 .813285208 .783911714 .855204957 PE 44:5; [M-H]-@8.19 .887457284 .891538333 .833946407 .80900061 .953128431 .945822714 .959094855 .933975596 .870089934 .767617891 .879348466 .847194419 .86112575 .800782811 .858741607 .911705898 .870367482 .750398352 .878805711 .810124908 .747879019 .78072324 PE 46:4; [M-H]-@9.10 .696329727 .790439809 .642646602 .686989557 .713151677 .752198896 .753783258 .763550569 .7567842 .706420352 .68520479 .691567141 .750249121 .739724257 .658477819 .729457675 .738652936 .487016622 .724907648 .706980575 .551649018 .617090306 PG 26:0; [M-H]-@7.59 .65987413 .786086982 .770836099 .851879914 .713708618 .762559361 .731323652 .782132792 .758354588 .774293996 .794801799 .792524929 .793080238 .85976024 .854373646 .776321148 .817292844 .774280921 .704360641 .782158021 .833959661 .767694733 PG 27:0; [M-H]-@8.04 .868777624 .82520262 .800174615 .826457856 .802340841 .864089453 .864323024 .855722633 .804867524 .799966226 .8305935 .823239042 .861752594 .799482212 .848540312 .82891156 .841206825 .720589786 .844599251 .794194643 .694310087 .748224574 PG 27:4; [M-H]-@3.30 .696426647 .666940456 .67129765 .722839004 .64994973 .669758853 .673546437 .670243027 .592369343 .59026978 .711446807 .614088501 .702088501 .615591668 .631761155 .676841241 .69491991 .589108886 .662555612 .652595562 .6645502 .558997356 PG 30:0; [M-H]-@5.14 .614485686 .617578193 .718407418 .682607945 .522272023 .635949976 .617880923 .546500575 .644108087 .690973781 .537541792 .627742798 .656497535 .646941704 .579093569 .591796379 .654543294 .502552235 .640207654 .625676676 .565481383 .562522514 PG 32:0; [M-H]-@5.79 .814961744 .73450654 .747408135 .859607076 .751026163 .705749885 .813573988 .798150267 .807740978 .85772245 .70237869 .810556461 .809105893 .856734409 .745895726 .758467639 .786154731 .611122032 .787409403 .66788168 .757156275 .712301833 PG 32:1; [M-H]-@5.28 .82603716 .778460153 .817605938 .792992609 .832413768 .815208353 .81099863 .816746443 .786707385 .897981075 .814384132 .853596696 .880231665 .848727771 .788695573 .824059239 .869484057 .714970741 .823256361 .814294339 .664906297 .852935941 PG 32:2; [M-H]-@4.77 .857295199 .793010185 .852366358 .796676886 .77079402 .824343857 .844965818 .759768284 .662028778 .820082825 .802349664 .762393952 .726651002 .85322054 .744878971 .767748269 .827239857 .72059171 .79714854 .845994112 .522891303 .776027095 PG 33:0; [M-H]-@6.03 .727763067 .72137164 .764851881 .705291959 .727109165 .812752557 .751569322 .725259348 .74029435 .723628647 .696324666 .773389071 .730502217 .717162414 .71686197 .684982238 .68218495 .670015399 .660414466 .764044298 .668170203 .743154646 PG 33:1; [M-H]-@5.32 .786432802 .813139171 .798092611 .756039381 .780852892 .794085001 .839309265 .776617271 .773836668 .769910795 .75937162 .758324201 .794444971 .778737129 .757282848 .726350404 .787570878 .688617382 .782628625 .797161446 .692173225 .783163998 PG 33:2; 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[M-H]-@6.56 .91024206 .855086742 .91160955 .926469723 .898259573 .962397512 .936404585 .870465791 .8475039 .921049116 .852938297 .919098462 .899494365 .905694852 .997871186 .849909461 .913165919 .878909273 .88620896 .87360998 .820012171 .879600404 PI 38:3; [M-H]-@6.20 1.122028157 1.098947028 1.099742002 1.128435037 1.006881973 1.102038897 1.129444655 1.122756926 .962600389 1.051372232 1.054329242 1.153457224 1.070230884 1.038120804 1.152220881 1.012797309 1.022834068 1.065148749 1.095787142 1.079985713 1.014610561 1.020871086 PI 38:4; [M-H]-@5.78 .97099589 .98332175 1.015300958 .942782725 .99861532 1.038348698 1.007233416 .977808533 1.010954331 1.033894951 1.002096833 1.030371088 1.014439541 1.025270878 1.079662465 .990877302 1.033299871 .989707979 1.0039451 .992170896 .960156657 .995625705 PI 38:5; [M-H]-@5.38 .810012581 .841224084 .929200534 .850792995 .874633488 .927105959 .85073969 .869560595 .893519365 .940236885 .891647796 .904695123 .87388135 .884556709 .927463893 .882932958 .89222219 .855217696 .883422641 .851707871 .927084544 .840349219 PI 38:6; [M-H]-@5.09 .690166204 .707990586 .824012263 .776101515 .69299923 .755147714 .757807573 .716363201 .680275665 .755902708 .655340259 .709576001 .731311633 .682285795 .762258673 .717049911 .745131382 .614260127 .737937768 .620905041 .608440932 .566016118 PI 39:4; [M-H]-@6.15 .748958565 .73006981 .782470375 .803958649 .782658499 .85141941 .900255221 .765084916 .761211799 .755409201 .825719158 .766485543 .827242236 .794468161 .814505497 .75938425 .759272068 .622698959 .721831766 .728725293 .739370732 .693691938 PI 40:4; [M-H]-@6.24 .745965473 .763652533 .871570223 .797909372 .77633552 .82755976 .821403598 .780611189 .74245517 .756082622 .836853762 .898485907 .768365863 .91082986 .802955304 .717321707 .79143882 .675574477 .762008681 .758177178 .769550734 .775472164 PI 40:5; [M-H]-@6.13 .767889447 .812070186 .881176814 .890942571 .805189563 .861744528 .854626951 .827029625 .832845028 .841005463 .827073284 .851714728 .859830878 .805925791 .897444701 .86059631 .852066627 .732889031 .822338775 .737653945 .841173821 .79378848 PI 40:6; [M-H]-@5.77 .7230121 .755445256 .849591268 .846220023 .696310342 .794445913 .751755579 .765291281 .78175883 .745312924 .759761806 .771850631 .829960587 .751957327 .812678641 .728212343 .773231464 .704729456 .818299624 .684633747 .705070155 .67200505 PI 40:7; [M-H]-@5.26 .658927675 .663246318 .770532179 .718187153 .664778614 .715547721 .698289427 .740241492 .697637812 .726694091 .728808205 .692669898 .696185947 .702259566 .701411958 .675792516 .656428836 .602944277 .676866025 .60563214 .671384689 .58483796 PI 5:0; [M-H]-@6.16 .646732281 .394178898 .554285531 .495121456 .517237033 .625790306 .52644954 .517065885 .470126751 .514133844 .522061995 .521883939 .445705571 .773187017 .690906024 .528194928 .453513958 .703507428 .581744334 .51280101 .592863359 .548095245 PI 5:0; [M-H]-@5.38 .584697488 .422660285 .546843542 .478269934 .209218026 .617549629 .614011362 .622304447 .43142067 .558915908 .618524304 .579922383 .604954847 .563392036 .647685005 .524548595 .51161957 .568027103 .508811859 .505916003 .442979248 .599537901 PS 32:1; [M-H]-@5.17 .838462423 .798434997 1.040649723 .973934931 .691904689 .823500268 .737722045 .71932502 .796327921 .807984157 .715224765 .807190323 .779762152 .798211074 .822665557 .787399655 .742154903 .742244737 .764923929 .922793029 .831759982 .773720438 PS 34:1; [M-H]-@5.84 .894309025 .936292901 1.016894962 1.022085279 .849903902 .86691746 .946599531 .959923707 .935016836 .883900994 .922319578 .903980839 .909332174 .977262755 .988858986 .906850139 .974797109 .859451906 .945343637 .968235959 .981835574 .848363973 PS 34:2; [M-H]-@5.39 .805379614 .812111785 .86830343 .874263763 .807706775 .787652824 .779968396 .762927601 .749820986 .819077888 .789789656 .815418627 .800275822 .794330627 .783467565 .742577365 .771268603 .784035314 .787179973 .787709428 .819516198 .809812624 PS 36:2; [M-H]-@5.94 .915932628 .904159826 .956271805 .919518587 .934947548 .954121565 .970900063 .934655404 .956741366 .898122944 .968344804 .916890242 .968018033 .876336851 .961706377 .892163247 .961647782 .867539252 .928817658 .900308887 .945405892 .869412182 PS 36:3; [M-H]-@5.69 .832006387 .833128247 .913440184 .810862208 .779817992 .738870527 .884644487 .700262153 .825843889 .795662933 .746614051 .817580857 .78966293 .789092221 .768616646 .734981115 .777885558 .704741169 .773309515 .886743353 .758823667 .746569558 PS 36:4; [M-H]-@5.34 .806091933 .767805866 .753491901 .780985749 .753098966 .673432857 .844971212 .786525271 .756825337 .852876158 .741578701 .785287647 .77131309 .807776445 .738303746 .656638149 .788103119 .736291251 .760804021 .770501704 .748947174 .663974022 PS 38:2; [M-H]-@6.47 .930427802 1.044447185 .971442711 .945576264 .983186797 .93939073 .965242307 .937062323 .960742274 .979825549 .989783367 .960662054 1.079806168 .912088245 .962480065 .943691237 1.082121753 .803802827 .998990717 .913829497 .858340654 .950303408 PS 38:3; [M-H]-@6.33 .983202442 .992485648 .969517495 .971867956 .925316136 .969653235 .994178714 .963061988 .939285665 .969321709 .963072035 1.013342464 .976254019 .957916025 .954247807 .896040032 .961478475 .84747374 .937463347 .91986677 .870106818 .89493669 PS 38:4; [M-H]-@5.96 .888782588 .895208972 .942807991 .930625285 .915095868 .936037682 .979087619 .929275765 .990502747 .923987512 .980658843 .983115793 .931920618 .888988731 .961582226 .900006283 .919844992 .827715994 .900636361 .899929239 .888492886 .865014367 PS 38:5; [M-H]-@5.48 1.017533011 .930265752 1.019224634 .939052989 .851083777 .989463809 1.050590251 .947199381 .969662261 1.007314507 .989687866 1.024133712 .993764682 .956068664 1.011339606 .909549224 .949816322 .997341105 .933815824 .97887901 .956557439 .865929964 PS 38:6; [M-H]-@5.21 .734429401 .685347163 .804789807 .744649275 .69509622 .780093604 .780580256 .623416924 .681903979 .702953052 .777223508 .695236858 .663449136 .683795603 .69053188 .602965183 .730433359 .665650311 .751359262 .734233962 .613908653 .589360979 PS 39:4; [M-H]-@6.13 .77260735 .800906245 .816697827 .768255702 .887212777 .911879937 .877192624 .802061715 .803503479 .868434161 .772078697 .85463642 .843456788 .816388285 .84320607 .813896426 .785454121 .646785143 .795284464 .803624323 .74662152 .803227758 PS 40:4; [M-H]-@6.42 .844987111 .777166331 1.048685808 .896662616 .890464234 .853171428 .922743451 .876616143 .839793703 .965005566 .880740857 .899347953 .800443582 .871982092 .801090338 .694051866 .779277592 .657542445 .769975297 .864490035 .812364222 .727734226 PS 40:5; [M-H]-@6.20 .809969959 .827506983 .852866648 .839996929 .777957745 .837432419 .826822516 .803598922 .803381582 .82432889 .823712043 .794393582 .871459933 .831993323 .847879978 .816824371 .816994635 .744855919 .761794258 .801733199 .772676367 .764726806 PS 40:6; [M-H]-@5.90 .773262554 .830618277 .903604379 .905877261 .810050677 .859975044 .863964354 .860174809 .80658866 .868788272 .954420715 .852354785 .952487442 .843089607 .881294386 .784329686 .896087985 .693067023 .809866231 .834865381 .774481162 .752555827 PS 40:7; [M-H]-@5.38 .752836965 .708015091 .75713965 .720986021 .696863954 .847427889 .76813544 .650448317 .753435398 .648986956 .717619542 .664141357 .693382207 .683940108 .760483567 .614548938 .711939191 .629997743 .683647908 .65501773 .663741399 .65277571 lysoPE 16:0; [M-H]-@1.82 1.000998156 1.021549559 .983559042 1.016830437 .975419377 .982201002 .989975617 .958688567 .954869674 .899344684 .997864605 .91535395 1.01072867 .951161601 .905531199 1.006300375 .991605884 .772786304 1.039032778 .89409492 .760129927 .882635529 lysoPE 16:1; [M-H]-@1.22 .828617546 .87398425 .88267807 .926357364 .867021099 .880560138 .834195981 .84976462 .850446441 .838568373 .891514855 .816790931 .889347113 .8388138 .830748179 .895583824 .911637848 .557830391 .92368498 .787520701 .610147649 .787734956 lysoPE 17:0; [M-H]-@2.10 .840822219 .835712725 .86116036 .819007005 .859186481 .953728984 .931822437 .835325052 .885569863 .771959386 .901687884 .817173986 .91831066 .762255418 .780856937 .87829293 .889716671 .719839942 .845454532 .842828769 .664594841 .74428001 lysoPE 18:0; [M-H]-@2.17 1.073770723 1.128716172 1.116509354 1.103949605 1.092723462 1.129170813 1.091872868 1.090375107 1.113497181 1.017306117 1.097969016 1.02187472 1.106109891 1.045449043 1.05609037 1.1392284 1.128042772 .876734893 1.122560917 1.03532327 .944005279 .992893273 lysoPE 18:0; [M-H]-@2.59 1.069557793 1.113684364 1.056525993 1.099415796 1.083332354 1.134315243 1.064774256 1.091090242 1.064898198 1.014375566 1.098564796 1.024562075 1.125688035 1.03969716 1.031553814 1.09038986 1.134046917 .873295031 1.107611082 .979701551 .940128344 .984360129 lysoPE 18:1; [M-H]-@1.96 1.096157436 1.095174649 1.055934617 1.072751629 1.162228898 1.130536946 1.075798668 1.110246709 1.084248482 1.033411647 1.128651747 1.033497794 1.078295044 1.036746988 1.019688934 1.121541789 1.134600309 .936235532 1.129523802 1.021819342 .929261563 1.06067483 lysoPE 18:2; [M-H]-@1.45 .866027334 .89200729 .889261722 .862192043 .885929517 .935028863 .858279059 .913135472 .877004932 .877018067 .856764572 .852524934 .894529345 .869073957 .816080143 .897827198 .924177377 .743358473 .93011415 .801217138 .589610711 .814716681 lysoPE 18:3; [M-H]-@1.17 .762999992 .753580033 .716278892 .772947954 .713354154 .699456618 .664500798 .703190963 .725878462 .649153266 .730682167 .752223211 .736282109 .708184916 .648478831 .748928053 .73342529 .558349628 .751359305 .654782295 .460817453 .613556696 lysoPE 19:0; [M-H]-@2.89 .682517879 .796020192 .740446878 .793134626 .829202132 .806991038 .782938097 .69289332 .777934036 .737148792 .81098854 .749504691 .785863106 .777596494 .69366479 .772669642 .802644822 .689584498 .771470995 .730310727 .703775737 .758484789 lysoPE 20:1; [M-H]-@2.74 .818117248 .851992782 .865818729 .83979969 .889525345 .886822812 .902342821 .889382271 .816065559 .725707247 .855489753 .777771567 .8551467 .757867935 .769818749 .835844501 .850850489 .658061563 .860007431 .815646287 .701160271 .767766891 lysoPE 20:2; [M-H]-@2.13 .773782392 .944407131 .911690582 .783441072 .99842806 .823209271 .794245723 .852423276 .804783939 .77518449 .888534499 .808010865 .879027432 .803883252 .777904844 .842605649 .892258201 .618590308 .988683234 .864078623 .615234831 .922976793 lysoPE 20:3; [M-H]-@1.57 .99850245 1.004265838 .945026861 .985678893 1.021822687 1.023630481 1.013265699 1.013643052 .97102504 .981789515 .977232397 .980165531 1.012612526 .97182908 .927776465 .968969055 1.068501114 .80494916 1.003715223 .930751541 .700494847 .956822405 lysoPE 20:4; [M-H]-@1.38 .975114774 .940902576 .962756612 1.021217652 1.055344953 1.029957121 .98282699 1.012400282 1.029100573 .988845185 .999219389 .961084614 1.02089153 .972698003 .988235247 1.061632026 1.061177893 .864195352 1.032165742 .933628764 .858345806 .974170203 lysoPE 20:5; [M-H]-@1.08 .770275446 .748319757 .817425873 .819001171 .816060294 .772234341 .779044169 .730996736 .802666921 .71553695 .790166955 .791511034 .780716635 .735638788 .695137019 .767329306 .78245573 .548891808 .79968889 .700229895 .352243006 .718820492 lysoPE 22:0; [M-H]-@4.46 .670241776 .696913821 .68462032 .666047184 .730300579 .695009163 .618922641 .672985716 .676617569 .633023807 .624856478 .581134733 .689808478 .565064184 .576026698 .729488006 .677559504 .580480083 .723964658 .560685489 .577393129 .572562282 lysoPE 22:1; [M-H]-@3.62 .637333693 .743199807 .669332329 .675930179 .850534639 .721994183 .745342277 .713042683 .746108071 .562896309 .706253846 .566597118 .680178077 .655177657 .65989628 .724899567 .700268764 .490686695 .716136992 .613574318 .531633371 .634362203 lysoPE 22:4; [M-H]-@1.90 .67970757 .765304919 .718889715 .724280985 .857107363 .73926372 .698215088 .836846956 .774869989 .672232506 .681606174 .636707691 .724597874 .668007515 .736368849 .756470699 .757224106 .582951042 .803268535 .699913227 .678697793 .767562148 lysoPE 22:5; [M-H]-@1.63 .740721122 .760074221 .80108649 .7918363 .838919136 .878290628 .81952889 .828478707 .756171826 .813111453 .765662787 .756944104 .782461662 .716886135 .790688877 .828822097 .833918593 .684877225 .807255659 .778828856 .707818433 .739164056 lysoPE 22:6; [M-H]-@1.31 .834799347 .879666507 .946739508 .926632115 .930605692 .999823044 .930575345 .930883031 1.001834026 .942680445 .921703932 .908004467 .917465633 .869217199 .940003529 1.007708615 .906191092 .733447722 .955201513 .939315814 .716753518 .83456504 plasmenyl-PE 32:0; [M-H]-@7.19 1.013734036 .821697709 .847596441 .861461224 .914676146 .910621911 .923079218 .933692328 .923583257 .937964692 1.022742816 .984473144 .892345081 1.040270683 .958835604 .897544605 1.032517008 .844521593 .840183718 .848849716 .812049567 .850622948 plasmenyl-PE 32:1; [M-H]-@6.70 .770624355 .761356127 .760489427 .771945649 .8279811 .777817178 .795922588 .825135706 .848205066 .819537568 .75036085 .769756955 .796981851 .786461243 .857255529 .849298676 .797445352 .632835839 .807715165 .755429343 .7257692 .707207133 plasmenyl-PE 34:1; [M-H]-@7.26 .957194644 .868125027 .901018543 .914549754 1.005016273 .933597535 .973955931 .978334236 1.000991984 .975696365 .900378341 .917224395 .930096172 .950176448 1.014596525 1.026110312 .983775195 .840287803 .927982953 .956642541 .867266886 .913639844 plasmenyl-PE 34:2; [M-H]-@6.83 .98006985 .818099065 .751120082 .891516024 .960291136 .894089221 .86057365 .928414498 .959612741 .92468876 .974280635 .945825948 .897117834 .97968148 .932003469 .976567864 .965735225 .861450175 .862750115 .818543606 .808862243 .918295385 plasmenyl-PE 34:3; [M-H]-@6.61 .719126188 .730524603 .687589963 .780280565 .71605858 .732409261 .695492051 .684906743 .798633815 .736530204 .608442834 .671923357 .639657202 .76476682 .762729253 .76620503 .792312909 .528444426 .748724472 .559694862 .812639645 .629654017 plasmenyl-PE 36:1; [M-H]-@6.70 .671295307 .680935917 .689465282 .608779488 .768799847 .796071967 .739199608 .778771107 .72618687 .649387166 .745209197 .649295771 .731317688 .737162491 .721453436 .65905733 .842387485 .543898945 .768225621 .699949443 .580557297 .613317452 plasmenyl-PE 36:1; [M-H]-@7.84 .978899656 .902351533 .840406202 .885874511 .998990947 .931801662 .974190124 1.005586999 1.003434064 .957008868 .885351411 .908925346 .908199241 .932837508 1.027046712 .990040016 .981956893 .879351457 .949712109 .939063716 .953986951 .902187366 plasmenyl-PE 36:2; [M-H]-@7.41 .972995606 .918706616 .874604559 .890209219 1.043979746 .981321737 .96419349 1.031380969 1.04312732 1.008859831 .920006632 .94674829 .937814536 .964697553 1.071694036 1.002835953 1.018471669 .919108827 .998541807 .992460388 .956526308 .948109255 plasmenyl-PE 36:3; [M-H]-@7.04 .887798273 .902834721 .808566111 .790560812 .88745102 .917536631 .940216604 .896030446 .891699933 .852850341 .728121025 .792923254 .871697254 .85417858 .871084228 .840310773 .847789555 .729109276 .843491545 .813157643 .722262306 .78821492 plasmenyl-PE 36:4; [M-H]-@6.79 .927048694 .839323971 1.011441623 1.016576883 .924509941 .942799388 .996607986 .972915572 .963732847 .881280962 .799368851 .769078941 .897509839 .931360409 .964903979 .850460087 .993262828 .778964373 .872835784 .983476749 1.005898723 .781327031 plasmenyl-PE 36:5; [M-H]-@6.42 .713397947 .712128548 .708466973 .683972025 .768913416 .734531782 .780870203 .784299661 .727481444 .644065984 .627194981 .551543885 .647107818 .63196752 .633112244 .591346749 .662499997 .611449655 .682875038 .683580654 .64047434 .662437961 plasmenyl-PE 38:1; [M-H]-@8.38 .87735457 .82351403 .694529171 .832486463 .984057428 .902761096 .972717969 .890109028 .912826689 .890509825 .878422127 .787936688 .814277753 .855600833 1.005164735 .895505664 .893263092 .794143814 .894435159 .803313774 .924616062 .895287792 plasmenyl-PE 38:2; [M-H]-@8.00 .878850265 .845498978 .751491025 .763263544 .884130098 .873448259 .914979688 .90748909 .896638157 .848515961 .844812347 .823378424 .852825979 .843444056 .907185088 .851125208 .897319163 .738795618 .907639603 .826321696 .747232663 .779070356 plasmenyl-PE 38:3; [M-H]-@7.72 .916665872 .955187521 .835018165 .858558342 .90898031 .929293283 .94422806 .91836789 .878774243 .837126516 .856091025 .821935088 .896104758 .837984003 .917085064 .842650619 .907787954 .723243964 .890542694 .818124469 .857281237 .768308862 plasmenyl-PE 38:4; [M-H]-@6.19 .90061263 .873261446 .996652206 .986140483 .864520596 .96255148 .93499123 .892458119 .88533155 .975972825 .888145086 .97497599 .912488437 .998510391 .983195272 .963731251 .895505116 1.003288199 .908834491 1.023197246 1.032920649 .952204357 plasmenyl-PE 38:4; [M-H]-@7.35 .918942084 .872593911 .849458466 .834410308 .932842066 .894321472 .951116568 .924576412 .903809067 .859760175 .836773434 .810856868 .880495207 .8529287 .90870617 .859172875 .846238378 .766387333 .885781154 .873428664 .826123912 .85208417 plasmenyl-PE 38:5; [M-H]-@6.82 .789361833 .779695567 .802776807 .823134078 .877658546 .842122977 .917852008 .885936794 .92196768 .911732303 .715159861 .714426266 .809271016 .782510462 .830799046 .837660913 .816357905 .723537323 .877318161 .843089404 .873245887 .772948137 plasmenyl-PE 38:6; [M-H]-@6.69 .878598362 .739978088 .912051661 .778857012 .86324375 .844182671 .859243291 .85500142 .887356095 .77156838 .702977677 .689377375 .772879577 .739892403 .855417893 .753630108 .90429395 .765356176 .780079474 .93504987 .735135109 .699745941 plasmenyl-PE 40:3; [M-H]-@8.29 .856778568 .884495528 .795469731 .875038525 .862691374 .930461509 .916005927 .89654561 .856343066 .812743904 .836040378 .831347414 .906658893 .835524866 .824616335 .816614829 .868988318 .781394953 .891937147 .786234836 .7837349 .817308324 plasmenyl-PE 40:4; [M-H]-@7.94 .908563769 .832480398 .947606827 .860887538 .862856768 .986011994 1.014491478 .864824275 .937888507 .853580621 .846342778 .806059138 .902682696 .844619879 .872280817 .896656184 1.019473744 .792384614 .894395562 .955840061 .841068266 .791375269 plasmenyl-PE 40:4; [M-H]-@6.77 .94282698 .922497862 .820554244 .851306419 .962922656 .964041699 .960746187 .929742429 .910710982 .847856083 .925323626 .857702439 .901949936 .869971002 .883509114 .814485402 .940550693 .790098387 .97070024 .817516187 .739517455 .825003856 plasmenyl-PE 40:5; [M-H]-@7.55 .76068747 .709857131 .719559472 .735740574 .796987559 .804727751 .822564083 .776175637 .799264273 .776074939 .682518509 .713158415 .778575973 .725422494 .831586812 .795748118 .775314074 .69356596 .824243911 .719575072 .779252385 .67697239 plasmenyl-PE 40:6; [M-H]-@7.29 .740931072 .752407327 .775427528 .740565618 .834248548 .815415972 .819979756 .830597044 .810708869 .715228867 .712499351 .615872237 .767162115 .673573721 .814299552 .857975564 .781102825 .711774182 .793602167 .77229105 .742320328 .727205724 plasmenyl-PE 42:5; [M-H]-@8.00 .778123213 .8275289 .819920041 .813095262 .82716698 .837056418 .862884982 .852982009 .818075872 .789816962 .79472005 .788816612 .784411646 .79354173 .819295632 .845501252 .811783654 .737808018 .868303489 .8326182 .766183792 .772075535 plasmenyl-PE 42:6; [M-H]-@7.85 .759008895 .754220211 .794405434 .767527011 .783247308 .808394147 .802484518 .837115294 .798683744 .747392306 .763292987 .661910655 .752686436 .697563223 .806215117 .811418912 .826951965 .7087664 .806531571 .749077904 .720625628 .675225411 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 64:1; [M-2H](2-)@6.70 6.7 CL 64:1 LipidBLAST CL 64:4; [M-2H](2-)@8.62 8.62 CL 64:4 LipidBLAST CL 66:1; [M-2H](2-)@5.63 5.63 CL(66:1) LipidMaps Bulk ID CL 66:3; [M-2H](2-)@6.07 6.07 CL 66:4; [M-2H](2-)@8.94 8.94 CL 66:5; [M-2H](2-)@5.61 5.61 CL 66:5 LipidBLAST CL 68:1; [M-2H](2-)@7.40 7.4 CL(68:1) LipidMaps Bulk ID CL 68:2; [M-2H](2-)@9.60 9.6 CL(68:2) LipidMaps Bulk ID CL 68:3; [M-2H](2-)@9.40 9.4 CL(68:3) LipidMaps Bulk ID CL 68:4; [M-2H](2-)@9.19 9.19 CL(68:4) LipidMaps Bulk ID CL 68:5; [M-2H](2-)@9.00 9 CL 70:0; [M-2H](2-)@6.46 6.46 CL(70:0) LipidMaps Bulk ID CL 70:3; [M-2H](2-)@9.63 9.63 CL(70:3) LipidMaps Bulk ID CL 70:3; [M-2H](2-)@5.95 9.63 CL(70:3) LipidMaps Bulk ID CL 70:4; [M-2H](2-)@9.44 9.44 CL(70:4) LipidMaps Bulk ID CL 70:5; [M-2H](2-)@9.24 9.24 CL(70:5) LipidMaps Bulk ID CL 72:1; [M-2H](2-)@7.93 7.93 CL(72:1) LipidMaps Bulk ID CL 72:1; [M-2H](2-)@7.30 7.93 CL(72:1) LipidMaps Bulk ID CL 72:3; [M-2H](2-)@7.61 7.61 CL(72:3) LipidMaps Bulk ID CL 72:4; [M-2H](2-)@9.65 9.65 CL(72:4) LipidMaps Bulk ID CL 72:5; [M-2H](2-)@9.49 9.49 CL(72:5) LipidMaps Bulk ID CL 72:5; [M-2H](2-)@6.47 9.49 CL(72:5) LipidMaps Bulk ID CL 72:8; [M-2H](2-)@5.88 5.88 CL(72:8) LipidMaps Bulk ID CL 74:11; [M-2H](2-)@5.74 5.74 CL 74:11 LipidBLAST CL 74:2; [M-2H](2-)@6.77 6.77 CL(74:2) LipidMaps Bulk ID CL 74:4; [M-2H](2-)@6.44 6.44 CL(74:4) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.20 6.2 CL(74:7) LipidMaps Bulk ID CL 76:10; [M-2H](2-)@9.56 9.56 CL(76:10) LipidMaps Bulk ID CL 76:11; [M-2H](2-)@5.46 5.46 CL(76:11) LipidMaps Bulk ID CL 76:12; [M-2H](2-)@9.21 9.21 CL(76:12) LipidMaps Bulk ID CL 76:3; [M-2H](2-)@7.32 7.32 CL(76:3) LipidMaps Bulk ID CL 76:4; [M-2H](2-)@6.69 6.69 CL(76:4) LipidMaps Bulk ID CL 76:5; [M-2H](2-)@6.93 6.93 CL(76:5) LipidMaps Bulk ID CL 76:7; [M-2H](2-)@6.36 6.36 CL(76:7) LipidMaps Bulk ID CL 78:0; [M-2H](2-)@7.53 7.53 CL(78:0) LipidMaps Bulk ID CL 78:1; [M-2H](2-)@7.51 7.51 CL(78:1) LipidMaps Bulk ID CL 78:12; [M-2H](2-)@9.44 9.44 CL(78:12) LipidMaps Bulk ID CL 78:13; [M-2H](2-)@5.74 5.74 CL(78:13) LipidMaps Bulk ID CL 78:2; [M-2H](2-)@7.32 7.32 CL(78:2) LipidMaps Bulk ID CL 78:3; [M-2H](2-)@7.10 7.1 CL 78:3 LipidBLAST CL 78:4; [M-2H](2-)@6.97 6.97 CL(78:4) LipidMaps Bulk ID CL 78:5; [M-2H](2-)@6.60 6.6 CL(78:5) LipidMaps Bulk ID CL 78:6; [M-2H](2-)@6.60 6.6 CL(78:6) LipidMaps Bulk ID CL 78:8; [M-2H](2-)@6.37 6.37 CL(78:8) LipidMaps Bulk ID CL 80:11; [M-2H](2-)@6.47 6.47 CL 80:11 LipidBLAST CL 80:12; [M-2H](2-)@5.61 9.65 CL(80:12) LipidMaps Bulk ID CL 80:12; [M-2H](2-)@9.65 9.65 CL(80:12) LipidMaps Bulk ID CL 80:7; [M-2H](2-)@7.03 7.03 CL 80:7 LipidBLAST CL 80:9; [M-2H](2-)@6.87 6.87 CL 80:9 LipidBLAST CL 82:15; [M-2H](2-)@6.13 6.13 CL 82:15 LipidBLAST CL 82:7; [M-2H](2-)@5.61 5.61 CL 82:7 LipidBLAST CL 84:13; [M-2H](2-)@6.79 6.79 CL 84:13 LipidBLAST PA 31:0; [M-H]-@5.43 5.43 PA(31:0) LipidMaps Bulk ID PA 31:1; [M-H]-@4.91 4.91 PA(31:1) LipidMaps Bulk ID PA 33:0; [M-H]-@6.07 6.07 PA(33:0) LipidMaps Bulk ID PA 33:1; [M-H]-@5.56 5.56 PA(33:1) LipidMaps Bulk ID PA 34:0; [M-H]-@6.21 6.21 PA(34:0) LipidMaps Bulk ID PA 34:1; [M-H]-@5.75 5.75 PA(34:1) LipidMaps Bulk ID PA 35:1; [M-H]-@6.11 6.11 PA(35:1) LipidMaps Bulk ID PA 35:2; [M-H]-@5.68 5.68 PA(35:2) LipidMaps Bulk ID PA 35:3; [M-H]-@5.30 5.3 PA(35:3) LipidMaps Bulk ID PA 36:1; [M-H]-@6.33 6.33 PA(36:1) LipidMaps Bulk ID PA 37:1; [M-H]-@6.73 6.73 PA(37:1) LipidMaps Bulk ID PA 37:2; [M-H]-@5.99 5.99 PA(37:2) LipidMaps Bulk ID PA 37:3; [M-H]-@5.74 5.74 PA(37:3) LipidMaps Bulk ID PA 38:1; [M-H]-@6.76 6.76 PA(38:1) LipidMaps Bulk ID PA 40:3; [M-H]-@7.35 7.35 PA(40:3) LipidMaps Bulk ID PA 41:2; [M-H]-@7.19 7.19 PA(41:2) LipidMaps Bulk ID PA 41:3; [M-H]-@6.54 6.54 PA(41:3) LipidMaps Bulk ID PA 41:4; [M-H]-@6.59 6.59 PA(41:4) LipidMaps Bulk ID PA 43:6; [M-H]-@6.50 6.5 PA(43:6) LipidMaps Bulk ID PC 26:0; [M-Ac-H]-@4.64 4.64 PC(26:0) LipidMaps Bulk ID PC 28:0; [M-Ac-H]-@5.44 5.44 PC(28:0) LipidMaps Bulk ID PC 28:1; [M-Ac-H]-@4.92 4.92 PC(28:1) LipidMaps Bulk ID PC 29:0; [M-Ac-H]-@5.68 5.68 PC(29:0) LipidMaps Bulk ID PC 29:1; [M-Ac-H]-@5.27 5.27 PC(29:1) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@6.12 6.12 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.59 5.59 PC(30:1) LipidMaps Bulk ID PC 30:2; [M-Ac-H]-@5.14 5.14 PC(30:2) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.36 6.36 PC(31:0) LipidMaps Bulk ID PC 31:1; [M-Ac-H]-@5.89 5.89 PC(31:1) LipidMaps Bulk ID PC 31:2; [M-Ac-H]-@5.47 5.47 PC(31:2) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@6.78 8.38 PC(32:0) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@8.38 8.38 PC(32:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@4.43 6.27 PC(32:1) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.27 6.27 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.84 5.84 PC(32:2) LipidMaps Bulk ID PC 32:3; [M-Ac-H]-@5.43 5.43 PC(32:3) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@6.93 6.93 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.55 6.55 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.08 6.5 PC(33:2) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.50 6.5 PC(33:2) LipidMaps Bulk ID PC 33:3; [M-Ac-H]-@5.67 5.67 PC(33:3) LipidMaps Bulk ID PC 33:4; [M-Ac-H]-@5.27 5.27 PC(33:4) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@4.52 4.52 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.48 6.48 PC(34:2) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@5.35 6.48 PC(34:2) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.34 6.48 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.93 6.15 PC(34:3) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@6.15 6.15 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.67 5.67 PC(34:4) LipidMaps Bulk ID PC 34:5; [M-Ac-H]-@5.29 5.29 PC(34:5) LipidMaps Bulk ID PC 35:0; [M-Ac-H]-@7.61 7.61 PC(35:0) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.45 7.45 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.77 6.77 PC(35:2) LipidMaps Bulk ID PC 35:3; [M-Ac-H]-@6.45 6.45 PC(35:3) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@6.13 6.13 PC(35:4) LipidMaps Bulk ID PC 35:5; [M-Ac-H]-@5.68 5.68 PC(35:5) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@11.94 11.94 PC(36:1) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@6.02 11.94 PC(36:1) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@11.27 11.94 PC(36:1) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.51 11.94 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@6.98 6.98 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.65 6.65 PC(36:3) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.28 6.28 PC(36:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.90 5.9 PC(36:5) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.54 5.54 PC(36:6) LipidMaps Bulk ID PC 37:0; [M-Ac-H]-@8.26 8.26 PC(37:0) LipidMaps Bulk ID PC 37:1; [M-Ac-H]-@7.73 7.73 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]-@7.04 7.04 PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.63 6.63 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.19 6.19 PC(37:5) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.96 5.96 PC(37:6) LipidMaps Bulk ID PC 38:0; [M-Ac-H]-@8.51 8.51 PC(38:0) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.92 7.92 PC(38:1) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.64 7.64 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.30 7.3 PC(38:3) LipidMaps Bulk ID PC 38:4; [M-Ac-H]-@6.85 6.85 PC(38:4) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.52 6.52 PC(38:5) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@6.20 6.2 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.73 5.73 PC(38:7) LipidMaps Bulk ID PC 39:1; [M-Ac-H]-@8.32 8.32 PC(39:1) LipidMaps Bulk ID PC 39:2; [M-Ac-H]-@7.89 7.89 PC(39:2) LipidMaps Bulk ID PC 39:3; [M-Ac-H]-@7.56 7.56 PC(39:3) LipidMaps Bulk ID PC 39:4; [M-Ac-H]-@7.16 7.16 PC(39:4) LipidMaps Bulk ID PC 39:5; [M-Ac-H]-@6.77 6.77 PC(39:5) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.48 6.48 PC(39:6) LipidMaps Bulk ID PC 39:7; [M-Ac-H]-@6.09 6.09 PC(39:7) LipidMaps Bulk ID PC 40:0; [M-Ac-H]-@9.30 9.3 PC(40:0) LipidMaps Bulk ID PC 40:1; [M-Ac-H]-@8.79 8.79 PC(40:1) LipidMaps Bulk ID PC 40:2; [M-Ac-H]-@8.25 8.25 PC(40:2) LipidMaps Bulk ID PC 40:3; [M-Ac-H]-@7.79 7.79 PC(40:3) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.43 7.43 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.18 7.18 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.80 6.8 PC(40:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.39 6.39 PC(40:7) LipidMaps Bulk ID PC 40:8; [M-Ac-H]-@5.92 5.92 PC(40:8) LipidMaps Bulk ID PC 41:1; [M-Ac-H]-@9.08 9.08 PC(41:1) LipidMaps Bulk ID PC 42:1; [M-Ac-H]-@9.34 9.34 PC(42:1) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.86 5.86 PC(42:10) LipidMaps Bulk ID PC 42:2; [M-Ac-H]-@8.79 8.79 PC(42:2) LipidMaps Bulk ID PC 42:3; [M-Ac-H]-@8.37 8.37 PC(42:3) LipidMaps Bulk ID PC 42:4; [M-Ac-H]-@7.96 7.96 PC(42:4) LipidMaps Bulk ID PC 42:5; [M-Ac-H]-@7.65 7.65 PC(42:5) LipidMaps Bulk ID PC 42:6; [M-Ac-H]-@7.32 7.32 PC(42:6) LipidMaps Bulk ID PC 44:1; [M-Ac-H]-@9.93 9.93 PC(44:1) LipidMaps Bulk ID PC 44:2; [M-Ac-H]-@9.34 9.34 PC(44:2) LipidMaps Bulk ID PC 44:3; [M-Ac-H]-@8.80 8.8 PC(44:3) LipidMaps Bulk ID PC 44:4; [M-Ac-H]-@8.55 8.55 PC(44:4) LipidMaps Bulk ID PC 44:5; [M-Ac-H]-@8.23 8.23 PC(44:5) LipidMaps Bulk ID PC 46:3; [M-Ac-H]-@9.68 9.68 PC 46:3 LipidBLAST PC 46:4; [M-Ac-H]-@9.21 9.21 PC 46:4 LipidBLAST PE 30:0; [M-H]-@6.16 6.16 PE(30:0) LipidMaps Bulk ID PE 30:1; [M-H]-@5.67 5.67 PE(30:1) LipidMaps Bulk ID PE 31:0; [M-H]-@6.41 6.41 PE(31:0) LipidMaps Bulk ID PE 31:1; [M-H]-@6.08 6.08 PE(31:1) LipidMaps Bulk ID PE 32:0; [M-H]-@6.84 6.84 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.34 6.34 PE(32:1) LipidMaps Bulk ID PE 32:2; [M-H]-@5.81 5.81 PE(32:2) LipidMaps Bulk ID PE 33:0; [M-H]-@7.01 7.01 PE(33:0) LipidMaps Bulk ID PE 33:1; [M-H]-@6.58 6.58 PE(33:1) LipidMaps Bulk ID PE 33:2; [M-H]-@6.10 6.1 PE(33:2) LipidMaps Bulk ID PE 34:0; [M-H]-@6.74 6.74 PE(34:0) LipidMaps Bulk ID PE 34:1; [M-H]-@6.48 6.95 PE(34:1) LipidMaps Bulk ID PE 34:1; [M-H]-@6.95 6.95 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.42 6.42 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.07 6.07 PE(34:3) LipidMaps Bulk ID PE 34:4; [M-H]-@5.74 5.74 PE(34:4) LipidMaps Bulk ID PE 35:0; [M-H]-@7.59 7.59 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.14 7.14 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.75 6.75 PE(35:2) LipidMaps Bulk ID PE 35:3; [M-H]-@6.37 6.37 PE(35:3) LipidMaps Bulk ID PE 35:4; [M-H]-@6.09 6.09 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.95 7.95 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@7.39 7.53 PE(36:1) LipidMaps Bulk ID PE 36:1; [M-H]-@7.53 7.53 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@7.01 7.01 PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@6.72 6.72 PE(36:3) LipidMaps Bulk ID PE 36:4; [M-H]-@6.33 6.49 PE(36:4) LipidMaps Bulk ID PE 36:4; [M-H]-@6.49 6.49 PE(36:4) LipidMaps Bulk ID PE 36:5; [M-H]-@6.00 6 PE(36:5) LipidMaps Bulk ID PE 36:6; [M-H]-@5.55 5.55 PE(36:6) LipidMaps Bulk ID PE 37:0; [M-H]-@8.07 8.07 PE(37:0) LipidMaps Bulk ID PE 37:1; [M-H]-@7.67 7.67 PE(37:1) LipidMaps Bulk ID PE 37:2; [M-H]-@7.37 7.37 PE(37:2) LipidMaps Bulk ID PE 37:3; [M-H]-@7.12 7.12 PE(37:3) LipidMaps Bulk ID PE 37:4; [M-H]-@6.66 6.66 PE(37:4) LipidMaps Bulk ID PE 37:5; [M-H]-@6.26 6.26 PE(37:5) LipidMaps Bulk ID PE 37:6; [M-H]-@6.09 6.09 PE(37:6) LipidMaps Bulk ID PE 38:0; [M-H]-@8.02 8.02 PE(38:0) LipidMaps Bulk ID PE 38:1; [M-H]-@8.04 8.04 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@7.67 7.67 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.37 7.37 PE(38:3) LipidMaps Bulk ID PE 38:4; [M-H]-@6.96 6.96 PE(38:4) LipidMaps Bulk ID PE 38:5; [M-H]-@6.55 6.55 PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@6.24 6.24 PE(38:6) LipidMaps Bulk ID PE 38:7; [M-H]-@5.82 5.82 PE(38:7) LipidMaps Bulk ID PE 39:1; [M-H]-@8.18 8.18 PE(39:1) LipidMaps Bulk ID PE 39:2; [M-H]-@7.84 7.84 PE(39:2) LipidMaps Bulk ID PE 39:3; [M-H]-@7.59 7.59 PE(39:3) LipidMaps Bulk ID PE 39:4; [M-H]-@7.21 7.21 PE(39:4) LipidMaps Bulk ID PE 39:6; [M-H]-@6.65 6.65 PE(39:6) LipidMaps Bulk ID PE 39:7; [M-H]-@6.16 6.16 PE(39:7) LipidMaps Bulk ID PE 40:1; [M-H]-@8.56 8.56 PE(40:1) LipidMaps Bulk ID PE 40:2; [M-H]-@8.07 8.07 PE(40:2) LipidMaps Bulk ID PE 40:3; [M-H]-@6.10 7.88 PE(40:3) LipidMaps Bulk ID PE 40:3; [M-H]-@7.88 7.88 PE(40:3) LipidMaps Bulk ID PE 40:4; [M-H]-@7.49 7.49 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.22 7.22 PE(40:5) LipidMaps Bulk ID PE 40:6; [M-H]-@6.88 6.88 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]-@6.11 6.11 PE(40:8) LipidMaps Bulk ID PE 41:0; [M-H]-@9.10 9.1 PE(41:0) LipidMaps Bulk ID PE 41:1; [M-H]-@8.82 8.82 PE(41:1) LipidMaps Bulk ID PE 41:2; [M-H]-@8.26 8.26 PE(41:2) LipidMaps Bulk ID PE 41:4; [M-H]-@7.78 7.78 PE(41:4) LipidMaps Bulk ID PE 41:6; [M-H]-@7.15 7.15 PE(41:6) LipidMaps Bulk ID PE 42:1; [M-H]-@9.02 9.02 PE(42:1) LipidMaps Bulk ID PE 42:2; [M-H]-@8.63 8.63 PE(42:2) LipidMaps Bulk ID PE 42:3; [M-H]-@8.45 8.45 PE(42:3) LipidMaps Bulk ID PE 42:4; [M-H]-@8.05 8.05 PE(42:4) LipidMaps Bulk ID PE 42:4; [M-H]-@1.63 8.05 PE(42:4) LipidMaps Bulk ID PE 42:5; [M-H]-@7.70 7.7 PE(42:5) LipidMaps Bulk ID PE 42:7; [M-H]-@7.02 7.02 PE(42:7) LipidMaps Bulk ID PE 42:8; [M-H]-@6.67 6.67 PE(42:8) LipidMaps Bulk ID PE 43:4; [M-H]-@8.36 8.36 PE(43:4) LipidMaps Bulk ID PE 44:1; [M-H]-@9.40 9.4 PE(44:1) LipidMaps Bulk ID PE 44:2; [M-H]-@9.00 9 PE(44:2) LipidMaps Bulk ID PE 44:3; [M-H]-@8.95 8.95 PE(44:3) LipidMaps Bulk ID PE 44:4; [M-H]-@8.61 8.61 PE(44:4) LipidMaps Bulk ID PE 44:5; [M-H]-@8.19 8.19 PE(44:5) LipidMaps Bulk ID PE 46:4; [M-H]-@9.10 9.1 PE 46:4 LipidBLAST PG 26:0; [M-H]-@7.59 7.59 PG(26:0) LipidMaps Bulk ID PG 27:0; [M-H]-@8.04 8.04 PG(27:0) LipidMaps Bulk ID PG 27:4; [M-H]-@3.30 3.3 PG 27:4 LipidBLAST PG 30:0; [M-H]-@5.14 5.14 PG(30:0) LipidMaps Bulk ID PG 32:0; [M-H]-@5.79 5.79 PG(32:0) LipidMaps Bulk ID PG 32:1; [M-H]-@5.28 5.28 PG(32:1) LipidMaps Bulk ID PG 32:2; [M-H]-@4.77 4.77 PG(32:2) LipidMaps Bulk ID PG 33:0; [M-H]-@6.03 6.03 PG(33:0) LipidMaps Bulk ID PG 33:1; [M-H]-@5.32 5.32 PG(33:1) LipidMaps Bulk ID PG 33:2; [M-H]-@5.11 5.11 PG(33:2) LipidMaps Bulk ID PG 34:1; [M-H]-@5.78 5.78 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.23 5.23 PG(34:2) LipidMaps Bulk ID PG 34:3; [M-H]-@5.21 5.21 PG(34:3) LipidMaps Bulk ID PG 34:3; [M-H]-@4.75 5.21 PG(34:3) LipidMaps Bulk ID PG 34:4; [M-H]-@5.58 5.58 PG(34:4) LipidMaps Bulk ID PG 35:2; [M-H]-@5.64 7.59 PG(35:2) LipidMaps Bulk ID PG 35:2; [M-H]-@7.59 7.59 PG(35:2) LipidMaps Bulk ID PG 36:0; [M-H]-@6.91 6.91 PG(36:0) LipidMaps Bulk ID PG 36:1; [M-H]-@6.29 6.29 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@5.84 5.84 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@7.03 7.03 PG(36:3) LipidMaps Bulk ID PG 36:3; [M-H]-@5.34 7.03 PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@4.92 4.92 PG(36:4) LipidMaps Bulk ID PG 36:5; [M-H]-@4.79 4.79 PG(36:5) LipidMaps Bulk ID PG 37:4; [M-H]-@5.24 5.24 PG(37:4) LipidMaps Bulk ID PG 38:2; [M-H]-@6.18 6.18 PG(38:2) LipidMaps Bulk ID PG 38:3; [M-H]-@5.78 6.22 PG(38:3) LipidMaps Bulk ID PG 38:3; [M-H]-@6.22 6.22 PG(38:3) LipidMaps Bulk ID PG 38:4; [M-H]-@5.43 5.98 PG(38:4) LipidMaps Bulk ID PG 38:4; [M-H]-@5.98 5.98 PG(38:4) LipidMaps Bulk ID PG 38:5; [M-H]-@5.27 5.58 PG(38:5) LipidMaps Bulk ID PG 38:5; [M-H]-@5.58 5.58 PG(38:5) LipidMaps Bulk ID PG 38:6; [M-H]-@4.90 5.35 PG(38:6) LipidMaps Bulk ID PG 38:6; [M-H]-@5.35 5.35 PG(38:6) LipidMaps Bulk ID PG 38:7; [M-H]-@4.47 4.47 PG(38:7) LipidMaps Bulk ID PG 39:6; [M-H]-@5.15 5.15 PG(39:6) LipidMaps Bulk ID PG 39:7; [M-H]-@4.81 4.81 PG(39:7) LipidMaps Bulk ID PG 40:3; [M-H]-@6.36 6.36 PG(40:3) LipidMaps Bulk ID PG 40:4; [M-H]-@6.09 6.09 PG(40:4) LipidMaps Bulk ID PG 40:5; [M-H]-@5.85 5.85 PG(40:5) LipidMaps Bulk ID PG 40:6; [M-H]-@5.49 5.49 PG(40:6) LipidMaps Bulk ID PG 40:7; [M-H]-@5.05 5.46 PG(40:7) LipidMaps Bulk ID PG 40:7; [M-H]-@5.46 5.46 PG(40:7) LipidMaps Bulk ID PG 40:8; [M-H]-@4.68 4.68 PG(40:8) LipidMaps Bulk ID PG 40:9; [M-H]-@4.40 4.4 PG(40:9) LipidMaps Bulk ID PG 42:10; [M-H]-@4.69 4.69 PG(42:10) LipidMaps Bulk ID PG 42:5; [M-H]-@6.16 6.16 PG(42:5) LipidMaps Bulk ID PG 42:6; [M-H]-@6.04 6.04 PG(42:6) LipidMaps Bulk ID PG 42:7; [M-H]-@5.66 5.66 PG(42:7) LipidMaps Bulk ID PG 42:8; [M-H]-@5.27 5.27 PG(42:8) LipidMaps Bulk ID PG 42:9; [M-H]-@4.93 4.93 PG(42:9) LipidMaps Bulk ID PG 44:10; [M-H]-@5.30 5.3 PG(44:10) LipidMaps Bulk ID PG 44:11; [M-H]-@4.92 4.92 PG 44:11 LipidBLAST PG 44:12; [M-H]-@4.51 4.51 52927240 LMGP04010977 LipidMaps PG 44:8; [M-H]-@5.87 5.87 PG(44:8) LipidMaps Bulk ID PI 22:1; [M-H]-@2.83 2.83 PI 22:1 LipidBLAST PI 23:0; [M-H]-@2.51 2.51 PI 23:0 LipidBLAST PI 32:1; [M-H]-@5.09 5.09 PI(32:1) LipidMaps Bulk ID PI 34:1; [M-H]-@5.72 5.72 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.23 5.23 PI(34:2) LipidMaps Bulk ID PI 34:3; [M-H]-@5.04 5.04 PI(34:3) LipidMaps Bulk ID PI 36:1; [M-H]-@6.34 6.34 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.92 5.92 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.68 5.68 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.26 5.26 PI(36:4) LipidMaps Bulk ID PI 38:2; [M-H]-@6.56 6.56 PI(38:2) LipidMaps Bulk ID PI 38:3; [M-H]-@6.20 6.2 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.78 5.78 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.38 5.38 PI(38:5) LipidMaps Bulk ID PI 38:6; [M-H]-@5.09 5.09 PI(38:6) LipidMaps Bulk ID PI 39:4; [M-H]-@6.15 6.15 PI(39:4) LipidMaps Bulk ID PI 40:4; [M-H]-@6.24 6.24 PI(40:4) LipidMaps Bulk ID PI 40:5; [M-H]-@6.13 6.13 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.77 5.77 PI(40:6) LipidMaps Bulk ID PI 40:7; [M-H]-@5.26 5.26 PI(40:7) LipidMaps Bulk ID PI 5:0; [M-H]-@6.16 6.16 PI 5:0 LipidBLAST PI 5:0; [M-H]-@5.38 6.16 PI 5:0 LipidBLAST PS 32:1; [M-H]-@5.17 5.17 PS(32:1) LipidMaps Bulk ID PS 34:1; [M-H]-@5.84 5.84 PS(34:1) LipidMaps Bulk ID PS 34:2; [M-H]-@5.39 5.39 PS(34:2) LipidMaps Bulk ID PS 36:2; [M-H]-@5.94 5.94 PS(36:2) LipidMaps Bulk ID PS 36:3; [M-H]-@5.69 5.69 PS(36:3) LipidMaps Bulk ID PS 36:4; [M-H]-@5.34 5.34 PS(36:4) LipidMaps Bulk ID PS 38:2; [M-H]-@6.47 6.47 PS(38:2) LipidMaps Bulk ID PS 38:3; [M-H]-@6.33 6.33 PS(38:3) LipidMaps Bulk ID PS 38:4; [M-H]-@5.96 5.96 PS(38:4) LipidMaps Bulk ID PS 38:5; [M-H]-@5.48 5.48 PS(38:5) LipidMaps Bulk ID PS 38:6; [M-H]-@5.21 5.21 PS(38:6) LipidMaps Bulk ID PS 39:4; [M-H]-@6.13 6.13 PS(39:4) LipidMaps Bulk ID PS 40:4; [M-H]-@6.42 6.42 PS(40:4) LipidMaps Bulk ID PS 40:5; [M-H]-@6.20 6.2 PS(40:5) LipidMaps Bulk ID PS 40:6; [M-H]-@5.90 5.9 PS(40:6) LipidMaps Bulk ID PS 40:7; [M-H]-@5.38 5.38 PS(40:7) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.82 1.82 LPE(16:0) LipidMaps Bulk ID lysoPE 16:1; [M-H]-@1.22 1.22 LPE(16:1) LipidMaps Bulk ID lysoPE 17:0; [M-H]-@2.10 2.1 52925149 LMGP02050030 LipidMaps lysoPE 18:0; [M-H]-@2.17 2.59 LPE(18:0) LipidMaps Bulk ID lysoPE 18:0; [M-H]-@2.59 2.59 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.96 1.96 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M-H]-@1.45 1.45 LPE(18:2) LipidMaps Bulk ID lysoPE 18:3; [M-H]-@1.17 1.17 LPE(18:3) LipidMaps Bulk ID lysoPE 19:0; [M-H]-@2.89 2.89 52925147 LMGP02050028 LipidMaps lysoPE 20:1; [M-H]-@2.74 2.74 LPE(20:1) LipidMaps Bulk ID lysoPE 20:2; [M-H]-@2.13 2.13 LPE(20:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.57 1.57 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.38 1.38 LPE(20:4) LipidMaps Bulk ID lysoPE 20:5; [M-H]-@1.08 1.08 LPE(20:5) LipidMaps Bulk ID lysoPE 22:0; [M-H]-@4.46 4.46 LPE(22:0) LipidMaps Bulk ID lysoPE 22:1; [M-H]-@3.62 3.62 LPE(22:1) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.90 1.9 LPE(22:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.63 1.63 LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.31 1.31 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.19 7.19 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.70 6.7 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.26 7.26 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.83 6.83 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.61 6.61 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@6.70 7.84 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.84 7.84 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.41 7.41 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@7.04 7.04 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:4; [M-H]-@6.79 6.79 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.42 6.42 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.38 8.38 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@8.00 8 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.72 7.72 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@6.19 7.35 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.35 7.35 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.82 6.82 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M-H]-@6.69 6.69 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@8.29 8.29 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.94 7.94 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@6.77 7.94 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.55 7.55 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.29 7.29 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@8.00 8 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.85 7.85 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END