Mercurial > repos > mmonsoor > camera_combinexsannos
view test-data/xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv @ 3:4ca5c7bbc6cf draft
planemo upload
author | lecorguille |
---|---|
date | Mon, 22 Feb 2016 16:49:04 -0500 |
parents | 0c730c636867 |
children |
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name mz mzmin mzmax rt rtmin rtmax npeaks bio blank isotopes adduct pcgroup isotopes.1 adduct.1 pcgroup.1 neg. Mode P.fold P.tstat P.pvalue N.fold N.tstat N.pvalue M100T333 99.7608703656017 99.7579925622581 99.7637481689453 333.27937598949 328.522653453703 338.036098525276 2 2 0 2685 [M+H]+ 98.7536 2685 Found [M+H]+/[M-H]- Inf -1.55778367320295 0.194281864373894 Inf -1.55778367320295 0.194281864373894 M105T334 104.969993591309 104.969123840332 104.974052429199 334.478718537907 324.592900472048 337.651441387759 3 3 0 447 [M+H]+ 103.963 447 Found [M+H]+/[M-H]- Inf -2.22723998769578 0.0898860418679983 Inf -2.22723998769578 0.0898860418679983 M105T351 105.068378448486 105.067970275879 105.068786621094 351.386774186232 347.221611236822 355.551937135641 2 2 0 3997 [M+H]+ 104.061 3997 Found [M+H]+/[M-H]- Inf -1.59651904953616 0.185608721674373 Inf -1.59651904953616 0.185608721674373 M105T50 104.953605944178 104.953545099449 104.953649972076 50.3907155634095 49.6178104857725 50.9443283160701 9 5 4 2764 [M+H]+ 103.946 2764 Found [M+H]+/[M-H]- 10.5982737604496 -4.05989724028937 0.0149522950904051 10.5982737604496 -4.05989724028937 0.0149522950904051 M107T612 106.961769104004 106.957008361816 106.966850280762 612.036721541263 601.253270307699 622.647860267903 4 2 1 788 [M+H]+ 105.954 788 Found [M+H]+/[M-H]- 1.61172067848418 -0.435354993611172 0.676729042644553 1.61172067848418 -0.435354993611172 0.676729042644553 M108T158 107.96764755249 107.966781616211 107.96851348877 157.956646561526 155.536586952915 160.376706170137 2 2 0 2023 [M+H]+ 106.96 2023 Found [M+H]+/[M-H]- Inf -1.60266546596844 0.184269691166154 Inf -1.60266546596844 0.184269691166154 M109T449 108.816116377336 108.814308255161 108.817924499512 448.912893881038 444.074090249992 453.751697512084 2 0 2 3088 [M+H]+ 107.809 3088 Found [M+H]+/[M-H]- 6.03160239028391 1.10590709850315 0.342684415671412 6.03160239028391 1.10590709850315 0.342684415671412 M111T338 111.044788224338 111.044772467703 111.044904694196 338.333820229404 334.093721862283 339.181512181095 5 4 0 4073 [M+H]+ 110.038 4073 Found [M+H]+/[M-H]- Inf -3.36915704173404 0.0280656260833783 Inf -3.36915704173404 0.0280656260833783 M111T51 110.898692794353 110.898632566322 110.898796114692 51.2816141527486 50.8226098386928 52.1310769607387 7 5 2 [M+K]+ 71.9347 [M+2K]2+ 143.871 63 [M+H]+ 109.891 63 Found [M+H]+/[M-H]- 107.234435520687 -4.24543895866595 0.0131782897563633 107.234435520687 -4.24543895866595 0.0131782897563633 M112T292 112.051302298222 112.051191770866 112.051437223534 292.479304705274 281.990468509378 306.031931766139 5 3 0 4962 [M+H]+ 111.044 4962 Found [M+H]+/[M-H]- 3.11039852357677 -2.54193654908641 0.0575392267614276 3.11039852357677 -2.54193654908641 0.0575392267614276 M112T54 112.034626289918 112.034597639046 112.034654940791 54.2708182035323 54.189059479882 54.3525769271825 2 2 0 1882 [M+H]+ 111.027 1882 Found [M+H]+/[M-H]- Inf -1.43289475153763 0.22517090560669 Inf -1.43289475153763 0.22517090560669 M115T362 115.384078451829 115.37760925293 115.386878791104 361.822851128408 349.607330357367 373.480686196319 4 3 0 4461 [M+H]+ 114.377 4461 Found [M+H]+/[M-H]- 6.1389696929279 -2.3140345769744 0.0614626991247251 6.1389696929279 -2.3140345769744 0.0614626991247251 M117T1003 116.986084037063 116.985864459183 116.986171601532 1003.08654761905 1002.26449783404 1003.37086206897 6 4 2 56 [M+H]+ 115.979 56 Found [M+H]+/[M-H]- 1.16186314694844 -0.431871845029389 0.68206694932652 1.16186314694844 -0.431871845029389 0.68206694932652 M117T334 117.055379354362 117.055256466333 117.055456904176 333.599102436066 323.266073818252 345.570157046166 6 0 4 329 [M+H]+ 116.048 329 Found [M+H]+/[M-H]- 1.04067368497756 0.112630170269711 0.91507328485967 1.04067368497756 0.112630170269711 0.91507328485967 M117T63 117.019027709961 117.018931618196 117.020763384489 62.5229250816841 47.7978384913575 66.9158144421358 11 5 2 210 [M+H]+ 116.012 210 Found [M+H]+/[M-H]- 77.7397680528909 -2.1046737248142 0.103084374575599 77.7397680528909 -2.1046737248142 0.103084374575599 M118T444 117.900756835938 117.899368286133 117.902145385742 444.09017298736 440.152765514751 448.027580459969 2 0 2 4778 [M+H]+ 116.893 4778 Found [M+H]+/[M-H]- Inf 1.62926956717938 0.201745058102972 Inf 1.62926956717938 0.201745058102972 M118T52 118.050771254242 118.050716263351 118.050826245133 51.9092827440143 51.7417665352975 52.0767989527311 2 2 0 3635 [M+H]+ 117.043 3635 Found [M+H]+/[M-H]- Inf -1.63276500138102 0.177855532756621 Inf -1.63276500138102 0.177855532756621 M119T588 119.034491407873 119.034438507734 119.034544308012 588.443296297096 587.450183024046 589.436409570146 2 0 2 6902 [M+H]+ 118.027 6902 Found [M+H]+/[M-H]- 1.29188326021516 0.492903265465787 0.637674164604189 1.29188326021516 0.492903265465787 0.637674164604189 M120T374 120.296531336844 120.294543740951 120.300170898438 373.955253492993 369.741099915322 374.11802519358 3 3 0 791 [M+H]+ 119.289 791 Found [M+H]+/[M-H]- Inf -2.28246504732348 0.0845563729403811 Inf -2.28246504732348 0.0845563729403811 M121T50 120.927435251799 120.927348880511 120.927500698792 50.3979561581367 50.2486370794436 51.4610251394509 6 5 1 [M+Na]+ 97.9384 [M+H-H20]+ 137.93 [M+2Na+2K-H]3+ 239.873 97 [M+H]+ 119.92 97 Found [M+H]+/[M-H]- 59.0354056409205 -3.52744682780411 0.0242508068880811 59.0354056409205 -3.52744682780411 0.0242508068880811 M126T423 126.46662902832 126.462982177734 126.470275878906 422.778310801551 422.212797352317 423.343824250785 2 0 2 5343 [M+H]+ 125.459 5343 Found [M+H]+/[M-H]- Inf 1.63743531816066 0.200063334997047 Inf 1.63743531816066 0.200063334997047 M127T55 126.986973508194 126.986758670989 126.987066175302 54.6452559406513 53.8127633252437 62.8878423907335 3 3 0 1884 [M+H]+ 125.98 1884 Found [M+H]+/[M-H]- 13.0420999786089 -3.97543345722434 0.010838746312483 13.0420999786089 -3.97543345722434 0.010838746312483 M128T1006 127.869953610333 127.869890080824 127.869968822036 1006.40509191021 1006.37336701989 1006.6178647063 3 0 3 4544 [M+H]+ 126.863 4544 Found [M+H]+/[M-H]- 1.80574820595387 1.21321163881188 0.30820103952656 1.80574820595387 1.21321163881188 0.30820103952656 M128T64 128.035020058651 128.034965822483 128.035141652014 63.6533363151945 63.1626322142383 66.6642678290971 9 5 4 [M+Na+NH3]+ 88.0182 7 [M+Na+NH3]+ 88.0182 [M+H]+ 127.028 7 Found [M+H]+/[M-H]- 18.5426196245452 -4.16544439294312 0.0139978516451937 18.5426196245452 -4.16544439294312 0.0139978516451937 M129T345 129.055398663229 129.055332831894 129.055466170614 344.741618902136 334.304607754623 363.919207435608 9 5 2 [M+H-CH4]+ 144.071 4291 [M+H]+ 128.048 4291 Found [M+H]+/[M-H]- 42.5892592547163 -2.81229833438726 0.0480953617357365 42.5892592547163 -2.81229833438726 0.0480953617357365 M130T63 130.051530987929 130.050779331768 130.055761527037 63.4022475188158 55.7986890529763 66.7511302266809 3 1 2 1533 [M+H]+ 129.044 1533 Found [M+H]+/[M-H]- 8.65318290665029 -2.67591496752908 0.0505681308103421 8.65318290665029 -2.67591496752908 0.0505681308103421 M131T326 131.070309588923 131.066920275534 131.076192957496 325.955619348164 320.728547970968 333.084867824595 7 4 1 4562 [M+H]+ 130.063 4562 Found [M+H]+/[M-H]- 2.54539651050037 -1.99397568838433 0.0931221308314498 2.54539651050037 -1.99397568838433 0.0931221308314498 M131T346 131.070979826573 131.068144442247 131.073692789936 346.420153271468 341.401123350606 351.65901297607 9 4 2 1405 [M+H]+ 130.064 1405 Found [M+H]+/[M-H]- 2.92720548324088 -1.28049611560764 0.257120922142787 2.92720548324088 -1.28049611560764 0.257120922142787 M131T458 131.077134984569 131.07243579215 131.078732582138 457.629578121171 439.536144595241 478.828571395519 13 4 3 2932 [M+H]+ 130.07 2932 Found [M+H]+/[M-H]- 1.26711539526503 -0.440641854605788 0.673269133653912 1.26711539526503 -0.440641854605788 0.673269133653912 M131T47 130.961745088661 130.957293616402 130.966001667267 46.84814628141 44.1306749433932 49.2593476527647 12 4 4 6302 [M+H]+ 129.954 6302 Found [M+H]+/[M-H]- 1.94444734593006 -1.12155635750653 0.306831848217841 1.94444734593006 -1.12155635750653 0.306831848217841 M132T398_1 131.994283768895 131.99422107439 131.994346463401 398.060172341226 397.965826918125 398.154517764328 2 2 0 212 [M+H]+ 130.987 212 Found [M+H]+/[M-H]- Inf -1.59732066862022 0.185433514983293 Inf -1.59732066862022 0.185433514983293 M133T286 133.038728757304 133.037679854335 133.038928784887 286.118752323255 281.455680671667 287.966026214311 3 2 0 [M+K+HCOOH]+ 48.078 [M+Na+HCOOH]+ 64.0519 [M+H+HCOOH]+ 86.0348 65 [M+H]+ 132.031 65 Found [M+H]+/[M-H]- Inf -2.609957095816 0.0594226648046474 Inf -2.609957095816 0.0594226648046474 M134T348 134.060923348641 134.060808112541 134.061001992501 348.18073555881 347.22045784934 349.627140946887 7 5 2 [M+H-CO2]+ 177.043 3 [M+H]+ 133.054 3 Found [M+H]+/[M-H]- 124.488601507989 -6.31603315679794 0.00319529268697183 124.488601507989 -6.31603315679794 0.00319529268697183 M135T1004 134.864430121053 134.864327949661 134.8648378112 1003.89064650324 990.644653033812 1004.37721145842 8 5 3 2216 [M+H]+ 133.857 2216 Found [M+H]+/[M-H]- 1.11040350114261 -0.5173286944778 0.626952852486079 1.11040350114261 -0.5173286944778 0.626952852486079 M135T41 134.990778305324 134.987696110915 134.993102756894 40.9311031385755 29.9235837240032 42.9230495622039 6 2 3 1097 [M+H]+ 133.984 1097 Found [M+H]+/[M-H]- 1.52746415923071 1.59134566084756 0.155565536333115 1.52746415923071 1.59134566084756 0.155565536333115 M137T1000 136.891553056599 136.891434886565 136.891665037168 999.70097392354 998.222575676063 1001.73511814334 4 1 3 5635 [M+H]+ 135.884 5635 Found [M+H]+/[M-H]- 1.9162850016117 1.78644683684164 0.154118246090804 1.9162850016117 1.78644683684164 0.154118246090804 M137T1005 136.862995969567 136.862988638427 136.863026655534 1004.60609449588 1003.60096153846 1004.66336564583 3 1 2 56 [M+H]+ 135.856 56 Found [M+H]+/[M-H]- 1.05654690070473 -0.208998996552518 0.84437097746135 1.05654690070473 -0.208998996552518 0.84437097746135 M139T67 138.945255511654 138.943046513068 138.94746451024 67.0329639716475 64.8579223264565 69.2080056168385 2 2 0 8460 [M+H]+ 137.938 8460 Found [M+H]+/[M-H]- Inf -1.58202448480013 0.188806435077481 Inf -1.58202448480013 0.188806435077481 M141T50 140.917883976179 140.917796383474 140.917971568883 50.390201600718 49.9482648563086 50.8321383451274 2 2 0 [M+H]+ 139.917 2762 [M+H]+ 139.917 2762 Found [M+H]+/[M-H]- 2.14238679785595 -0.753989601737426 0.48094589588872 2.14238679785595 -0.753989601737426 0.48094589588872 M144T243 144.066230662417 144.066202900308 144.066305981373 242.840740374997 241.45101409851 243.863881489117 5 5 0 211 [M+H]+ 143.059 211 Found [M+H]+/[M-H]- Inf -2.47621951334645 0.068488172806159 Inf -2.47621951334645 0.068488172806159 M144T420 144.098989856536 144.093312641142 144.101170339491 420.461230277245 409.452019063329 427.792565046625 5 2 2 4324 [M+H]+ 143.092 4324 Found [M+H]+/[M-H]- 1.55013960512658 -0.493886623933053 0.638035716650636 1.55013960512658 -0.493886623933053 0.638035716650636 M144T424 144.305419921875 144.298263549805 144.306442260742 424.192396362563 419.42296166957 435.582691702373 3 2 1 3300 [M+H]+ 143.298 3300 Found [M+H]+/[M-H]- 2.38982161507341 -0.778077210649602 0.463338790873194 2.38982161507341 -0.778077210649602 0.463338790873194 M148T275 148.069242770432 148.069224876009 148.069260664856 274.669457748574 273.444313134643 275.894602362504 2 2 0 1843 [M+H]+ 147.062 1843 Found [M+H]+/[M-H]- Inf -1.59893348491551 0.185081526517981 Inf -1.59893348491551 0.185081526517981 M148T55 148.028039505715 148.027427959789 148.028116093531 54.7104706698321 54.0985889699318 55.158247724481 8 5 3 [M+K]+ 109.06 [M+Na]+ 125.034 [M+H]+ 147.017 [M+H-NH3]+ 164.037 29 [M+H]+ 147.017 29 Found [M+H]+/[M-H]- 147.73841636919 -4.11564321418811 0.0146496931168714 147.73841636919 -4.11564321418811 0.0146496931168714 M150T55 150.02504587463 150.024967922366 150.025146484375 54.6738772471652 54.1449471382784 54.8756850457646 5 5 0 [M+H-CH3]+ 164.037 29 [M+H]+ 149.018 29 Found [M+H]+/[M-H]- 377.280107224482 -2.96904594821988 0.0411798634006089 377.280107224482 -2.96904594821988 0.0411798634006089 M151T44 150.946501064459 150.946441650391 150.946661541464 44.2171624057189 43.488725628069 51.5695720714311 6 5 1 7149 [M+H]+ 149.939 7149 Found [M+H]+/[M-H]- 3.28184377973186 -2.28780295039119 0.0705316014797823 3.28184377973186 -2.28780295039119 0.0705316014797823 M152T53 152.022863297226 152.022829387319 152.023164402912 53.4691922554691 53.3051506388148 53.7035746392664 4 4 0 1869 [M+H]+ 151.016 1869 Found [M+H]+/[M-H]- Inf -2.18947116215313 0.0937474064415085 Inf -2.18947116215313 0.0937474064415085 M153T52 152.883377417484 152.883335249307 152.883458127134 51.6750944685698 50.8226098386928 52.1310769607387 7 5 2 179 [M+H]+ 151.876 179 Found [M+H]+/[M-H]- 61.8383845300537 -3.91372475798029 0.0172644637503492 61.8383845300537 -3.91372475798029 0.0172644637503492 M157T461 157.086574190412 157.08648235466 157.086666026164 460.633000208939 460.207931136264 461.058069281613 2 2 0 268 [M+H]+ 156.079 268 Found [M+H]+/[M-H]- Inf -1.38712594836643 0.237690630843018 Inf -1.38712594836643 0.237690630843018 M157T52 156.924736138035 156.923762460111 156.925162382503 52.1310769607387 49.9482648563086 57.3407858532816 5 2 2 [M+Na]+ 133.931 179 [M+H]+ 155.917 179 Found [M+H]+/[M-H]- 66.4785536455539 -3.64572578299694 0.0217883405204051 66.4785536455539 -3.64572578299694 0.0217883405204051 M157T62 157.008391179249 157.008257633952 157.010193003089 61.6702972346719 60.9465281683414 68.2185181602868 6 5 0 6894 [M+H]+ 156.001 6894 Found [M+H]+/[M-H]- Inf -2.74346842309402 0.0517205997612797 Inf -2.74346842309402 0.0517205997612797 M159T45 158.978157355971 158.978111964659 158.978221760564 45.363239380073 45.1329789604735 45.5285035427475 9 5 4 [8][M]+ [M+Na]+ 135.991 101 [8][M]+ [M+H]+ 157.971 101 Found [M+H]+/[M-H]- 2.18057386593541 -4.15882880556464 0.00535827555529811 2.18057386593541 -4.15882880556464 0.00535827555529811 M159T54 159.023987626056 159.023961573013 159.024097012528 53.6418029515896 52.8917295515643 53.8127633252437 5 5 0 1874 [M+H]+ 158.017 1874 Found [M+H]+/[M-H]- Inf -4.82022204988194 0.00852164453046855 Inf -4.82022204988194 0.00852164453046855 M159T64 159.029632835346 159.029511113831 159.029801953881 63.5089863560297 62.9189789793435 68.715609541673 5 4 0 [M+H]+ 158.025 7 [M+H]+ 158.025 7 Found [M+H]+/[M-H]- Inf -2.26712830995004 0.0860000544314143 Inf -2.26712830995004 0.0860000544314143 M161T53 160.841702437911 160.841609210903 160.841708588409 52.8500773722943 51.7944151023409 53.4818252077471 5 2 3 2718 [M+H]+ 159.834 2718 Found [M+H]+/[M-H]- 4.5797643435196 2.43785004081988 0.0782828786200218 4.5797643435196 2.43785004081988 0.0782828786200218 M161T549 160.841523493186 160.841497264539 160.841549721833 549.447424809129 549.425362095573 549.469487522685 2 2 0 178 [M+H]+ 159.834 178 Found [M+H]+/[M-H]- 2.03010180583923 -3.67843784870659 0.0093770571035483 2.03010180583923 -3.67843784870659 0.0093770571035483 M162T569 161.848003336003 161.841918945312 161.849532314775 569.296571292691 555.550803741923 581.082748649951 10 4 2 375 [M+H]+ 160.841 375 Found [M+H]+/[M-H]- 1.11083651342001 -0.24690002490775 0.81785486854068 1.11083651342001 -0.24690002490775 0.81785486854068 M163T345 162.838633067608 162.838565146997 162.838708714629 344.761256993116 342.082223813115 351.957921896798 5 4 0 242 [M+H]+ 161.831 242 Found [M+H]+/[M-H]- 1.14519791751877 0.616883136071403 0.563834181693991 1.14519791751877 0.616883136071403 0.563834181693991 M163T440 162.83859045497 162.838526980545 162.838664568993 439.957177753077 430.270060840519 447.444378679487 9 3 3 308 [M+H]+ 161.831 308 Found [M+H]+/[M-H]- 1.02903922121374 0.202909448741836 0.845924012741649 1.02903922121374 0.202909448741836 0.845924012741649 M163T493 162.838590608132 162.838471767198 162.838601638216 492.620277094233 479.856632464371 494.188253922579 4 3 0 1705 [M+H]+ 161.831 1705 Found [M+H]+/[M-H]- 2.31713363931985 -4.5145252420851 0.0104406893160305 2.31713363931985 -4.5145252420851 0.0104406893160305 M163T51 162.912134733135 162.912098338394 162.912243357984 50.8199609995377 50.740921898288 50.8321383451274 4 4 0 5844 [M+H]+ 161.905 5844 Found [M+H]+/[M-H]- 141.48482334005 -2.63408431994343 0.0578962682667783 141.48482334005 -2.63408431994343 0.0578962682667783 M163T518 162.838547127928 162.838522219402 162.838557933059 517.817542950916 512.900195107525 522.604942709733 4 2 0 5256 [M+H]+ 161.831 5256 Found [M+H]+/[M-H]- 1.92836509720571 -2.5814951650436 0.0549996011499907 1.92836509720571 -2.5814951650436 0.0549996011499907 M163T53 162.838697112925 162.838632675113 162.838740879287 52.8818716076971 51.7944151023409 53.4818252077471 4 1 3 2723 [M+H]+ 161.831 2723 Found [M+H]+/[M-H]- 5.75916178854117 2.54729937009499 0.0774658695461379 5.75916178854117 2.54729937009499 0.0774658695461379 M164T660 163.84659093972 163.846242679558 163.846613280934 659.749042454482 651.604152108083 661.816271182784 3 3 0 1189 [M+H]+ 162.839 1189 Found [M+H]+/[M-H]- 3.53472490669514 -2.27427700854909 0.0598302652768068 3.53472490669514 -2.27427700854909 0.0598302652768068 M165T345 164.835662440086 164.834976196289 164.83574016327 344.781843560527 342.280227421693 345.061771676041 3 3 0 4308 [M+H]+ 163.828 4308 Found [M+H]+/[M-H]- 1.8013395262276 1.40419954340236 0.228489676705711 1.8013395262276 1.40419954340236 0.228489676705711 M165T442 164.835628198325 164.834854125977 164.835735276818 441.6829527576 428.586284693275 448.159492643756 7 4 3 5040 [M+H]+ 163.828 5040 Found [M+H]+/[M-H]- 1.00079706795668 -0.00272770369066684 0.997935484591824 1.00079706795668 -0.00272770369066684 0.997935484591824 M165T53 164.835716547425 164.835674470465 164.835758624385 52.8818716076971 52.8500773722943 52.9136658431 2 0 2 2724 [M+H]+ 163.828 2724 Found [M+H]+/[M-H]- 7.73641865304111 2.37456222989657 0.0924654598251504 7.73641865304111 2.37456222989657 0.0924654598251504 M167T1005 166.923866240613 166.923788861984 166.924018059429 1005.35481653051 1004.96149576641 1006.05998626337 8 5 3 6428 [M+H]+ 165.917 6428 Found [M+H]+/[M-H]- 1.43550722766758 -2.05592901451705 0.084877536410046 1.43550722766758 -2.05592901451705 0.084877536410046 M167T424 166.96354675293 166.957183837891 166.966644287109 424.192396362563 412.303173613619 428.238911275242 3 2 0 3301 [M+H]+ 165.956 3301 Found [M+H]+/[M-H]- 5.16416814812837 -1.25544250177024 0.267235698642965 5.16416814812837 -1.25544250177024 0.267235698642965 M167T45 166.923832324788 166.922034339827 166.92410522056 45.1532113460531 44.7576272313087 51.4610251394509 7 2 3 2836 [M+H]+ 165.917 2836 Found [M+H]+/[M-H]- 1.52787685843647 1.75499995445008 0.141522182465038 1.52787685843647 1.75499995445008 0.141522182465038 M167T51 166.860162104787 166.860038297163 166.860225726073 51.2879696237028 50.8226098386928 51.7612360112204 5 5 0 [2M+Na]+ 71.9347 [M+Na]+ 143.871 63 [M+H]+ 165.853 63 Found [M+H]+/[M-H]- 591.819113001319 -4.27312209771816 0.0129151262674188 591.819113001319 -4.27312209771816 0.0129151262674188 M168T59 168.013287540169 168.012338861202 168.013493859941 59.2609104809437 58.9085647946475 60.0540724307638 4 4 0 [M+K]+ 129.049 235 [M+H]+ 167.006 235 Found [M+H]+/[M-H]- Inf -4.88682545977375 0.00812058156755668 Inf -4.88682545977375 0.00812058156755668 M169T51 168.857211073076 168.85713309822 168.857261967212 51.0199598721004 50.8226098386928 51.7612360112204 4 4 0 63 [M+H]+ 167.85 63 Found [M+H]+/[M-H]- 269.695437916762 -4.34267555901001 0.0122190390050283 269.695437916762 -4.34267555901001 0.0122190390050283 M169T59 169.061391835118 169.061381850646 169.06140181959 58.9569135943942 58.9085647946475 59.0052623941409 2 2 0 [M+Na+NH3]+ 129.049 235 [M+H]+ 168.054 235 Found [M+H]+/[M-H]- Inf -1.61515456468833 0.181579614574865 Inf -1.61515456468833 0.181579614574865 M169T81 169.024402080375 169.024095736746 169.024708424004 80.9647472833241 79.3126946708263 82.6167998958218 2 2 0 1559 [M+H]+ 168.017 1559 Found [M+H]+/[M-H]- Inf -2.06687464377828 0.107610555239984 Inf -2.06687464377828 0.107610555239984 M173T51 172.898835931138 172.898755525233 172.90495300293 51.2077813990735 38.5346612439157 51.7944151023409 5 4 1 2332 [M+H]+ 171.892 2332 Found [M+H]+/[M-H]- 197.565805434942 -5.40361720528754 0.00565402614830268 197.565805434942 -5.40361720528754 0.00565402614830268 M173T58 173.039650389654 173.03911097183 173.039714007903 58.0248070248356 57.3407858532816 59.0766980845476 3 3 0 [M+K]+ 134.071 234 [M+H]+ 172.032 234 Found [M+H]+/[M-H]- Inf -2.0432079813511 0.110539848177298 Inf -2.0432079813511 0.110539848177298 M175T332 175.060634136549 175.060535421463 175.060752889047 331.937772724811 325.220869202099 333.084867824595 6 5 0 2118 [M+H]+ 174.053 2118 Found [M+H]+/[M-H]- Inf -1.64902108774379 0.174488418029989 Inf -1.64902108774379 0.174488418029989 M175T45 174.955565028723 174.955507611851 174.955643621135 45.363239380073 45.1329789604735 45.5285035427475 9 5 4 [15][M]+ [M+K]+ 135.991 101 [15][M]+ [M+H]+ 173.948 101 Found [M+H]+/[M-H]- 1.01528590924086 -0.0724748374228394 0.944261318272352 1.01528590924086 -0.0724748374228394 0.944261318272352 M175T62 175.024319044715 175.019196258498 175.024405332481 62.427203789073 62.0251606557298 63.6321856153795 5 5 0 3964 [M+H]+ 174.017 3964 Found [M+H]+/[M-H]- 277.472352977641 -8.16049645486189 0.00121837489611965 277.472352977641 -8.16049645486189 0.00121837489611965 M176T308 176.03821802716 176.038150493542 176.038285560778 307.961624623304 307.492150844486 308.431098402121 2 2 0 6592 [M+H]+ 175.031 6592 Found [M+H]+/[M-H]- Inf -1.51046683507407 0.205443768027525 Inf -1.51046683507407 0.205443768027525 M176T78 175.982752802584 175.982051370194 175.983454234974 78.1217930464421 75.9093387102578 80.3342473826264 2 2 0 8195 [M+H]+ 174.975 8195 Found [M+H]+/[M-H]- Inf -1.90564109177252 0.129394382591124 Inf -1.90564109177252 0.129394382591124 M177T332 177.064769739043 177.064616645123 177.067352294922 331.96320101135 328.451953316616 333.084867824595 3 2 1 2118 [M+H]+ 176.057 2118 Found [M+H]+/[M-H]- 8.46267009087076 -1.42939209352343 0.224360070429674 8.46267009087076 -1.42939209352343 0.224360070429674 M177T60 177.040037906843 177.039955515908 177.040113449867 60.4608947207812 55.5721382107767 61.541326497689 7 5 0 2600 [M+H]+ 176.033 2600 Found [M+H]+/[M-H]- 645.849237141489 -4.54271728868636 0.0104743940210175 645.849237141489 -4.54271728868636 0.0104743940210175 M179T50 178.886480306966 178.885965155202 178.886947573271 50.3907155634095 50.2486370794436 50.8321383451274 5 5 0 [M+K]+ 139.917 2762 [M+K]+ 139.917 [M+H]+ 177.879 2762 Found [M+H]+/[M-H]- Inf -3.1385276606727 0.0348971916084262 Inf -3.1385276606727 0.0348971916084262 M181T1005 180.972783920575 180.972736347574 180.9729538027 1004.64107608137 1003.79 1010.85019628839 8 4 3 [M+H+Na]2+ 337.947 2213 [M+H]+ 179.966 2213 Found [M+H]+/[M-H]- 1.15300978239872 -0.668302156953551 0.538759807135472 1.15300978239872 -0.668302156953551 0.538759807135472 M181T49 180.920912502333 180.920832535925 180.923797533306 48.859873783924 48.0328368453438 60.5025054312122 4 4 0 2256 [M+H]+ 179.914 2256 Found [M+H]+/[M-H]- Inf -2.22159960443763 0.0904512398100774 Inf -2.22159960443763 0.0904512398100774 M183T1011 182.896124421192 182.895879522044 182.896251544861 1011.43194493389 1008.93059119095 1022.43915227192 4 3 1 7241 [M+H]+ 181.889 7241 Found [M+H]+/[M-H]- 1.29822673662302 0.553159159614295 0.601103682923903 1.29822673662302 0.553159159614295 0.601103682923903 M183T244 183.039996070905 183.039858432163 183.040133709647 243.759327007332 243.014369687444 244.50428432722 2 2 0 7269 [M+H]+ 182.033 7269 Found [M+H]+/[M-H]- Inf -1.80233791890638 0.14584113173521 Inf -1.80233791890638 0.14584113173521 M183T323 183.053824125907 183.053717187212 183.053862687844 322.534987011238 321.741888279205 323.232149681912 4 4 0 1926 [M+H]+ 182.047 1926 Found [M+H]+/[M-H]- Inf -2.82197748024101 0.0477321468690488 Inf -2.82197748024101 0.0477321468690488 M185T395_2 185.08134711421 185.081289993385 185.081459903317 394.535544195941 393.879008003597 395.617048434843 5 5 0 2061 [M+H]+ 184.074 2061 Found [M+H]+/[M-H]- Inf -2.27726893797786 0.0850424231899611 Inf -2.27726893797786 0.0850424231899611 M185T52 184.830607546079 184.824790855355 184.83116111076 52.3222462373176 50.8226098386928 66.7424810025036 10 5 2 94 [M+H]+ 183.823 94 Found [M+H]+/[M-H]- 10.7420821413654 -3.28212996661915 0.0295844872898281 10.7420821413654 -3.28212996661915 0.0295844872898281 M188T323 188.034679038014 188.034598194512 188.035199184134 323.21247404919 312.099095017365 323.922778101955 6 5 0 2569 [M+H]+ 187.027 2569 Found [M+H]+/[M-H]- Inf -2.51740969828161 0.0655374284434069 Inf -2.51740969828161 0.0655374284434069 M189T318 189.087961572707 189.087880424779 189.09012601719 317.530975692436 317.299002495403 318.561197371318 3 2 1 2896 [M+H]+ 188.081 2896 Found [M+H]+/[M-H]- 1.52094337258848 -1.0715072238661 0.319522698774575 1.52094337258848 -1.0715072238661 0.319522698774575 M189T379 189.00159126688 189.001479350323 189.001973622295 379.038187273704 374.425817901162 380.898275303696 5 5 0 [M+K]+ 150.036 12 [M+H]+ 187.994 12 Found [M+H]+/[M-H]- Inf -1.71220199744268 0.162022406088649 Inf -1.71220199744268 0.162022406088649 M191T41 190.927842911073 190.927770259985 190.927935267626 41.4975992125461 41.2590798060577 42.1835644696865 9 5 4 5974 [M+H]+ 189.921 5974 Found [M+H]+/[M-H]- 1.16081494730342 -0.732875882292791 0.494937057759926 1.16081494730342 -0.732875882292791 0.494937057759926 M192T1017 191.946228027344 191.946136474609 191.946319580078 1017.13143179932 1013.66459996913 1020.59826362951 2 2 0 7256 [M+H]+ 190.939 7256 Found [M+H]+/[M-H]- Inf -1.63248296548347 0.177914544730527 Inf -1.63248296548347 0.177914544730527 M192T375 192.065946364015 192.065357944138 192.066124351151 374.971014254599 369.852862322826 381.029690175481 8 5 0 3936 [M+H]+ 191.059 3936 Found [M+H]+/[M-H]- Inf -3.70120690720594 0.0208134361342416 Inf -3.70120690720594 0.0208134361342416 M193T1012 192.92833616094 192.928263092598 192.928492338224 1011.77786795058 1005.27786341583 1017.28784326569 3 0 2 7242 [M+H]+ 191.921 7242 Found [M+H]+/[M-H]- 1.18291932486799 0.778639479820158 0.486209215354369 1.18291932486799 0.778639479820158 0.486209215354369 M193T41 192.928304547819 192.928217397193 192.928415810856 41.4413213672123 40.9410780549122 42.9230495622039 6 3 3 [3M+Na+K]2+ 107.969 [M+K+HCOOH]+ 107.969 408 [M+H]+ 191.921 408 Found [M+H]+/[M-H]- 1.22499241188649 -1.0592061592967 0.332111646190397 1.22499241188649 -1.0592061592967 0.332111646190397 M194T54 194.058600341533 194.058489369102 194.058711313964 53.9788552317611 53.8127633252437 54.1449471382784 2 2 0 1887 [M+H]+ 193.051 1887 Found [M+H]+/[M-H]- Inf -2.76323275033452 0.0506812906553671 Inf -2.76323275033452 0.0506812906553671 M195T1012 194.923656820156 194.923491349837 194.92382941477 1011.63948599468 1009.33223080971 1021.37395735788 5 2 2 592 [M+H]+ 193.916 592 Found [M+H]+/[M-H]- 1.22956840251829 0.566574107036514 0.593639891974535 1.22956840251829 0.566574107036514 0.593639891974535 M195T54_2 195.050498301617 195.050384133429 195.050534487046 54.3525769271825 53.7035746392664 55.0847877979911 3 3 0 [M+H]+ 194.044 29 [M+H]+ 194.044 29 Found [M+H]+/[M-H]- 192.32349569921 -8.79090278693371 0.000920450320925692 192.32349569921 -8.79090278693371 0.000920450320925692 M196T310 196.048678175291 196.048635573255 196.048736263686 310.009679446113 309.085629974303 310.405710365239 4 4 0 [M+2H]2+ 390.093 23 [M+2H]2+ 390.093 [M+H]+ 195.041 23 Found [M+H]+/[M-H]- Inf -3.73429357985852 0.020221168299464 Inf -3.73429357985852 0.020221168299464 M196T53_2 196.05371298862 196.053710631807 196.053744711732 53.1404004493558 52.2955414132911 53.2201329125331 3 3 0 [M+H]+ 195.053 94 [M+H]+ 195.053 94 Found [M+H]+/[M-H]- Inf -8.13458591798299 0.00124243704878491 Inf -8.13458591798299 0.00124243704878491 M196T54 196.074043240813 196.074029180126 196.074057301499 53.7138883851672 53.62608307401 53.8016936963245 2 2 0 29 [M+H]+ 195.067 29 Found [M+H]+/[M-H]- Inf -2.35207820164166 0.0783373276410222 Inf -2.35207820164166 0.0783373276410222 M197T385 197.044832221786 197.044829260467 197.044835183106 385.463724239134 384.579609979009 386.347838499259 2 2 0 2298 [M+H]+ 196.038 2298 Found [M+H]+/[M-H]- Inf -1.85300373830501 0.137510095908838 Inf -1.85300373830501 0.137510095908838 M197T66 196.922637584025 196.922466766921 196.923476668408 65.7826847852039 60.3287095204177 67.1140993637066 8 5 0 2388 [M+H]+ 195.915 2388 Found [M+H]+/[M-H]- Inf -5.32259555578641 0.00599507167612257 Inf -5.32259555578641 0.00599507167612257 M198T319 197.807273329849 197.807220114578 197.807326545121 319.364323003189 319.000559855896 319.728086150483 2 2 0 337 [M+H]+ 196.8 337 Found [M+H]+/[M-H]- 1.59417273393054 -0.956330658239252 0.391877306959682 1.59417273393054 -0.956330658239252 0.391877306959682 M198T380 197.807185556877 197.807117585589 197.807424856379 380.381853346052 371.545402090251 381.988784988073 7 5 0 1365 [M+H]+ 196.8 1365 Found [M+H]+/[M-H]- 4.34255087962174 -3.43663755019246 0.0244570393431176 4.34255087962174 -3.43663755019246 0.0244570393431176 M198T420 197.80733574591 197.80726064817 197.807410843649 420.017928824812 419.983236872474 420.052620777149 2 2 0 18 [M+H]+ 196.8 18 Found [M+H]+/[M-H]- 1.25670000810366 -0.774818634603359 0.473617221804677 1.25670000810366 -0.774818634603359 0.473617221804677 M198T442 197.807300031473 197.80717623913 197.80750440036 441.914245927405 440.075962857004 457.629578121171 7 3 4 3612 [M+H]+ 196.8 3612 Found [M+H]+/[M-H]- 1.60449242089366 -1.54385000718184 0.172795829583736 1.60449242089366 -1.54385000718184 0.172795829583736 M198T492 197.807296716224 197.807204735488 197.807334699144 492.380025130692 480.345514996581 494.188253922579 4 3 0 1702 [M+H]+ 196.8 1702 Found [M+H]+/[M-H]- 4.13111450904007 -3.49975903049059 0.0199018989835786 4.13111450904007 -3.49975903049059 0.0199018989835786 M198T53 197.807395781902 197.807336060426 197.807490196304 52.8500773722943 51.7944151023409 53.4818252077471 5 2 3 2715 [M+H]+ 196.8 2715 Found [M+H]+/[M-H]- 4.04248763432751 1.64914020622161 0.182099492229963 4.04248763432751 1.64914020622161 0.182099492229963 M198T550 197.807214369208 197.807211057074 197.80722538311 549.927842817633 549.469487522685 556.090842781325 3 2 0 5513 [M+H]+ 196.8 5513 Found [M+H]+/[M-H]- 3.29571659678827 -2.72362164559475 0.0491678927257828 3.29571659678827 -2.72362164559475 0.0491678927257828 M199T409 199.084642954318 199.084585206071 199.084700702565 409.49627953236 409.210308120246 409.782250944474 2 2 0 1754 [M+H]+ 198.077 1754 Found [M+H]+/[M-H]- Inf -1.60245547998786 0.184315272351063 Inf -1.60245547998786 0.184315272351063 M199T49 198.944505733117 198.944495563693 198.944515902541 48.5442614196086 48.3944583802121 48.6940644590051 2 2 0 2243 [M+H]+ 197.937 2243 Found [M+H]+/[M-H]- 2.06639669189988 1.82454432140006 0.126060381055401 2.06639669189988 1.82454432140006 0.126060381055401 M199T58 199.03729375893 199.037166355972 199.037374248981 58.3859161153518 58.0695170031657 59.0766980845476 5 5 0 234 [M+H]+ 198.03 234 Found [M+H]+/[M-H]- Inf -2.9014890052438 0.0440521383589889 Inf -2.9014890052438 0.0440521383589889 M200T319 199.804395122105 199.804316073295 199.804474170915 319.472312694666 319.216539238849 319.728086150483 2 2 0 337 [M+H]+ 198.797 337 Found [M+H]+/[M-H]- 7.28895730859278 -2.02019501717019 0.10824104548377 7.28895730859278 -2.02019501717019 0.10824104548377 M200T349 199.804416090728 199.804183926259 199.805053710938 348.609236995358 329.735275805962 363.444762798765 10 3 4 228 [M+H]+ 198.797 228 Found [M+H]+/[M-H]- 1.27171082747504 -0.476421265761403 0.649961339731824 1.27171082747504 -0.476421265761403 0.649961339731824 M200T379 199.804394826214 199.803931385195 199.804476303117 379.046247164045 367.733025653317 380.898275303696 8 4 3 1626 [M+H]+ 198.797 1626 Found [M+H]+/[M-H]- 4.40861957427324 -2.77017287518359 0.0494560847190579 4.40861957427324 -2.77017287518359 0.0494560847190579 M200T419 199.804369021182 199.804007330525 199.805038452148 419.240460082537 407.619609771979 428.780815032752 11 4 4 7907 [M+H]+ 198.797 7907 Found [M+H]+/[M-H]- 1.93128951039244 -1.25635501374005 0.265870616062867 1.93128951039244 -1.25635501374005 0.265870616062867 M200T442 199.804795765628 199.804128037038 199.805191040039 442.033975899249 437.087214429871 447.558481939813 6 2 3 3613 [M+H]+ 198.798 3613 Found [M+H]+/[M-H]- 1.74708453681013 -0.825208435421473 0.450903276758409 1.74708453681013 -0.825208435421473 0.450903276758409 M200T53 199.80433532545 199.804297034527 199.804447107304 52.9136658431 52.8500773722943 54.1081954019153 3 0 3 2717 [M+H]+ 198.797 2717 Found [M+H]+/[M-H]- 5.40758428462259 1.73299826535892 0.176351375718419 5.40758428462259 1.73299826535892 0.176351375718419 M201T456 201.112525539889 201.112459712482 201.112688517853 455.523048750093 454.670784606395 456.172342249748 5 5 0 3012 [M+H]+ 200.105 3012 Found [M+H]+/[M-H]- 69.0079086332186 -2.26479824124886 0.0862100615973271 69.0079086332186 -2.26479824124886 0.0862100615973271 M201T49 200.964748078077 200.964670244248 200.964913045573 48.8689992722351 47.0834090083019 49.0320531049294 5 1 4 2966 [M+H]+ 199.957 [M+H]+ 199.957 2966 Found [M+H]+/[M-H]- 16.5892421679486 11.5812306649212 0.000171907968512075 16.5892421679486 11.5812306649212 0.000171907968512075 M201T57 201.052948388218 201.052904654301 201.053017308758 56.8154426319833 56.3275134655542 57.120883996986 5 5 0 [M+H+CF3COOH]+ 66.0563 45 [M+H]+ 200.046 45 Found [M+H]+/[M-H]- Inf -8.88000804654786 0.000888474156370389 Inf -8.88000804654786 0.000888474156370389 M202T53 201.801398284935 201.801358925248 201.801437644621 52.8818716076971 52.8500773722943 52.9136658431 2 0 2 2726 [M+H]+ 200.794 2726 Found [M+H]+/[M-H]- Inf 1.59459677238649 0.209064733573254 Inf 1.59459677238649 0.209064733573254 M203T260 203.014866903323 203.01237487793 203.01517304138 260.073855004304 255.676187200066 260.714177428788 3 2 1 2048 [M+H]+ 202.008 2048 Found [M+H]+/[M-H]- 8.33745391284737 -1.55940762759144 0.191822201998252 8.33745391284737 -1.55940762759144 0.191822201998252 M203T344 203.091886669884 203.091839010203 203.09212698523 343.775887067181 343.568676145638 345.234945138976 3 3 0 5876 [M+H]+ 202.085 5876 Found [M+H]+/[M-H]- Inf -2.82856571109711 0.0474139883898759 Inf -2.82856571109711 0.0474139883898759 M203T491 203.128035258094 203.123245239258 203.128516796386 490.711137385413 489.276049763106 494.79589694794 5 4 1 [M+H]+ 202.118 226 [M+H]+ 202.118 226 Found [M+H]+/[M-H]- 31.4208446136702 -3.34585898598029 0.0276458950579554 31.4208446136702 -3.34585898598029 0.0276458950579554 M203T57 203.049934370579 203.049874885322 203.050061597347 56.8154426319833 56.3275134655542 57.120883996986 5 5 0 45 [M+H]+ 202.043 45 Found [M+H]+/[M-H]- Inf -8.93455940506452 0.000867824861056299 Inf -8.93455940506452 0.000867824861056299 M205T225 204.956360493351 204.956291449583 204.956553060452 224.948977151727 218.400034304723 230.320235167043 4 2 1 8760 [M+H]+ 203.949 8760 Found [M+H]+/[M-H]- 1.86168513116857 1.81847183730201 0.113479355152514 1.86168513116857 1.81847183730201 0.113479355152514 M205T277 205.019487826025 205.019479024839 205.019496627212 276.724048355162 276.045844259444 277.402252450879 2 2 0 5698 [M+H]+ 204.012 5698 Found [M+H]+/[M-H]- Inf -2.39575011739881 0.0746999632343526 Inf -2.39575011739881 0.0746999632343526 M205T314 205.009138911752 205.007982265237 205.010295558267 313.501303519039 313.141715339415 313.860891698663 2 2 0 5662 [M+H]+ 204.002 5662 Found [M+H]+/[M-H]- 14.0979947391331 -1.42097438681649 0.2267871856839 14.0979947391331 -1.42097438681649 0.2267871856839 M205T369 204.996773488725 204.992533274547 204.99702587677 368.867308245037 359.148624847695 383.90880987038 9 5 2 17 [M+H]+ 203.989 17 Found [M+H]+/[M-H]- 19.0461236230484 -1.86533861671609 0.135033308865137 19.0461236230484 -1.86533861671609 0.135033308865137 M205T43 204.956372961914 204.956039034284 204.957383679608 42.9207491334861 34.6695054452568 43.2629130537807 4 1 3 404 [M+H]+ 203.949 404 Found [M+H]+/[M-H]- 2.34510443704701 1.65519926720859 0.143114213555614 2.34510443704701 1.65519926720859 0.143114213555614 M205T58 205.045933428289 205.045824000885 205.046042855693 57.7051514282237 57.3407858532816 58.0695170031657 2 2 0 2097 [M+H]+ 204.039 2097 Found [M+H]+/[M-H]- Inf -1.04681500394762 0.354269499589589 Inf -1.04681500394762 0.354269499589589 M206T421 206.071244304523 206.071174519251 206.071314089796 420.949297397863 420.468356060753 421.430238734973 2 2 0 2788 [M+H]+ 205.064 2788 Found [M+H]+/[M-H]- Inf -1.73349605562663 0.158035110232255 Inf -1.73349605562663 0.158035110232255 M207T249 206.976199882209 206.976065229115 206.976334535304 248.580666871873 247.127853912554 250.033479831193 2 2 0 7017 [M+H]+ 205.969 7017 Found [M+H]+/[M-H]- 19.3460482924225 -1.58538132810397 0.187926740838283 19.3460482924225 -1.58538132810397 0.187926740838283 M207T288 206.976149718823 206.976077656752 206.980697405498 288.467123839242 286.922893374671 295.423265456801 3 2 1 54 [M+H]+ 205.969 54 Found [M+H]+/[M-H]- 28.7578458428835 -1.20399464247745 0.294907735716278 28.7578458428835 -1.20399464247745 0.294907735716278 M207T43 206.972085248937 206.972041457043 206.97216286142 42.8277375541273 42.5670785177943 42.9230495622039 4 0 4 5931 [M+H]+ 205.965 5931 Found [M+H]+/[M-H]- 9.09792984101924 13.088212014409 0.000388601164774904 9.09792984101924 13.088212014409 0.000388601164774904 M208T366 208.073970039517 208.073692576205 208.074074702804 366.320365752136 364.77075795652 366.623979731976 3 3 0 [3M+H]+ 69.0313 511 [M+H]+ 207.067 511 Found [M+H]+/[M-H]- Inf -1.92783031379548 0.126129781976051 Inf -1.92783031379548 0.126129781976051 M208T440 207.836064257757 207.835838487509 207.836302612246 440.252399458903 426.946278739092 457.652622948668 6 1 2 5086 [M+H]+ 206.829 5086 Found [M+H]+/[M-H]- 5.07566971868379 1.94729299512782 0.125349055696943 5.07566971868379 1.94729299512782 0.125349055696943 M209T248 208.975381763001 208.975364552305 208.975578822247 247.8720246847 246.613148092652 248.491573218692 3 3 0 586 [M+H]+ 207.968 586 Found [M+H]+/[M-H]- 94.0019034475082 -1.5043170469338 0.20690541274411 94.0019034475082 -1.5043170469338 0.20690541274411 M211T269 211.082941865027 211.082897612271 211.08304414311 269.167200906234 268.26194555939 270.338461636874 4 4 0 [M+Na]+ 188.098 4537 [M+H]+ 210.076 4537 Found [M+H]+/[M-H]- Inf -2.22149728830294 0.0904615290964574 Inf -2.22149728830294 0.0904615290964574 M211T403 211.060538920729 211.060482221083 211.060607305086 402.85695071162 396.206679148045 403.947022851854 5 4 0 85 [M+H]+ 210.053 85 Found [M+H]+/[M-H]- Inf -2.47428686503777 0.0686302993509393 Inf -2.47428686503777 0.0686302993509393 M211T51 210.841827684376 210.841720903946 210.84191825973 51.2879696237028 51.2550832857068 51.7612360112204 5 5 0 2331 [M+H]+ 209.835 2331 Found [M+H]+/[M-H]- 345.81601322869 -3.28075009400751 0.0304711079846851 345.81601322869 -3.28075009400751 0.0304711079846851 M212T57 212.040628794422 212.040549528083 212.040786223816 56.9537717844583 56.5494747208612 57.6170708537318 4 4 0 2098 [M+H]+ 211.033 2098 Found [M+H]+/[M-H]- Inf -3.52588341204456 0.024320633313037 Inf -3.52588341204456 0.024320633313037 M213T326 213.064073162633 213.063849526935 213.064296798332 326.257367187408 325.956369738127 326.558364636689 2 2 0 2138 [M+H]+ 212.057 2138 Found [M+H]+/[M-H]- Inf -1.91877582542955 0.127451011531256 Inf -1.91877582542955 0.127451011531256 M215T334 215.091866282066 215.091737369812 215.091995957694 334.478718537907 330.491297978885 339.181512181095 3 3 0 6321 [M+H]+ 214.085 6321 Found [M+H]+/[M-H]- Inf -2.05232829968174 0.10940072873246 Inf -2.05232829968174 0.10940072873246 M215T49 214.933444990135 214.933403970251 214.933486010019 49.2909776306862 49.2062421221754 49.375713139197 2 2 0 2967 [M+H]+ 213.926 2967 Found [M+H]+/[M-H]- Inf -1.86309005493025 0.135913425746168 Inf -1.86309005493025 0.135913425746168 M216T285 216.081944578884 216.077855307243 216.084579303691 285.10469591612 273.373855508685 291.529788988469 5 2 2 3658 [M+H]+ 215.075 3658 Found [M+H]+/[M-H]- 1.14123740947188 -0.255256553050474 0.806012818178024 1.14123740947188 -0.255256553050474 0.806012818178024 M216T349 216.023984938969 216.023804892138 216.024185168351 348.985916992909 347.22045784934 356.346327597561 8 5 1 4153 [M+H]+ 215.017 4153 Found [M+H]+/[M-H]- 325.677280610428 -11.8913488046305 0.000282108142486415 325.677280610428 -11.8913488046305 0.000282108142486415 M217T50 216.936798010832 216.936363117007 216.937288541267 49.7058888664046 46.5874147234747 50.9443283160701 4 1 3 341 [M+H]+ 215.93 341 Found [M+H]+/[M-H]- 1.84260486744881 1.56084558547029 0.16690129695899 1.84260486744881 1.56084558547029 0.16690129695899 M217T53 217.047788386686 217.047712983406 217.052474975586 52.6581638000514 46.742899834895 52.8917295515643 4 3 1 2728 [M+H]+ 216.041 2728 Found [M+H]+/[M-H]- 160.285956985692 -2.43969024677021 0.0712222104218494 160.285956985692 -2.43969024677021 0.0712222104218494 M218T283 218.10273373801 218.102640844535 218.102868082962 283.216862294172 282.801908774578 284.968660371316 5 5 0 [39][M]+ 2619 [39][M]+ [M+H]+ 217.095 2619 Found [M+H]+/[M-H]- Inf -2.63516713994893 0.057872252937641 Inf -2.63516713994893 0.057872252937641 M218T356 217.901289633051 217.901168996613 217.901410269489 356.002209919108 353.596789846118 358.407629992098 2 0 2 3712 [M+H]+ 216.894 3712 Found [M+H]+/[M-H]- Inf 1.81388998188545 0.167338670706481 Inf 1.81388998188545 0.167338670706481 M218T360 218.040115356445 218.039902863749 218.045100837483 360.3814581699 350.137607439908 360.931670763921 3 3 0 64 [M+H]+ 217.033 64 Found [M+H]+/[M-H]- Inf -1.54325762612146 0.197640909652008 Inf -1.54325762612146 0.197640909652008 M218T393 218.111013985254 218.110814331313 218.111087192833 393.069411642261 392.769164138403 394.145383925038 3 3 0 4844 [M+H]+ 217.104 4844 Found [M+H]+/[M-H]- Inf -2.35295146964306 0.078262659762633 Inf -2.35295146964306 0.078262659762633 M218T465 218.081504600344 218.080972023251 218.08156797649 465.44213805391 443.411809922235 466.982737429939 6 4 0 349 [M+H]+ 217.074 349 Found [M+H]+/[M-H]- Inf -2.4997104412311 0.0667872088399939 Inf -2.4997104412311 0.0667872088399939 M218T538 217.901335003963 217.901222794843 217.901501115334 538.307264997665 529.418720643866 538.855819258754 3 1 2 7513 [M+H]+ 216.894 7513 Found [M+H]+/[M-H]- 1.18492941831761 -0.316967679498953 0.762277805204887 1.18492941831761 -0.316967679498953 0.762277805204887 M219T244 219.00976600291 219.009602856565 219.009929149255 244.010835645777 243.517386964334 244.50428432722 2 2 0 30 [M+H]+ 218.002 30 Found [M+H]+/[M-H]- Inf -2.23841590519606 0.0887777862519137 Inf -2.23841590519606 0.0887777862519137 M219T288 218.976272493551 218.976270252617 218.976274734486 287.953537000124 287.439950161006 288.467123839242 2 2 0 36 [M+H]+ 217.969 36 Found [M+H]+/[M-H]- Inf -1.46276655526221 0.217357490778456 Inf -1.46276655526221 0.217357490778456 M219T323 219.023757628266 219.023651895431 219.026580810547 323.232149681912 322.248544503453 336.817984991583 5 4 1 [M+K]+ 180.063 81 [M+H]+ 218.016 81 Found [M+H]+/[M-H]- 112.30374387192 -3.14331569596256 0.0346604611092456 112.30374387192 -3.14331569596256 0.0346604611092456 M219T416 219.012774352746 219.012617134514 219.012886306512 416.0568841137 414.822097567148 417.066328587549 3 3 0 1848 [M+H]+ 218.005 1848 Found [M+H]+/[M-H]- 32.580942508002 -1.88490548497459 0.132021315933004 32.580942508002 -1.88490548497459 0.132021315933004 M219T51 218.962890052623 218.962871374604 218.962908730642 50.8631832756625 50.7820382352548 50.9443283160701 2 0 2 5846 [M+H]+ 217.956 5846 Found [M+H]+/[M-H]- Inf 1.45966529502811 0.240491885291917 Inf 1.45966529502811 0.240491885291917 M219T53 219.044927862234 219.044791121635 219.048416137695 52.6581638000514 40.6769823011844 55.3411380204294 6 5 1 94 [M+H]+ 218.038 94 Found [M+H]+/[M-H]- 263.310301380734 -2.40333435865346 0.0740772081904693 263.310301380734 -2.40333435865346 0.0740772081904693 M221T328 220.991947800809 220.991845471698 220.992041190554 328.215569003379 328.046624373618 328.522653453703 3 3 0 3648 [M+H]+ 219.985 3648 Found [M+H]+/[M-H]- Inf -2.22651810775333 0.0899581573593304 Inf -2.22651810775333 0.0899581573593304 M221T365 221.04532623291 221.044372558594 221.05061340332 365.272348473907 355.097395640845 377.691508014562 4 1 2 2705 [M+H]+ 220.038 2705 Found [M+H]+/[M-H]- 2.44368347084164 0.788883186183351 0.463581807272025 2.44368347084164 0.788883186183351 0.463581807272025 M222T385 222.071049018568 222.070986313963 222.071111723172 384.823980532515 384.405618725474 385.242342339555 2 2 0 80 [M+H]+ 221.064 80 Found [M+H]+/[M-H]- Inf -1.51163057521502 0.205161537950894 Inf -1.51163057521502 0.205161537950894 M223T395 223.054788792859 223.054155199153 223.05496622699 394.832695943797 393.749989912367 395.420762034392 4 4 0 [M+Na+K]2+ 384.16 42 [M+H]+ 222.048 42 Found [M+H]+/[M-H]- 22.5894113283224 -1.56245698145652 0.192917411512127 22.5894113283224 -1.56245698145652 0.192917411512127 M223T51 222.885593761236 222.885162353516 222.886025168957 50.6579001886105 49.8547752377701 51.4610251394509 2 0 2 2767 [M+H]+ 221.878 2767 Found [M+H]+/[M-H]- 1.10345494564075 0.100395308155227 0.92302994047887 1.10345494564075 0.100395308155227 0.92302994047887 M224T513 223.953102418307 223.953058373254 223.95314646336 513.461044201957 513.378552123057 513.543536280857 2 2 0 766 [M+H]+ 222.946 766 Found [M+H]+/[M-H]- Inf -1.69690244141291 0.164952681793066 Inf -1.69690244141291 0.164952681793066 M224T53 223.848244345593 223.847912599282 223.848496779136 52.9136658431 52.8500773722943 53.4818252077471 3 0 3 2730 [M+H]+ 222.841 2730 Found [M+H]+/[M-H]- Inf 2.9880944880279 0.0582191445706302 Inf 2.9880944880279 0.0582191445706302 M225T319_1 225.041135496119 225.040106547759 225.045473318422 318.722933969481 306.093040911311 327.149738162288 7 4 1 1516 [M+H]+ 224.034 1516 Found [M+H]+/[M-H]- 5.73373840371288 -3.04002096857486 0.028798225713337 5.73373840371288 -3.04002096857486 0.028798225713337 M225T319_2 225.059024036524 225.055262144144 225.060555663253 319.477015922129 313.132988836526 339.807400468222 11 5 2 5374 [M+H]+ 224.052 5374 Found [M+H]+/[M-H]- 11.7995509194341 -1.37461683961501 0.240950810037909 11.7995509194341 -1.37461683961501 0.240950810037909 M226T437 226.079445047931 226.079231006431 226.079669110983 436.640611873249 435.841876298897 444.563990222248 5 5 0 5099 [M+H]+ 225.072 5099 Found [M+H]+/[M-H]- Inf -2.51112344216905 0.0659782304690353 Inf -2.51112344216905 0.0659782304690353 M227T244 227.041667516679 227.041501444673 227.041833588684 243.746036306169 243.517386964334 243.974685648003 2 2 0 7270 [M+H]+ 226.034 7270 Found [M+H]+/[M-H]- Inf -2.06150894678284 0.108267110680296 Inf -2.06150894678284 0.108267110680296 M227T375 227.049107150066 227.048958199088 227.049199563841 375.086393985019 374.16026034241 375.271802345449 3 3 0 3939 [M+H]+ 226.042 3939 Found [M+H]+/[M-H]- Inf -1.36077077304668 0.245210667583893 Inf -1.36077077304668 0.245210667583893 M227T47 226.96540941558 226.965281387144 226.965509400509 47.312894757857 47.0834090083019 47.8323797817324 7 3 4 [40][M]+ [M+Na]+ 203.975 444 [40][M]+ [M+H]+ 225.958 444 Found [M+H]+/[M-H]- 1.6206042601798 -1.98561366537639 0.109726693105247 1.6206042601798 -1.98561366537639 0.109726693105247 M227T51 226.815803616698 226.815533684866 226.815841415783 51.2550832857068 50.8226098386928 51.2879696237028 5 5 0 2342 [M+H]+ 225.809 2342 Found [M+H]+/[M-H]- Inf -3.84161192407255 0.0184341344543881 Inf -3.84161192407255 0.0184341344543881 M228T408 228.013443033133 228.013017246938 228.013868819328 407.805154390252 407.274452193971 408.335856586534 2 2 0 70 [M+H]+ 227.006 70 Found [M+H]+/[M-H]- Inf -1.48942714874355 0.210614926227951 Inf -1.48942714874355 0.210614926227951 M229T56 229.02928294031 229.029219121102 229.029390237123 56.1113925678956 55.0847877979911 56.1334095502559 3 3 0 2306 [M+H]+ 228.022 2306 Found [M+H]+/[M-H]- Inf -2.85695169946484 0.046071052213601 Inf -2.85695169946484 0.046071052213601 M229T60 228.992956451386 228.992859620921 228.992977203451 59.5165585677464 59.4927154999776 59.8364284402276 3 3 0 2433 [M+H]+ 227.986 2433 Found [M+H]+/[M-H]- Inf -2.00462547187025 0.115505036256654 Inf -2.00462547187025 0.115505036256654 M230T276 229.975667118344 229.975519976947 229.97581425974 276.46800798037 275.533763509862 277.402252450879 2 2 0 3029 [M+H]+ 228.968 3029 Found [M+H]+/[M-H]- Inf -1.33105255724337 0.253971264329022 Inf -1.33105255724337 0.253971264329022 M230T294 230.021984615409 230.021978573692 230.021990657126 294.244781634208 293.525152464576 294.964410803839 2 2 0 1590 [M+H]+ 229.015 1590 Found [M+H]+/[M-H]- Inf -3.11809362124357 0.0355921437057587 Inf -3.11809362124357 0.0355921437057587 M230T321 230.012241808012 230.012162888746 230.012351393867 321.213537036628 307.492150844486 321.37835262906 6 5 0 108 [M+H]+ 229.005 108 Found [M+H]+/[M-H]- Inf -1.71500270537108 0.161491963029328 Inf -1.71500270537108 0.161491963029328 M230T340 230.102713262708 230.102602778686 230.102948888571 339.675014658594 335.119058364842 341.231410122019 6 5 0 6325 [M+H]+ 229.095 6325 Found [M+H]+/[M-H]- Inf -2.15330318080125 0.0976192211928459 Inf -2.15330318080125 0.0976192211928459 M231T51 230.857257461304 230.857007135931 230.85745856039 51.2077813990735 49.9482648563086 51.2879696237028 5 5 0 2348 [M+H]+ 229.85 2348 Found [M+H]+/[M-H]- Inf -13.6902925745035 0.000164895309621382 Inf -13.6902925745035 0.000164895309621382 M232T294 232.018944682217 232.018510120909 232.019092753585 293.60156024631 293.070669572271 295.478677283159 4 4 0 1591 [M+H]+ 231.012 1591 Found [M+H]+/[M-H]- Inf -3.69275321802796 0.0209680724355992 Inf -3.69275321802796 0.0209680724355992 M232T310_1 232.018943132836 232.018689398874 232.019055282642 309.83228183276 309.565071482922 310.405710365239 4 4 0 1788 [M+H]+ 231.012 1788 Found [M+H]+/[M-H]- Inf -4.48005183833341 0.0109894150029906 Inf -4.48005183833341 0.0109894150029906 M232T361 232.007945486047 232.007887561677 232.008003410417 361.330102008893 360.931670763921 361.728533253865 2 2 0 40 [M+H]+ 231.001 40 Found [M+H]+/[M-H]- Inf -1.5293486675566 0.200913025341207 Inf -1.5293486675566 0.200913025341207 M232T365 232.019135036675 232.0188728177 232.01939725565 365.302945364602 364.77075795652 365.835132772684 2 2 0 2699 [M+H]+ 231.012 2699 Found [M+H]+/[M-H]- Inf -1.61629392272515 0.181336240075545 Inf -1.61629392272515 0.181336240075545 M233T695 232.914241137308 232.91399453771 232.916410392801 694.592968236335 688.591047104945 710.81572861173 11 4 3 8878 [M+H]+ 231.907 8878 Found [M+H]+/[M-H]- 1.54662281728731 -1.67558883667538 0.137873363880888 1.54662281728731 -1.67558883667538 0.137873363880888 M235T260 235.040929958266 235.040704651191 235.041477780013 260.280529973772 258.513866256472 261.26806566286 3 3 0 2050 [M+H]+ 234.034 2050 Found [M+H]+/[M-H]- Inf -1.81644382209835 0.143468666559999 Inf -1.81644382209835 0.143468666559999 M235T409 235.055090436105 235.055082622417 235.055098249793 408.590544332182 408.465720954566 408.715367709798 2 2 0 3699 [M+H]+ 234.048 3699 Found [M+H]+/[M-H]- Inf -1.7918584615672 0.147630801936274 Inf -1.7918584615672 0.147630801936274 M235T47 234.919254613483 234.918907786535 234.91960144043 47.15351754617 47.0176906728535 47.2893444194866 2 2 0 6291 [M+H]+ 233.912 6291 Found [M+H]+/[M-H]- Inf -1.63169807565523 0.178078879020816 Inf -1.63169807565523 0.178078879020816 M236T1013 235.925467821938 235.925379355237 235.925634308471 1013.22674160066 1005.27786341583 1033.29581464402 27 5 4 135 [M+H]+ 234.918 135 Found [M+H]+/[M-H]- 1.01446605622536 0.0630464033506217 0.95219872090606 1.01446605622536 0.0630464033506217 0.95219872090606 M236T1030 235.961197613104 235.960529291237 235.962011605438 1029.62861172917 1025.98692364791 1029.71894854847 3 2 1 5766 [M+H]+ 234.954 5766 Found [M+H]+/[M-H]- 1.2316776330299 -0.337702038219515 0.746464207350547 1.2316776330299 -0.337702038219515 0.746464207350547 M238T476 238.102432287532 238.102430846111 238.108276367188 475.87445923857 475.414005064733 483.288713264025 3 3 0 7440 [M+H]+ 237.095 7440 Found [M+H]+/[M-H]- Inf -1.80055616754392 0.146143774826295 Inf -1.80055616754392 0.146143774826295 M239T460 239.09188622651 239.091644014123 239.092026923767 460.323570445427 459.092123900456 461.058069281613 4 4 0 [M+H-C2H4]+ 266.116 216 [M+H]+ 238.085 216 Found [M+H]+/[M-H]- Inf -1.79529691406037 0.147041015585318 Inf -1.79529691406037 0.147041015585318 M241T48 240.927839671353 240.927831747595 240.92784759511 48.3334188817963 47.7978384913575 48.8689992722351 2 0 2 2259 [M+H]+ 239.921 2259 Found [M+H]+/[M-H]- 1.05325583142824 -0.0966109674376337 0.926385415193073 1.05325583142824 -0.0966109674376337 0.926385415193073 M242T326 242.048489013598 242.048391247106 242.048677950796 325.844146427106 325.573603030243 326.217351223788 3 3 0 4563 [M+H]+ 241.041 4563 Found [M+H]+/[M-H]- Inf -1.86252571668662 0.136002231579274 Inf -1.86252571668662 0.136002231579274 M242T420 242.039685268548 242.039532562818 242.039956877596 420.102881229863 419.729918704956 421.430238734973 4 4 0 485 [M+H]+ 241.032 485 Found [M+H]+/[M-H]- Inf -2.070732945069 0.107141160052004 Inf -2.070732945069 0.107141160052004 M243T392 243.12313000906 243.123059244063 243.123166228273 392.12612783088 391.592066148964 403.839285481334 6 5 0 266 [M+H]+ 242.116 266 Found [M+H]+/[M-H]- Inf -3.02982658895045 0.0387871484375415 Inf -3.02982658895045 0.0387871484375415 M243T47 242.94308679815 242.942953609854 242.943338199872 47.2893444194866 46.5036266065663 47.8323797817324 9 5 4 [M+K]+ 203.975 444 [M+H]+ 241.936 444 Found [M+H]+/[M-H]- 2.02814267235811 4.5733920377616 0.00428798539876718 2.02814267235811 4.5733920377616 0.00428798539876718 M243T51 242.789765750463 242.788420828331 242.790019038526 51.2550832857068 50.8226098386928 51.2879696237028 5 5 0 2345 [M+H]+ 241.782 2345 Found [M+H]+/[M-H]- Inf -3.44212687871651 0.0262426349771778 Inf -3.44212687871651 0.0262426349771778 M244T302 244.007869952424 244.007765335085 244.007974569762 302.145444864801 301.818222099311 302.472667630291 2 2 0 [M+K]+ 205.043 31 [M+H]+ 243.001 31 Found [M+H]+/[M-H]- Inf -1.53254233770739 0.200156838998307 Inf -1.53254233770739 0.200156838998307 M244T324 244.045297096757 244.045059204102 244.045534989412 324.232264200763 321.741888279205 326.72264012232 2 2 0 3124 [M+H]+ 243.038 3124 Found [M+H]+/[M-H]- Inf -1.63233147277661 0.177946250826305 Inf -1.63233147277661 0.177946250826305 M245T415 245.083634381692 245.083454756828 245.083814006555 415.418968986483 415.262506940792 415.575431032173 2 2 0 5190 [M+H]+ 244.076 5190 Found [M+H]+/[M-H]- Inf -2.40677225380203 0.0738124341303816 Inf -2.40677225380203 0.0738124341303816 M247T303 246.991088935373 246.990853214032 246.991158985886 302.93754867108 302.120483934607 316.554266045442 7 5 0 83 [M+H]+ 245.984 83 Found [M+H]+/[M-H]- Inf -2.60114087062237 0.0599760845820618 Inf -2.60114087062237 0.0599760845820618 M247T348 247.007737517244 247.007514782773 247.01335144043 347.856499045182 337.477633459623 349.154501642035 5 4 1 25 [M+H]+ 246 25 Found [M+H]+/[M-H]- 180.846244969674 -1.50518058982904 0.206721026936442 180.846244969674 -1.50518058982904 0.206721026936442 M247T50 246.874678382006 246.873566969038 246.875789794975 50.0789928279138 49.8624328599887 50.2955527958389 2 2 0 [M+K+NaCOOH]+ 139.917 2762 [M+K+NaCOOH]+ 139.917 [M+H]+ 245.867 2762 Found [M+H]+/[M-H]- 54.8211411195333 -5.80292828283088 0.00408189945985038 54.8211411195333 -5.80292828283088 0.00408189945985038 M247T53 247.039865236882 247.039817243136 247.039913230627 53.0199968408601 52.8917295515643 53.1482641301558 2 2 0 2732 [M+H]+ 246.033 2732 Found [M+H]+/[M-H]- Inf -1.47162094161938 0.215094334566027 Inf -1.47162094161938 0.215094334566027 M249T302 248.986784517796 248.986685677384 248.986934305099 302.328307592678 301.982771396936 303.444573367983 3 3 0 6088 [M+H]+ 247.98 6088 Found [M+H]+/[M-H]- Inf -2.29776759912979 0.0831429968216644 Inf -2.29776759912979 0.0831429968216644 M249T329 249.023760509739 249.023211412933 249.024309606544 329.3738121154 329.214299209393 329.533325021407 2 2 0 [3M+2Na+2K-H]3+ 208.062 112 [M+H]+ 248.016 112 Found [M+H]+/[M-H]- Inf -1.36195858083173 0.244866751157215 Inf -1.36195858083173 0.244866751157215 M249T60 248.983310603845 248.982758217247 248.983719989539 59.8364284402276 58.9085647946475 60.0540724307638 5 5 0 2438 [M+H]+ 247.976 2438 Found [M+H]+/[M-H]- Inf -3.26637381943243 0.0308945483347471 Inf -3.26637381943243 0.0308945483347471 M250T323 250.054946498146 250.054168701172 250.056823730469 323.034756899446 311.382945001212 325.727120283754 4 3 1 2566 [M+H]+ 249.048 2566 Found [M+H]+/[M-H]- 19.6777974291833 -1.327738499178 0.254307853785952 19.6777974291833 -1.327738499178 0.254307853785952 M250T334 250.09138149433 250.091252644223 250.091510344436 334.153454466103 333.68856056993 334.618348362276 2 2 0 487 [M+H]+ 249.084 487 Found [M+H]+/[M-H]- Inf -1.62463117607482 0.179565625983656 Inf -1.62463117607482 0.179565625983656 M251T275 251.077784819717 251.07764701885 251.077941654132 274.917368159533 274.470949939611 276.893362625906 4 4 0 1845 [M+H]+ 250.071 1845 Found [M+H]+/[M-H]- Inf -3.44730494449662 0.0261186964890616 Inf -3.44730494449662 0.0261186964890616 M251T53 250.860225612352 250.859948565571 250.860502659132 52.7980543993327 51.7944151023409 53.8016936963245 2 2 0 94 [M+H]+ 249.853 94 Found [M+H]+/[M-H]- Inf -2.81522127781986 0.0480609947124997 Inf -2.81522127781986 0.0480609947124997 M254T240 254.060864590272 254.060851135999 254.060878044544 239.560326733879 238.342580591942 240.778072875816 2 2 0 5833 [M+H]+ 253.054 5833 Found [M+H]+/[M-H]- Inf -1.84829498228644 0.13826239591155 Inf -1.84829498228644 0.13826239591155 M254T301 254.117878708261 254.116390241965 254.121813831967 300.636166577593 299.64221883204 301.911168877943 4 4 0 3386 [M+H]+ 253.111 3386 Found [M+H]+/[M-H]- Inf -2.59468854567099 0.0603848670490914 Inf -2.59468854567099 0.0603848670490914 M254T62 254.033912658691 254.033279418945 254.034545898438 62.485119238 61.9491944502939 63.0210440257061 2 2 0 3966 [M+H]+ 253.027 3966 Found [M+H]+/[M-H]- Inf -2.22456386298236 0.0901537105413339 Inf -2.22456386298236 0.0901537105413339 M256T284 256.076508063172 256.076336336143 256.076537758168 284.013743362671 282.284609221358 284.472634722017 3 3 0 241 [M+H]+ 255.069 241 Found [M+H]+/[M-H]- Inf -2.106199822943 0.102930648204982 Inf -2.106199822943 0.102930648204982 M256T55 256.058827716699 256.058766031463 256.062133789062 54.6231302124827 48.4444399388781 55.3213118888878 6 5 1 29 [M+H]+ 255.052 29 Found [M+H]+/[M-H]- 332.488007665322 -3.84784069443228 0.0183271306847397 332.488007665322 -3.84784069443228 0.0183271306847397 M256T92 255.891479492188 255.890670776367 255.892288208008 91.7962343030906 89.5778133245039 94.0146552816773 2 2 0 8977 [M+H]+ 254.884 8977 Found [M+H]+/[M-H]- Inf -1.61826294828984 0.180916441161371 Inf -1.61826294828984 0.180916441161371 M257T49 256.901916503906 256.900421142578 256.902496032806 49.3792445786766 49.0097321727346 49.8547752377701 5 3 2 2968 [M+H]+ 255.895 2968 Found [M+H]+/[M-H]- 11.2603838766915 -1.83947359267917 0.138166884226686 11.2603838766915 -1.83947359267917 0.138166884226686 M257T60 256.97693681011 256.976750953263 256.978196188454 60.3287095204177 60.0181506522776 71.1616018983419 5 4 0 2602 [M+H]+ 255.97 2602 Found [M+H]+/[M-H]- Inf -5.73019392800017 0.0045926983829121 Inf -5.73019392800017 0.0045926983829121 M258T511 257.818200662335 257.818099910748 257.818362358258 511.441453727999 502.661741969542 513.083325202375 3 2 0 7409 [M+H]+ 256.811 7409 Found [M+H]+/[M-H]- Inf -1.6730679817588 0.169629188466794 Inf -1.6730679817588 0.169629188466794 M259T365 259.027550911481 259.027384279722 259.027688380139 364.672065775709 363.920746097251 373.122638407065 3 3 0 [51][M]+ 1962 [51][M]+ [M+H]+ 258.02 1962 Found [M+H]+/[M-H]- Inf -1.63444940712988 0.1775035190678 Inf -1.63444940712988 0.1775035190678 M259T48 258.91625456403 258.916034381246 258.917088262423 47.6148984089069 47.0176906728535 47.8323797817324 6 2 4 6293 [M+H]+ 257.909 6293 Found [M+H]+/[M-H]- 2.46798247043173 4.0742767034041 0.0107356662925553 2.46798247043173 4.0742767034041 0.0107356662925553 M259T51 258.763795263101 258.763672294754 258.763918231449 51.0521119957207 50.8226098386928 51.2816141527486 2 2 0 2352 [M+H]+ 257.757 2352 Found [M+H]+/[M-H]- Inf -1.72756224401634 0.159135681930704 Inf -1.72756224401634 0.159135681930704 M260T282 260.002879146921 260.002873553067 260.002884740775 282.364584009192 281.261556014995 283.467612003389 2 2 0 [M+H-CH2]+ 272.999 114 [M+H]+ 258.996 114 Found [M+H]+/[M-H]- Inf -1.41161234631424 0.230908688456902 Inf -1.41161234631424 0.230908688456902 M260T314 260.032474710193 260.032321797822 260.032518079404 314.17704782863 313.872693140743 314.852526966497 3 3 0 [3M+2K-H]+ 61.0396 [M+H]+ 259.023 339 [M+H]+ 259.023 339 Found [M+H]+/[M-H]- Inf -1.38608862808027 0.23798225836283 Inf -1.38608862808027 0.23798225836283 M260T338 260.095470205889 260.095351588879 260.0955888229 338.091087859755 337.848355490106 338.333820229404 2 2 0 3281 [M+H]+ 259.088 3281 Found [M+H]+/[M-H]- Inf -2.29648580485285 0.0832603608957545 Inf -2.29648580485285 0.0832603608957545 M260T57 260.071728762248 260.071539371659 260.071939193025 57.3407858532816 57.3136908220641 57.5241508065506 3 3 0 45 [M+H]+ 259.064 45 Found [M+H]+/[M-H]- Inf -2.36527452064096 0.0772175197890224 Inf -2.36527452064096 0.0772175197890224 M262T156 262.018520050589 262.018476889746 262.018915709506 156.360658853558 156.142689231763 157.4966693359 3 3 0 4542 [M+H]+ 261.011 4542 Found [M+H]+/[M-H]- 214.057450791679 -2.16568434883755 0.0962599926560574 214.057450791679 -2.16568434883755 0.0962599926560574 M262T268 262.074829576849 262.074775931118 262.075292122276 267.822565905554 266.406914930179 270.938492226804 3 2 0 6278 [M+H]+ 261.068 6278 Found [M+H]+/[M-H]- Inf -1.60124426856117 0.184578415319482 Inf -1.60124426856117 0.184578415319482 M263T322 263.133912815122 263.133539608306 263.134088658828 321.625745119284 312.632332571249 324.231482599427 12 3 4 2658 [M+H]+ 262.127 2658 Found [M+H]+/[M-H]- 4.13696155032679 6.45557258398687 0.00161363458841013 4.13696155032679 6.45557258398687 0.00161363458841013 M263T333 263.00260980156 263.002587800354 263.002694303357 333.084867824595 332.947607258745 333.202035366126 3 3 0 [M+H-CH3]+ 277.025 92 [M+H]+ 261.995 92 Found [M+H]+/[M-H]- Inf -2.16813677563148 0.096010140861797 Inf -2.16813677563148 0.096010140861797 M263T398 263.032323184177 263.032295511569 263.032350856784 398.066964829189 397.668549916296 398.465379742082 2 2 0 212 [M+H]+ 262.025 212 Found [M+H]+/[M-H]- Inf -1.63216176548409 0.177981776061576 Inf -1.63216176548409 0.177981776061576 M263T55 263.083809820029 263.083435655286 263.083965457036 54.8199368553501 54.6738772471652 54.8756850457646 3 3 0 1866 [M+H]+ 262.077 1866 Found [M+H]+/[M-H]- Inf -2.87207613194575 0.045373602315204 Inf -2.87207613194575 0.045373602315204 M264T321 264.137194551448 264.136269157091 264.137604365988 320.848579520178 313.896625585708 322.052246765262 4 0 3 3531 [M+H]+ 263.13 3531 Found [M+H]+/[M-H]- 17.7740722287523 5.37340329410346 0.00726946737750556 17.7740722287523 5.37340329410346 0.00726946737750556 M265T48_1 264.879301969676 264.878675258758 264.879928680594 48.2173284051559 48.0328368453438 48.4018199649679 2 2 0 2261 [M+H]+ 263.872 2261 Found [M+H]+/[M-H]- Inf -2.12962916005724 0.100249717760155 Inf -2.12962916005724 0.100249717760155 M266T253 266.049721648378 266.049477270681 266.049966026074 253.2314414694 251.819594286411 254.643288652388 2 2 0 5812 [M+H]+ 265.042 5812 Found [M+H]+/[M-H]- Inf -1.69367676067667 0.165577578142642 Inf -1.69367676067667 0.165577578142642 M267T48 266.932249584523 266.932124191274 266.932556152344 48.3944583802121 44.0126984376104 48.6940644590051 3 3 0 59 [M+H]+ 265.925 59 Found [M+H]+/[M-H]- Inf -1.91697426929185 0.127715681252555 Inf -1.91697426929185 0.127715681252555 M267T52 266.834083188633 266.833561684522 266.834106681781 51.7944151023409 51.6750944685698 52.2375514510493 3 3 0 3639 [M+H]+ 265.827 3639 Found [M+H]+/[M-H]- Inf -2.35242960915345 0.0783072712319708 Inf -2.35242960915345 0.0783072712319708 M269T51 268.800568467386 268.800049897225 268.801851833525 51.4709659787668 50.3907155634095 52.1558621386612 4 4 0 2354 [M+H]+ 267.793 2354 Found [M+H]+/[M-H]- Inf -2.57036343983889 0.0619549724354904 Inf -2.57036343983889 0.0619549724354904 M271T492 271.154338551194 271.154090901698 271.154407577932 491.753753673894 478.837312533203 493.199426308285 7 4 0 6177 [M+H]+ 270.147 6177 Found [M+H]+/[M-H]- Inf -2.04033453454666 0.110901437010994 Inf -2.04033453454666 0.110901437010994 M271T55 271.066638810404 271.066579463639 271.066839430888 55.158247724481 54.8199368553501 55.5721382107767 3 3 0 [M+H]+ 270.055 264 [M+H]+ 270.055 264 Found [M+H]+/[M-H]- Inf -4.12230875058221 0.0145849696447446 Inf -4.12230875058221 0.0145849696447446 M271T56 271.051004490176 271.050859554078 271.051149426275 55.9824961830053 55.8315828157546 56.1334095502559 2 2 0 2319 [M+H]+ 270.044 2319 Found [M+H]+/[M-H]- Inf -2.3779678932461 0.0761574421383293 Inf -2.3779678932461 0.0761574421383293 M273T429 273.169887309108 273.169543701357 273.170222631312 429.077780121731 417.284423798403 440.408968913025 7 2 0 4353 [M+H]+ 272.163 4353 Found [M+H]+/[M-H]- Inf -1.64484653935877 0.175346696180216 Inf -1.64484653935877 0.175346696180216 M273T45 272.958236647093 272.958151454133 272.958366868053 45.2789940623978 45.1329789604735 45.5285035427475 9 5 4 [62][M]+ [M+Na]+ 249.971 101 [62][M]+ [M+H]+ 271.951 101 Found [M+H]+/[M-H]- 6.41657665824545 -3.71398689111301 0.0200829385939922 6.41657665824545 -3.71398689111301 0.0200829385939922 M273T457 273.170033374162 273.169810706913 273.170322959599 456.928649704182 449.257832130457 465.613341069168 8 3 0 4770 [M+H]+ 272.163 4770 Found [M+H]+/[M-H]- Inf -2.47462321322789 0.0686055402427181 Inf -2.47462321322789 0.0686055402427181 M273T51 272.842045956514 272.841763135645 272.842164519373 51.2879696237028 49.990186792001 51.7612360112204 5 5 0 2334 [M+H]+ 271.835 2334 Found [M+H]+/[M-H]- Inf -5.84754756532702 0.0042657456313524 Inf -5.84754756532702 0.0042657456313524 M275T341 275.022352507517 275.022175809067 275.022520692513 340.735270662654 326.558364636689 365.165533721502 11 5 0 3845 [M+H]+ 274.015 3845 Found [M+H]+/[M-H]- Inf -1.82708687283736 0.141705974610038 Inf -1.82708687283736 0.141705974610038 M275T61 275.007951699466 275.007602421001 275.008300977931 61.152970705293 60.8340103407395 61.4719310698466 2 2 0 1830 [M+H]+ 274.001 1830 Found [M+H]+/[M-H]- Inf -3.0713792922799 0.0372428795718895 Inf -3.0713792922799 0.0372428795718895 M276T282 275.997578926917 275.997568642112 275.997979808001 281.990468509378 281.261556014995 282.456627817798 3 3 0 2976 [M+H]+ 274.99 2976 Found [M+H]+/[M-H]- Inf -1.80123270413933 0.146028781339856 Inf -1.80123270413933 0.146028781339856 M277T466 277.020538139281 277.020165306047 277.021014580728 466.495841043763 464.98861588796 467.966110316365 4 4 0 415 [M+H]+ 276.013 415 Found [M+H]+/[M-H]- Inf -1.67006889581522 0.170227412672551 Inf -1.67006889581522 0.170227412672551 M278T399 278.102376058747 278.102307219194 278.102405200348 398.953874899891 398.651514623902 400.506889629647 3 3 0 278 [M+H]+ 277.095 278 Found [M+H]+/[M-H]- Inf -2.29687858465231 0.0832243772663772 Inf -2.29687858465231 0.0832243772663772 M279T1005 278.907079685744 278.902309041576 278.907270133457 1004.72770966562 1004.37174911799 1014.45524209444 4 3 1 461 [M+H]+ 277.9 461 Found [M+H]+/[M-H]- 1.16010817442782 -0.624889311640425 0.561297905006621 1.16010817442782 -0.624889311640425 0.561297905006621 M279T323 279.024513511813 279.022345035685 279.027048609722 322.941383317507 322.248544503453 323.41889684579 4 4 0 2564 [M+H]+ 278.017 2564 Found [M+H]+/[M-H]- Inf -3.08768790232365 0.0366565707818696 Inf -3.08768790232365 0.0366565707818696 M280T535 279.93850012726 279.938145864804 279.938854389715 535.42397001278 533.59808586742 537.24985415814 2 0 2 4104 [M+H]+ 278.931 4104 Found [M+H]+/[M-H]- Inf 1.55289148877583 0.218264763137274 Inf 1.55289148877583 0.218264763137274 M281T1005 280.904390312142 280.904227283362 280.905155372753 1004.66336564583 999.255700557433 1005.24400661913 5 2 3 [3M+H+K]2+ 173.952 [M+K+NaCOOH]+ 173.952 56 [M+H]+ 279.897 56 Found [M+H]+/[M-H]- 1.01967396724894 0.0938975819458298 0.929749460905787 1.01967396724894 0.0938975819458298 0.929749460905787 M281T416 281.050267776411 281.048706054688 281.051483154297 415.680100719567 410.543318901849 416.574475136047 6 5 1 6598 [M+H]+ 280.043 6598 Found [M+H]+/[M-H]- 72.8188428544914 -3.4536706662302 0.0257765550435987 72.8188428544914 -3.4536706662302 0.0257765550435987 M281T45 280.940399065918 280.94006947043 280.94078921656 44.6644281954249 44.5200200097318 44.7576272313087 3 0 3 8440 [M+H]+ 279.933 8440 Found [M+H]+/[M-H]- Inf 2.79412135921353 0.0681848945833359 Inf 2.79412135921353 0.0681848945833359 M283T1005 282.935846464996 282.935518041836 282.936162273422 1005.3383500204 1004.81630865634 1005.66099620975 8 4 4 6429 [M+H]+ 281.929 6429 Found [M+H]+/[M-H]- 1.14573024166208 -0.707935913349464 0.512657616211789 1.14573024166208 -0.707935913349464 0.512657616211789 M285T257 285.083071379377 285.082962653012 285.083450817615 256.527708849703 255.951816127393 257.642920671122 3 3 0 6511 [M+H]+ 284.076 6511 Found [M+H]+/[M-H]- Inf -2.39004738536593 0.0751639049861934 Inf -2.39004738536593 0.0751639049861934 M285T383 285.08605006066 285.085577682107 285.086163326333 382.791152530511 382.431439403927 383.902896550551 3 3 0 [3M+2Na+2K-H]3+ 244.119 14 [M+H]+ 284.079 14 Found [M+H]+/[M-H]- Inf -1.52850502146368 0.201113267967028 Inf -1.52850502146368 0.201113267967028 M285T51 284.774352656672 284.774237135654 284.774490447448 51.2816141527486 51.2550832857068 51.2879696237028 3 3 0 2355 [M+H]+ 283.767 2355 Found [M+H]+/[M-H]- Inf -2.86392785544261 0.0457478145489789 Inf -2.86392785544261 0.0457478145489789 M289T45 288.935768041076 288.935651779085 288.935883653691 45.2789940623978 45.1329789604735 45.5285035427475 9 5 4 [70][M]+ [M+K]+ 249.971 101 [70][M]+ [M+H]+ 287.928 101 Found [M+H]+/[M-H]- 2.05821637656133 -2.41371948493769 0.06662880726763 2.05821637656133 -2.41371948493769 0.06662880726763 M289T51 288.815924071043 288.81571941596 288.816115428854 51.2879696237028 50.3907155634095 51.7612360112204 5 5 0 2351 [M+H]+ 287.809 2351 Found [M+H]+/[M-H]- Inf -11.0281927176593 0.000384322014972849 Inf -11.0281927176593 0.000384322014972849 M289T57 289.069115606474 289.068492052532 289.06926611433 56.5494747208612 56.3129827788409 60.9465281683414 3 2 0 62 [M+H]+ 288.062 62 Found [M+H]+/[M-H]- 28.6629075622303 -3.36385784270186 0.0269572739075916 28.6629075622303 -3.36385784270186 0.0269572739075916 M290T314 290.069758175023 290.069353797708 290.073852539062 313.860891698663 313.661465111823 321.681048638871 3 3 0 7982 [M+H]+ 289.062 7982 Found [M+H]+/[M-H]- Inf -1.84150464858581 0.139355063669528 Inf -1.84150464858581 0.139355063669528 M291T454 291.080189944229 291.080032933864 291.080885708794 453.563681523027 452.704492654162 454.702958938693 5 5 0 [2M+2Na-H]+ 123.058 72 [M+H]+ 290.073 72 Found [M+H]+/[M-H]- Inf -1.73107943156334 0.158482357896656 Inf -1.73107943156334 0.158482357896656 M291T65 290.982596694343 290.98209202285 290.984782798313 64.9021401552988 64.8057510020662 65.1108686168394 4 4 0 5534 [M+H]+ 289.975 5534 Found [M+H]+/[M-H]- Inf -2.9644959939612 0.0413694475648194 Inf -2.9644959939612 0.0413694475648194 M291T97 290.982620409214 290.982522356315 290.982718462112 96.6017823208263 95.6557080486438 97.5478565930089 2 2 0 1458 [M+H]+ 289.975 1458 Found [M+H]+/[M-H]- Inf -3.42352634783968 0.0266936403806768 Inf -3.42352634783968 0.0266936403806768 M294T337 294.116956854005 294.116450586667 294.117463121344 336.658781745017 336.17367603557 337.143887454464 2 2 0 6672 [M+H]+ 293.11 6672 Found [M+H]+/[M-H]- Inf -1.99875699732361 0.116281452041788 Inf -1.99875699732361 0.116281452041788 M295T265 295.050976184411 295.050631807682 295.05188728267 265.33313134586 264.65415924291 267.822565905554 3 3 0 6367 [M+H]+ 294.044 6367 Found [M+H]+/[M-H]- Inf -1.79564332973209 0.146981735669983 Inf -1.79564332973209 0.146981735669983 M295T48 294.95276114127 294.952569331928 294.953020807128 47.6307824225939 47.2457230045554 48.140008716771 8 4 4 [M+Na+NaCOOH]+ 203.975 444 [M+H]+ 293.945 444 Found [M+H]+/[M-H]- 1.70691260708675 -1.38911719245987 0.233437253134461 1.70691260708675 -1.38911719245987 0.233437253134461 M295T51 294.803137698246 294.802642822266 294.803310911858 50.8199609995377 50.740921898288 50.8321383451274 4 4 0 394 [M+H]+ 293.796 394 Found [M+H]+/[M-H]- Inf -2.11554654442258 0.101851730922172 Inf -2.11554654442258 0.101851730922172 M297T1005 296.881945183849 296.881693462331 296.882503190904 1004.92174306755 1004.23214285714 1006.01814746399 9 5 4 461 [M+H]+ 295.875 461 Found [M+H]+/[M-H]- 1.01379818058413 -0.0949667612456954 0.927004798090513 1.01379818058413 -0.0949667612456954 0.927004798090513 M299T55 299.060506908309 299.060346772152 299.061006995683 54.8756850457646 54.8199368553501 55.158247724481 3 3 0 1876 [M+H]+ 298.053 1876 Found [M+H]+/[M-H]- Inf -2.81192549894533 0.0482223657478089 Inf -2.81192549894533 0.0482223657478089 M299T59 299.097563526426 299.097451267586 299.097675785266 59.0424222646994 58.5921290294212 59.4927154999776 2 2 0 4225 [M+H]+ 298.09 4225 Found [M+H]+/[M-H]- Inf -1.98310620563473 0.118380162011233 Inf -1.98310620563473 0.118380162011233 M301T351 301.076977939135 301.076751938653 301.077149763823 350.562011190667 349.491276047755 352.477516139298 5 5 0 246 [M+H]+ 300.07 246 Found [M+H]+/[M-H]- Inf -3.03112607351117 0.0387377307996326 Inf -3.03112607351117 0.0387377307996326 M301T51 300.748318474864 300.748277482747 300.748359466982 51.2847918882257 51.2816141527486 51.2879696237028 2 2 0 2341 [M+H]+ 299.741 2341 Found [M+H]+/[M-H]- Inf -3.725463188513 0.020377243239847 Inf -3.725463188513 0.020377243239847 M302T309 302.135032248 302.134772699153 302.135217682626 309.060272511548 303.36025706245 309.913035365785 7 5 0 5503 [M+H]+ 301.128 5503 Found [M+H]+/[M-H]- Inf -3.10790942792957 0.0359445715611597 Inf -3.10790942792957 0.0359445715611597 M303T396 303.05348403763 303.053328345895 303.053639729364 396.450864484202 396.011527941951 396.890201026453 2 2 0 7781 [M+H]+ 302.046 7781 Found [M+H]+/[M-H]- Inf -1.81175093702726 0.14425334470083 Inf -1.81175093702726 0.14425334470083 M303T404 303.097995905925 303.097521707071 303.09932344248 403.544718429742 389.628709288337 404.785284486541 7 5 0 4903 [M+H]+ 302.091 4903 Found [M+H]+/[M-H]- Inf -3.47135812448217 0.025552012328709 Inf -3.47135812448217 0.025552012328709 M303T51 302.745350828976 302.745350297326 302.745416849644 51.2550832857068 50.8226098386928 51.2816141527486 3 3 0 63 [M+H]+ 301.738 63 Found [M+H]+/[M-H]- Inf -3.36795039939177 0.0280970109436243 Inf -3.36795039939177 0.0280970109436243 M305T45 304.913380438519 304.913168615757 304.913474582306 45.3184632052688 44.9307952920971 45.5285035427475 8 4 4 [74][M]+ [M+Na]+ 281.922 101 [74][M]+ [M+H]+ 303.906 101 Found [M+H]+/[M-H]- 1.04032479114185 0.117187171688863 0.911767510649968 1.04032479114185 0.117187171688863 0.911767510649968 M306T373 306.137104589714 306.136739195667 306.13746998376 372.658763299504 372.632963596953 372.684563002056 2 2 0 2531 [M+H]+ 305.13 2531 Found [M+H]+/[M-H]- Inf -1.52102424343324 0.202897798066659 Inf -1.52102424343324 0.202897798066659 M307T248 307.050572750616 307.050390020708 307.050755480525 247.549943270638 246.108668561831 248.991217979444 2 2 0 2505 [M+H]+ 306.043 2505 Found [M+H]+/[M-H]- Inf -1.83126168568225 0.141020897647042 Inf -1.83126168568225 0.141020897647042 M307T338 307.039961911943 307.039893556841 307.040030267044 337.99861161604 337.84770002057 338.14952321151 2 2 0 [M+Na]+ 284.056 146 [M+H]+ 306.033 146 Found [M+H]+/[M-H]- Inf -1.63023200277181 0.178386257619886 Inf -1.63023200277181 0.178386257619886 M307T420 307.123490229446 307.123281398872 307.12369906002 419.738366165211 419.498079093052 419.978653237369 2 2 0 1735 [M+H]+ 306.116 1735 Found [M+H]+/[M-H]- Inf -1.60327611453996 0.184137205386417 Inf -1.60327611453996 0.184137205386417 M307T45 306.924498407397 306.922409282103 306.925259241699 44.7576272313087 43.4809458223985 50.7820382352548 9 4 4 8442 [M+H]+ 305.917 8442 Found [M+H]+/[M-H]- 2.13590354822244 2.10558062915457 0.0838392707985416 2.13590354822244 2.10558062915457 0.0838392707985416 M307T737 306.916983214059 306.916932262679 306.917022820129 736.871356043386 734.887408521012 737.869721940606 3 2 1 8484 [M+H]+ 305.91 8484 Found [M+H]+/[M-H]- 1.25337944496463 -0.758734571264529 0.482406263290913 1.25337944496463 -0.758734571264529 0.482406263290913 M307T773 306.910307098213 306.909432211186 306.916653559271 772.638544969777 760.739755472865 796.909147519833 17 5 3 8693 [M+H]+ 305.903 8693 Found [M+H]+/[M-H]- 1.18032949786493 -1.48391839288972 0.198783564156933 1.18032949786493 -1.48391839288972 0.198783564156933 M309T44 308.934721834351 308.934631347656 308.934812321046 44.2440215359674 43.7304158406261 44.7576272313087 2 0 2 7152 [M+H]+ 307.927 7152 Found [M+H]+/[M-H]- Inf 2.13627984457328 0.122282372404267 Inf 2.13627984457328 0.122282372404267 M310T284 310.114948012933 310.114804304765 310.115032724008 284.117729483876 283.322375266539 285.470696213489 5 5 0 4290 [M+H]+ 309.108 4290 Found [M+H]+/[M-H]- Inf -3.46579503131072 0.0256817676546548 Inf -3.46579503131072 0.0256817676546548 M313T1007 312.853765794603 312.853484226012 312.854036475292 1007.33699624842 1005.8999455467 1008.90005678408 6 2 4 357 [M+H]+ 311.846 357 Found [M+H]+/[M-H]- 1.76418216787932 1.37572328518512 0.222881342059984 1.76418216787932 1.37572328518512 0.222881342059984 M313T452 313.118509204837 313.117989191276 313.118818988098 451.592257477457 437.123345425699 452.23857580542 5 4 0 7828 [M+H]+ 312.111 7828 Found [M+H]+/[M-H]- Inf -2.55346520481135 0.0630732534528748 Inf -2.55346520481135 0.0630732534528748 M313T51_1 312.77420645446 312.774133439292 312.774279469628 50.8273740919101 50.8226098386928 50.8321383451274 2 2 0 394 [M+H]+ 311.767 394 Found [M+H]+/[M-H]- Inf -1.73951902998606 0.156926234052161 Inf -1.73951902998606 0.156926234052161 M313T51_2 312.862508869506 312.861168642769 312.863849096243 50.8284239811648 49.8624328599887 51.7944151023409 2 2 0 5842 [M+H]+ 311.855 5842 Found [M+H]+/[M-H]- Inf -3.79214570567922 0.0192332833800444 Inf -3.79214570567922 0.0192332833800444 M314T364 313.877876573821 313.877788807611 313.878618620162 363.932522959861 363.794988521616 365.165533721502 5 5 0 460 [M+H]+ 312.871 460 Found [M+H]+/[M-H]- 85.7326870192928 -3.65278909957411 0.021578561120859 85.7326870192928 -3.65278909957411 0.021578561120859 M317T51 316.722023385893 316.721811223113 316.722235548672 51.0388465621998 50.8226098386928 51.2550832857068 2 2 0 2328 [M+H]+ 315.715 2328 Found [M+H]+/[M-H]- Inf -2.47085363893937 0.0688836075010477 Inf -2.47085363893937 0.0688836075010477 M321T1006 320.885504619258 320.884918212891 320.885750438652 1006.05998626337 1003.60096153846 1009.67442110246 11 5 4 4557 [M+H]+ 319.878 4557 Found [M+H]+/[M-H]- 1.27884905722825 1.01692947281213 0.343055614349243 1.27884905722825 1.01692947281213 0.343055614349243 M321T384 321.055375303472 321.052337646484 321.055878929779 383.6513127124 382.791152530511 393.433022220703 4 3 1 7728 [M+H]+ 320.048 7728 Found [M+H]+/[M-H]- 60.3363192647891 -1.76543142642637 0.152122010082616 60.3363192647891 -1.76543142642637 0.152122010082616 M323T1005 322.885806150737 322.884683625857 322.886047597459 1004.64107608137 1003.9892582643 1008.93059119095 10 5 4 2221 [M+H]+ 321.879 2221 Found [M+H]+/[M-H]- 1.10830603670205 -0.50469531145339 0.640877628967338 1.10830603670205 -0.50469531145339 0.640877628967338 M324T1028 323.899652929707 323.899156449426 323.900316839456 1028.07331014206 1020.59826362951 1035.83565519112 4 1 2 8566 [M+H]+ 322.892 [M+H]+ 322.892 8566 Found [M+H]+/[M-H]- 1.36261403999257 1.48780152226815 0.20066238946624 1.36261403999257 1.48780152226815 0.20066238946624 M325T1006 324.881032455553 324.879736316591 324.882045618129 1005.6172023035 1004.37174911799 1009.32730110289 10 5 4 [M+K]+ 285.914 4544 [M+H]+ 323.874 4544 Found [M+H]+/[M-H]- 1.13193525757731 -0.421398246798058 0.697266804650962 1.13193525757731 -0.421398246798058 0.697266804650962 M325T414 325.092195882768 325.091979307601 325.092302549254 413.950617103345 403.947022851854 414.631599565668 6 5 0 4065 [M+H]+ 324.085 4065 Found [M+H]+/[M-H]- Inf -2.13992562004556 0.0990960956360052 Inf -2.13992562004556 0.0990960956360052 M326T308 326.076263161685 326.075190810314 326.081817626953 308.419776853653 304.899165885198 316.593182496593 4 2 1 3364 [M+H]+ 325.069 3364 Found [M+H]+/[M-H]- 29.4831872537894 -1.57396496971928 0.190179718812356 29.4831872537894 -1.57396496971928 0.190179718812356 M326T326 326.087324109518 326.087005678648 326.087452666592 326.210175059406 325.844146427106 326.72264012232 4 4 0 [M+K]+ 287.121 [M+Na]+ 303.095 [M+H]+ 325.077 2133 [M+H]+ 325.077 2133 Found [M+H]+/[M-H]- Inf -1.56728066484698 0.192117498281813 Inf -1.56728066484698 0.192117498281813 M327T48 326.903842386392 326.903375249823 326.904754638672 47.7280724016611 47.2893444194866 48.140008716771 8 4 4 7348 [M+H]+ 325.897 7348 Found [M+H]+/[M-H]- 2.28229042670204 2.33586471348839 0.0711146267793772 2.28229042670204 2.33586471348839 0.0711146267793772 M328T358 328.103088250375 328.102983682336 328.103192818413 357.649103598512 356.999960102696 358.298247094328 2 2 0 6869 [M+H]+ 327.096 6869 Found [M+H]+/[M-H]- Inf -1.66690020960394 0.170861868839609 Inf -1.66690020960394 0.170861868839609 M328T58 328.060918050083 328.060860997411 328.061212075219 57.8658915495406 57.5241508065506 59.0766980845476 3 3 0 [M+K]+ 289.103 [M+Na]+ 305.077 [M+H]+ 327.058 2091 [M+H]+ 327.058 2091 Found [M+H]+/[M-H]- Inf -2.07177674185372 0.107014561643471 Inf -2.07177674185372 0.107014561643471 M329T1012 328.826318509179 328.824547786822 328.82679974094 1011.87581464402 1008.49421643553 1023.38581464402 3 0 2 7244 [M+H]+ 327.819 7244 Found [M+H]+/[M-H]- 5.64884690014557 2.24881703794897 0.0955109559820455 5.64884690014557 2.24881703794897 0.0955109559820455 M329T311_2 329.08070265946 329.080139904909 329.086315805845 310.899402497222 310.571112806032 312.391155871109 3 3 0 505 [M+H]+ 328.073 505 Found [M+H]+/[M-H]- Inf -2.06494900144844 0.107845673791392 Inf -2.06494900144844 0.107845673791392 M333T496 333.180461453709 333.180401635249 333.18061087928 496.368713852023 494.731342987688 496.638507974246 3 3 0 214 [M+H]+ 332.173 214 Found [M+H]+/[M-H]- Inf -1.41424898463285 0.230190000563733 Inf -1.41424898463285 0.230190000563733 M335T49 334.918633730793 334.918593144996 334.918674316591 48.5442614196086 48.3944583802121 48.6940644590051 2 2 0 59 [M+H]+ 333.911 59 Found [M+H]+/[M-H]- Inf -1.58723856810229 0.187649627583487 Inf -1.58723856810229 0.187649627583487 M335T52 334.841445856928 334.840906421691 334.841985292166 51.975138620501 51.7944151023409 52.1558621386612 2 2 0 [M+Na]+ 311.852 3632 [M+H]+ 333.834 3632 Found [M+H]+/[M-H]- Inf -1.62948876517736 0.178542296590059 Inf -1.62948876517736 0.178542296590059 M337T300 337.077162989981 337.072286881664 337.080856254108 299.950191326981 291.14137524346 311.14095111293 6 2 1 3448 [M+H]+ 336.07 3448 Found [M+H]+/[M-H]- 3.06376880539939 -0.834131984181514 0.439300300920081 3.06376880539939 -0.834131984181514 0.439300300920081 M338T490 338.190694235378 338.190419186743 338.191497921007 490.468010997573 489.276049763106 491.070423387894 4 4 0 4125 [M+H]+ 337.183 4125 Found [M+H]+/[M-H]- Inf -2.87103905694034 0.0454210319432771 Inf -2.87103905694034 0.0454210319432771 M339T435 339.107602053087 339.106808300328 339.108074667932 435.097057465871 433.867120974648 443.411809922235 7 5 0 3691 [M+H]+ 338.1 3691 Found [M+H]+/[M-H]- Inf -1.27301381343313 0.271968157288854 Inf -1.27301381343313 0.271968157288854 M341T349_1 340.888866937272 340.887697551631 340.889303921913 349.079286451013 345.765291021354 356.346327597561 10 5 2 1499 [M+H]+ 339.882 1499 Found [M+H]+/[M-H]- 9.91262811166243 -2.36375311707312 0.0735527441613624 9.91262811166243 -2.36375311707312 0.0735527441613624 M341T358 341.086979247235 341.08693626913 341.087022225341 357.675155254332 357.445679365451 357.904631143212 2 2 0 6871 [M+H]+ 340.08 6871 Found [M+H]+/[M-H]- Inf -1.73673091435178 0.157438520262422 Inf -1.73673091435178 0.157438520262422 M341T467 341.123286580807 341.12318916809 341.123394741922 466.970096500128 459.092123900456 468.943197559884 7 4 0 440 [M+H]+ 340.116 440 Found [M+H]+/[M-H]- Inf -2.09086400134141 0.104728405666855 Inf -2.09086400134141 0.104728405666855 M343T351 342.885797532513 342.885472292829 342.887281052838 350.959499027615 346.249591233381 355.530450666 3 3 0 7013 [M+H]+ 341.879 7013 Found [M+H]+/[M-H]- Inf -2.44466923378268 0.070850930063362 Inf -2.44466923378268 0.070850930063362 M343T47 342.942810058594 342.942565917969 342.945617675781 46.6790817572645 46.5036266065663 57.3407858532816 3 3 0 6309 [M+H]+ 341.936 6309 Found [M+H]+/[M-H]- Inf -2.76559172676237 0.0505588661550123 Inf -2.76559172676237 0.0505588661550123 M343T63 343.050079570186 343.047587718304 343.054235971 62.962589583997 62.427203789073 68.1239290152895 4 4 0 [M+Na+CF3COOH]+ 186.066 193 [M+H]+ 342.043 193 Found [M+H]+/[M-H]- Inf -9.1090640653583 0.000805645750999506 Inf -9.1090640653583 0.000805645750999506 M345T368 345.154681522625 345.154583227528 345.155029296875 368.430936674771 367.780084396633 370.716573680189 5 4 0 [M+H-COCH2]+ 386.158 17 [M+H]+ 344.147 17 Found [M+H]+/[M-H]- Inf -2.09142399756724 0.104662152176142 Inf -2.09142399756724 0.104662152176142 M347T414 347.164181297398 347.160186415654 347.166589109865 413.513951084317 412.303173613619 414.1285678325 4 4 0 111 [M+H]+ 346.157 111 Found [M+H]+/[M-H]- Inf -1.91540182758919 0.127947178583775 Inf -1.91540182758919 0.127947178583775 M347T51 346.774661995527 346.77439313349 346.775168436578 51.2077813990735 50.8226098386928 51.2879696237028 5 5 0 2359 [M+H]+ 345.767 2359 Found [M+H]+/[M-H]- Inf -7.13284784770922 0.00204282820355317 Inf -7.13284784770922 0.00204282820355317 M347T536 347.170043989376 347.17003829043 347.170049688322 536.078843577861 536.056063514784 536.101623640938 2 2 0 458 [M+H]+ 346.163 458 Found [M+H]+/[M-H]- Inf -1.87506973285414 0.134042940128878 Inf -1.87506973285414 0.134042940128878 M348T284 348.089014803958 348.088174715552 348.089556815519 284.013743362671 283.843956779955 285.470696213489 3 3 0 241 [M+H]+ 347.082 241 Found [M+H]+/[M-H]- Inf -2.40721838765754 0.0737767629411252 Inf -2.40721838765754 0.0737767629411252 M348T490 348.227869908336 348.227609582033 348.228991636107 490.217468377058 489.76914589731 490.577536470994 3 3 0 6466 [M+H]+ 347.221 6466 Found [M+H]+/[M-H]- Inf -2.29845779334534 0.0830798781319484 Inf -2.29845779334534 0.0830798781319484 M349T371 349.149602942198 349.149483724198 349.15004252634 370.699132206538 369.680337624108 371.706100655644 4 4 0 7189 [M+H]+ 348.142 7189 Found [M+H]+/[M-H]- Inf -3.04367768649718 0.0382641879829566 Inf -3.04367768649718 0.0382641879829566 M351T52 350.815623006077 350.81558358777 350.816260381869 52.1558621386612 51.2879696237028 52.7250697854476 3 3 0 [M+K]+ 311.852 3632 [M+H]+ 349.808 3632 Found [M+H]+/[M-H]- Inf -2.05122673452547 0.109537624876702 Inf -2.05122673452547 0.109537624876702 M352T387 352.092601048473 352.092557170839 352.092644926108 386.753298193061 386.210276167124 387.296320218999 2 2 0 539 [M+H]+ 351.085 539 Found [M+H]+/[M-H]- Inf -2.81214740036414 0.048211481074985 Inf -2.81214740036414 0.048211481074985 M353T311 353.134456793315 353.134435235609 353.134625436809 310.745322903188 310.086842096105 311.38910471678 4 4 0 6073 [M+H]+ 352.127 6073 Found [M+H]+/[M-H]- Inf -1.86842959052873 0.135076267223834 Inf -1.86842959052873 0.135076267223834 M353T53 352.84807490784 352.847403861068 352.851961703001 53.2201329125331 53.1404004493558 56.3129827788409 3 3 0 2736 [M+H]+ 351.841 2736 Found [M+H]+/[M-H]- Inf -2.14993553530685 0.0979886903158116 Inf -2.14993553530685 0.0979886903158116 M356T336 356.097666886482 356.097586899753 356.097746873211 335.901005227463 335.669986869198 336.132023585727 2 2 0 [M+Na+NH3]+ 316.08 502 [M+H]+ 355.09 502 Found [M+H]+/[M-H]- Inf -1.72329691286406 0.159931797231753 Inf -1.72329691286406 0.159931797231753 M356T481 355.81085341582 355.806774116973 355.811504583165 481.008077895583 476.304387430239 485.298236508249 4 2 1 4084 [M+H]+ 354.804 4084 Found [M+H]+/[M-H]- 1.36587990242163 0.247777627783746 0.816470297802869 1.36587990242163 0.247777627783746 0.816470297802869 M358T507 358.064242645433 358.063618491183 358.064908767888 507.351965747984 506.162144895373 507.584554362668 6 2 4 6085 [M+H]+ 357.057 6085 Found [M+H]+/[M-H]- 1.38457902266969 -0.812309857954029 0.444300885119468 1.38457902266969 -0.812309857954029 0.444300885119468 M359T247 359.072892588972 359.072890234425 359.072894943519 247.300120890262 246.108668561831 248.491573218692 2 2 0 2495 [M+H]+ 358.066 2495 Found [M+H]+/[M-H]- Inf -2.05743352474508 0.108768735428067 Inf -2.05743352474508 0.108768735428067 M359T51_1 358.707381621773 358.707238609866 358.707524633679 51.2683487192277 51.2550832857068 51.2816141527486 2 2 0 2338 [M+H]+ 357.7 2338 Found [M+H]+/[M-H]- Inf -2.15082957287394 0.0978904529084828 Inf -2.15082957287394 0.0978904529084828 M361T408 361.149568116251 361.149238780846 361.150043108292 408.224152094469 406.814558957014 415.303317325433 7 5 0 [M+Na]+ 338.166 389 [M+H]+ 360.142 389 Found [M+H]+/[M-H]- Inf -2.72734085168877 0.0525869673395305 Inf -2.72734085168877 0.0525869673395305 M361T51_1 360.704258494011 360.697265625 360.704273638192 51.2815708720365 51.2550832857068 63.9933316462373 3 2 1 2347 [M+H]+ 359.697 2347 Found [M+H]+/[M-H]- 26.1383617535629 -2.09420095314484 0.103378596544584 26.1383617535629 -2.09420095314484 0.103378596544584 M363T51 362.748451739607 362.747425550832 362.748834411794 51.0552897311978 50.4051967528638 51.7612360112204 4 4 0 2361 [M+H]+ 361.741 2361 Found [M+H]+/[M-H]- Inf -4.33856867561109 0.012266735366758 Inf -4.33856867561109 0.012266735366758 M363T729 362.873641839877 362.872771961004 362.87451171875 728.775212800403 727.677300058536 729.873125542271 2 2 0 783 [M+H]+ 361.866 783 Found [M+H]+/[M-H]- Inf -1.61577006092446 0.181448098376835 Inf -1.61577006092446 0.181448098376835 M365T323 365.113118525161 365.109893798828 365.113164677768 322.650616953102 322.248544503453 326.170106042827 3 2 1 [3M+2K-H]+ 96.062 1925 [M+H]+ 364.106 1925 Found [M+H]+/[M-H]- 23.8308353936722 -1.58417935900376 0.187650659998475 23.8308353936722 -1.58417935900376 0.187650659998475 M367T420 366.904291547983 366.904179092148 366.904822313782 419.737406398973 419.729918704956 420.468356060753 3 3 0 18 [M+H]+ 365.897 18 Found [M+H]+/[M-H]- Inf -2.31849779335109 0.0812705189392493 Inf -2.31849779335109 0.0812705189392493 M367T503 367.138992068054 367.138533585553 367.139577461137 502.861436495849 487.736146003219 506.324807177322 6 3 0 5196 [M+H]+ 366.132 5196 Found [M+H]+/[M-H]- Inf -1.76773721285664 0.151839810723524 Inf -1.76773721285664 0.151839810723524 M369T305 369.034459740083 369.033891236708 369.035028243459 304.715661516113 303.98571198581 305.445611046416 2 2 0 3132 [M+H]+ 368.027 3132 Found [M+H]+/[M-H]- Inf -1.78280351455727 0.149196074344237 Inf -1.78280351455727 0.149196074344237 M369T494 369.153223593798 369.148886515626 369.156096102416 493.756568870316 491.257570630353 496.847520030027 7 5 0 324 [M+H]+ 368.146 324 Found [M+H]+/[M-H]- Inf -1.6956068126407 0.165203379372053 Inf -1.6956068126407 0.165203379372053 M369T504 369.173147335121 369.173004537611 369.173294199007 504.338223586684 499.736356329699 508.746161959637 10 5 0 2404 [M+H]+ 368.166 2404 Found [M+H]+/[M-H]- Inf -2.33129908011315 0.0801379751542572 Inf -2.33129908011315 0.0801379751542572 M371T50 370.734888005452 370.73384800125 370.736034662515 50.3907155634095 49.990186792001 50.8173121603827 3 3 0 [3M+2K-H]+ 97.9384 97 [M+H]+ 369.728 97 Found [M+H]+/[M-H]- Inf -2.33766554107381 0.0795813624965933 Inf -2.33766554107381 0.0795813624965933 M372T508 372.171742220276 372.171538938263 372.17194550229 507.670371844467 507.066736541113 508.274007147821 2 2 0 7035 [M+H]+ 371.164 7035 Found [M+H]+/[M-H]- Inf -1.40916858877407 0.231576797277983 Inf -1.40916858877407 0.231576797277983 M373T352 373.103111024295 373.101328757012 373.103715529056 351.533944689738 351.105091158035 353.437553596145 3 3 0 4009 [M+H]+ 372.096 4009 Found [M+H]+/[M-H]- Inf -2.15639508522097 0.0972813670755852 Inf -2.15639508522097 0.0972813670755852 M374T372 374.115915806801 374.109433431356 374.116052999611 372.191315432226 364.281368116225 372.904727122929 3 3 0 105 [M+H]+ 373.109 105 Found [M+H]+/[M-H]- Inf -1.92971697657835 0.125856356625937 Inf -1.92971697657835 0.125856356625937 M376T353 376.217734190238 376.217383945187 376.218026349347 353.493933541477 352.017546349235 354.608411212611 7 3 4 [M+K]+ 337.249 471 [M+H]+ 375.21 471 Found [M+H]+/[M-H]- 2.76956129637141 3.28175425630182 0.0153605727564661 2.76956129637141 3.28175425630182 0.0153605727564661 M377T378 377.016479460277 377.016363792321 377.016548049035 377.519310634046 374.425817901162 379.038187273704 3 3 0 144 [M+H]+ 376.009 144 Found [M+H]+/[M-H]- Inf -1.51638682003513 0.204012152231595 Inf -1.51638682003513 0.204012152231595 M381T294 380.974681887912 380.973686165486 380.975677610338 293.772919494438 293.070669572271 294.475169416604 2 2 0 10 [M+H]+ 379.967 10 Found [M+H]+/[M-H]- Inf -1.61840492829843 0.180886209869185 Inf -1.61840492829843 0.180886209869185 M385T433 385.148076083762 385.148014828612 385.148885188993 432.71904351469 432.027957184044 433.635704685427 3 3 0 3814 [M+H]+ 384.141 3814 Found [M+H]+/[M-H]- Inf -2.30320317519427 0.0826473669780443 Inf -2.30320317519427 0.0826473669780443 M386T431 386.189541604676 386.18947592875 386.189607280602 430.80791527106 428.727027260229 432.888803281891 2 2 0 7365 [M+H]+ 385.182 7365 Found [M+H]+/[M-H]- Inf -1.63187740481273 0.17804131851652 Inf -1.63187740481273 0.17804131851652 M386T433 386.151294971584 386.151156432429 386.151433510739 433.421051612666 432.71904351469 434.123059710641 2 2 0 47 [M+H]+ 385.144 47 Found [M+H]+/[M-H]- Inf -1.62365555098601 0.179771891677827 Inf -1.62365555098601 0.179771891677827 M387T396 387.201619439517 387.201483448013 387.201866190751 395.518885563034 394.875757945368 397.08153121924 5 5 0 3494 [M+H]+ 386.194 3494 Found [M+H]+/[M-H]- Inf -1.61436321598861 0.181748851469845 Inf -1.61436321598861 0.181748851469845 M387T419 387.184002597632 387.179193617068 387.184346008977 419.077723332698 417.779722028301 420.461230277245 5 5 0 175 [M+H]+ 386.177 175 Found [M+H]+/[M-H]- Inf -1.4538706753293 0.219655419192871 Inf -1.4538706753293 0.219655419192871 M388T387 388.060697824601 388.060637076151 388.060758573051 386.996777394273 386.697234569547 387.296320218999 2 2 0 8291 [M+H]+ 387.053 8291 Found [M+H]+/[M-H]- Inf -2.10003673409801 0.103648988176451 Inf -2.10003673409801 0.103648988176451 M389T400 389.217229423615 389.217072292844 389.217671308404 400.416209443794 399.619476738922 401.328525478552 5 5 0 4442 [M+H]+ 388.21 4442 Found [M+H]+/[M-H]- Inf -1.80858247651622 0.14478572639011 Inf -1.80858247651622 0.14478572639011 M389T437 389.217095917825 389.216948316545 389.217611299993 436.722063444441 433.173591052493 438.00413334797 6 4 0 309 [M+H]+ 388.21 309 Found [M+H]+/[M-H]- Inf -1.77130789597989 0.151208773740036 Inf -1.77130789597989 0.151208773740036 M389T45 388.935751884604 388.935639107448 388.935882568359 45.4458714614102 45.1420341854799 45.6137404804367 4 3 1 2844 [M+H]+ 387.928 2844 Found [M+H]+/[M-H]- 41.688957516204 -2.44837292137605 0.0701131770333263 41.688957516204 -2.44837292137605 0.0701131770333263 M390T436 390.220427188093 390.220062712071 390.220838804063 435.865574659228 433.698355803669 438.00413334797 4 2 0 2286 [M+H]+ 389.213 2286 Found [M+H]+/[M-H]- Inf -1.52331016988743 0.202350785098146 Inf -1.52331016988743 0.202350785098146 M391T310 391.10360646719 391.103540924697 391.103711139357 310.009679446113 309.590259925293 310.405710365239 4 4 0 [M+H]+ 390.093 23 [M+H]+ 390.093 23 Found [M+H]+/[M-H]- Inf -2.8201386500788 0.0478213896538708 Inf -2.8201386500788 0.0478213896538708 M393T370 393.049146572012 393.049120650556 393.049172493468 369.87456314261 368.707308308432 371.041817976789 2 2 0 4150 [M+H]+ 392.042 [M+H]+ 392.042 4150 Found [M+H]+/[M-H]- Inf -1.69780820052666 0.16477765976972 Inf -1.69780820052666 0.16477765976972 M398T434 397.997987159634 397.99292490153 398.000255739612 434.398791528722 406.625520323022 449.502874491795 10 1 3 7995 [M+H]+ 396.991 7995 Found [M+H]+/[M-H]- 1.0715625788681 0.143395266191385 0.890311139431375 1.0715625788681 0.143395266191385 0.890311139431375 M403T271 403.108774034895 403.108742694702 403.108805375088 271.353136309588 269.8337643483 272.872508270876 2 2 0 156 [M+H]+ 402.101 156 Found [M+H]+/[M-H]- Inf -2.00334334576068 0.115674179267917 Inf -2.00334334576068 0.115674179267917 M405T340 405.212241244628 405.211728522734 405.212466828965 339.832171679873 339.326427009366 341.733341675605 4 4 0 6327 [M+H]+ 404.205 6327 Found [M+H]+/[M-H]- Inf -3.05044481994121 0.0380116960897761 Inf -3.05044481994121 0.0380116960897761 M409T47 408.933074951172 408.932510343539 408.933481508875 47.2893444194866 46.5874147234747 47.312894757857 3 3 0 [2M+H]+ 203.975 444 [M+H]+ 407.926 444 Found [M+H]+/[M-H]- Inf -2.1132814971231 0.10211203707463 Inf -2.1132814971231 0.10211203707463 M411T1005 410.861944222252 410.86097679709 410.863035053369 1005.43178723462 1004.37174911799 1005.81085297771 4 2 2 6430 [M+H]+ 409.855 6430 Found [M+H]+/[M-H]- 1.39241234729262 -0.424140074193788 0.684198703159795 1.39241234729262 -0.424140074193788 0.684198703159795 M413T1004 412.893424874977 412.893183295474 412.89351701916 1004.45832098094 1004.37174911799 1005.6277562833 3 1 2 2222 [M+H]+ 411.886 2222 Found [M+H]+/[M-H]- 1.2886040901234 0.384987713260345 0.716317484091937 1.2886040901234 0.384987713260345 0.716317484091937 M413T434 413.199169603437 413.199162016898 413.199521746712 433.655180504409 433.206689361401 434.123059710641 3 3 0 6033 [M+H]+ 412.192 6033 Found [M+H]+/[M-H]- Inf -1.73893495204494 0.157033405737969 Inf -1.73893495204494 0.157033405737969 M416T643 416.081500376657 416.080394025443 416.081855332296 642.913846166646 636.074289892943 654.827879843332 7 4 2 8876 [M+H]+ 415.074 8876 Found [M+H]+/[M-H]- 1.06839487901525 0.10791868865868 0.92012591506522 1.06839487901525 0.10791868865868 0.92012591506522 M427T344 427.006530537592 427.006125618819 427.007080078125 344.017998204954 342.804479587958 346.710632611404 3 3 0 5868 [M+H]+ 425.999 5868 Found [M+H]+/[M-H]- Inf -1.46141810705949 0.217704250729132 Inf -1.46141810705949 0.217704250729132 M431T416 431.181329586113 431.181174145922 431.181496518401 416.101170390247 414.822097567148 417.548164271395 3 3 0 1860 [M+H]+ 430.174 1860 Found [M+H]+/[M-H]- Inf -1.61102748907612 0.182464027280398 Inf -1.61102748907612 0.182464027280398 M431T475 431.173608671405 431.171539306641 431.174921113698 475.369760673371 473.915913818846 475.87445923857 5 5 0 291 [M+H]+ 430.166 291 Found [M+H]+/[M-H]- Inf -3.07337785008289 0.0371704410688634 Inf -3.07337785008289 0.0371704410688634 M441T425 441.165210195991 441.163682340899 441.166286232073 424.870491003868 424.158233136534 425.805275360254 3 3 0 355 [M+H]+ 440.158 355 Found [M+H]+/[M-H]- Inf -1.96363080664011 0.121049725531424 Inf -1.96363080664011 0.121049725531424 M445T378 445.053073359717 445.052818753958 445.053327965476 378.275938461623 377.994412606228 378.557464317018 2 2 0 [M+K]+ 406.09 12 [M+H]+ 444.046 12 Found [M+H]+/[M-H]- Inf -1.32166448400495 0.256801866329857 Inf -1.32166448400495 0.256801866329857 M445T517 445.160420111751 445.159970540249 445.161319517715 516.638537263276 516.348888956524 516.897385610619 4 4 0 [3M+2Na+2K-H]3+ 404.193 76 [M+H]+ 444.153 76 Found [M+H]+/[M-H]- Inf -2.03602453063364 0.111446239719703 Inf -2.03602453063364 0.111446239719703 M447T438 447.222394808586 447.222176438356 447.225347088723 438.49730382192 436.948045999057 438.604639521071 3 3 0 4990 [M+H]+ 446.215 4990 Found [M+H]+/[M-H]- Inf -1.97555342163533 0.119407742686441 Inf -1.97555342163533 0.119407742686441 M447T727 447.169952973018 447.169407344861 447.170856201544 726.951331021591 722.937197453081 730.568552428223 8 4 4 462 [M+H]+ 446.163 462 Found [M+H]+/[M-H]- 1.11147583015642 0.487774092774386 0.640756465291498 1.11147583015642 0.487774092774386 0.640756465291498 M451T655 451.259654161878 451.259318241227 451.259823585661 654.827879843332 653.876381328338 654.933566705796 3 3 0 [3M+2Na+2K-H]3+ 410.291 159 [M+H]+ 450.252 159 Found [M+H]+/[M-H]- Inf -2.22563302037228 0.0900466655445795 Inf -2.22563302037228 0.0900466655445795 M465T545 464.971961552975 464.971506078367 464.972498769866 544.858097400289 544.849207786727 545.265755771312 3 3 0 568 [M+H]+ 463.965 568 Found [M+H]+/[M-H]- Inf -1.70712150856261 0.16298932592144 Inf -1.70712150856261 0.16298932592144 M466T545 465.97548360716 465.97476546415 465.97620175017 545.0619265858 544.858097400289 545.265755771312 2 2 0 7101 [M+H]+ 464.968 7101 Found [M+H]+/[M-H]- Inf -1.31852096510875 0.25775652386559 Inf -1.31852096510875 0.25775652386559 M467T545 466.968758520551 466.968087512642 466.969573974609 544.858097400289 540.022523549179 545.265755771312 3 3 0 7100 [M+H]+ 465.961 7100 Found [M+H]+/[M-H]- Inf -1.67677520609627 0.168892757030171 Inf -1.67677520609627 0.168892757030171 M471T47 470.903900146484 470.903289794922 470.904205322266 46.6614736147476 46.5036266065663 46.6790817572645 3 3 0 6312 [M+H]+ 469.897 6312 Found [M+H]+/[M-H]- Inf -2.44854089356896 0.0705560513625181 Inf -2.44854089356896 0.0705560513625181 M475T434 475.14975846931 475.149495505553 475.150021433066 433.667030244548 433.635704685427 433.698355803669 2 2 0 6035 [M+H]+ 474.142 6035 Found [M+H]+/[M-H]- Inf -1.60287099722134 0.184225088265297 Inf -1.60287099722134 0.184225088265297 M481T488 481.20697051409 481.206826775812 481.207085415891 487.769126447969 487.290809110185 488.725000605613 5 5 0 255 [M+H]+ 480.2 255 Found [M+H]+/[M-H]- Inf -1.98891935822285 0.117595844155827 Inf -1.98891935822285 0.117595844155827 M483T455 483.250154689907 483.248502558168 483.251806821646 454.508808578783 454.314658218874 454.702958938693 2 2 0 204 [M+H]+ 482.243 204 Found [M+H]+/[M-H]- Inf -1.66697325537557 0.170847215257564 Inf -1.66697325537557 0.170847215257564 M487T47 486.881176911879 486.880310058594 486.882385253906 46.6229259848138 46.5036266065663 46.6790817572645 4 4 0 6313 [M+H]+ 485.874 6313 Found [M+H]+/[M-H]- Inf -2.14755003359936 0.0982513472470212 Inf -2.14755003359936 0.0982513472470212 M487T654 487.226608122837 487.226309784251 487.226906461423 654.081939307172 653.876381328338 654.287497286007 2 2 0 [M+K]+ 448.258 880 [M+H]+ 486.219 880 Found [M+H]+/[M-H]- Inf -1.60691863103177 0.183348975602879 Inf -1.60691863103177 0.183348975602879 M491T393 491.15616534765 491.154912615204 491.157418080095 392.622595009617 391.592066148964 393.65312387027 2 2 0 4855 [M+H]+ 490.149 4855 Found [M+H]+/[M-H]- Inf -1.29790951180406 0.264102020909296 Inf -1.29790951180406 0.264102020909296 M497T436 497.22865985226 497.227319334354 497.232391357422 435.562174658281 434.850477702713 436.550212764692 4 4 0 60 [M+H]+ 496.221 60 Found [M+H]+/[M-H]- Inf -1.52180807220797 0.202710061260212 Inf -1.52180807220797 0.202710061260212 M503T518 503.22162663064 503.221325665978 503.221836553936 517.574242986207 515.319575308096 519.758090664207 4 2 0 5263 [M+H]+ 502.214 5263 Found [M+H]+/[M-H]- Inf -1.5925456244701 0.186479708884656 Inf -1.5925456244701 0.186479708884656 M504T520 504.22554162733 504.225300207627 504.225783047033 519.711850224673 519.665609785139 519.758090664207 2 2 0 5214 [M+H]+ 503.218 5214 Found [M+H]+/[M-H]- Inf -1.63216174288119 0.177981780793587 Inf -1.63216174288119 0.177981780793587 M519T454 519.21576636572 519.213256835938 519.218565612568 454.314658218874 444.823929276399 454.702958938693 3 3 0 204 [M+H]+ 518.208 204 Found [M+H]+/[M-H]- Inf -1.78146212661122 0.149429452395154 Inf -1.78146212661122 0.149429452395154 M519T46 518.895871108706 518.893060576787 518.898681640625 46.0286461813486 46.018742776256 46.0385495864412 2 2 0 6314 [M+H]+ 517.889 6314 Found [M+H]+/[M-H]- Inf -2.35928282748964 0.0777237023940596 Inf -2.35928282748964 0.0777237023940596 M524T353 524.33059784634 524.327407964818 524.334932378496 353.055634045196 343.775887067181 361.951974415093 4 2 1 2475 [M+H]+ 523.323 2475 Found [M+H]+/[M-H]- 8.97210777056487 -1.42700345770314 0.222526944639204 8.97210777056487 -1.42700345770314 0.222526944639204 M526T465 526.273267626581 526.272815324395 526.273719928767 465.310947667429 465.122701745906 465.499193588953 2 2 0 5492 [M+H]+ 525.266 5492 Found [M+H]+/[M-H]- Inf -1.6094434356219 0.182804668179346 Inf -1.6094434356219 0.182804668179346 M530T351 530.223445965136 530.222971453925 530.223920476346 350.87600977551 350.223280108963 351.528739442058 2 2 0 4345 [M+H]+ 529.216 4345 Found [M+H]+/[M-H]- Inf -1.58196247709378 0.188820236442732 Inf -1.58196247709378 0.188820236442732 M541T449 541.253482133701 541.253266315565 541.253697951836 449.351526681585 448.908427008875 449.794626354296 2 2 0 [3M+2Na+2K-H]3+ 500.286 127 [M+H]+ 540.246 127 Found [M+H]+/[M-H]- Inf -1.43356721645693 0.224991948993155 Inf -1.43356721645693 0.224991948993155 M543T423 543.270669846877 543.269159433075 543.27218026068 423.38027855043 422.906702684041 423.853854416818 2 2 0 675 [M+H]+ 542.263 675 Found [M+H]+/[M-H]- Inf -1.62479093748512 0.179531872836614 Inf -1.62479093748512 0.179531872836614 M54T468 53.8198507856852 53.8174234586896 53.8202382908093 467.566456178757 453.496964874538 475.476895918056 4 1 2 3227 [M+H]+ 52.8126 3227 Found [M+H]+/[M-H]- 1.09208802537555 0.076280962256747 0.941441773134348 1.09208802537555 0.076280962256747 0.941441773134348 M55T380 54.5962586774994 54.5949211120605 54.5975962429383 379.954398489228 378.088764377051 381.820032601405 2 2 0 1342 [M+H]+ 53.589 1342 Found [M+H]+/[M-H]- Inf -1.41482194151034 0.230034120599514 Inf -1.41482194151034 0.230034120599514 M65T329 64.9470832654489 64.9460601806641 64.9481063502336 329.155101965955 324.71564086857 333.594563063341 2 2 0 2856 [M+H]+ 63.9398 2856 Found [M+H]+/[M-H]- Inf -1.52080084475342 0.202951337316363 Inf -1.52080084475342 0.202951337316363 M69T360 68.5217170715332 68.5191802978516 68.5242538452148 359.673462828629 355.551937135641 363.794988521616 2 2 0 262 [M+H]+ 67.5144 262 Found [M+H]+/[M-H]- Inf -1.57031720473371 0.191430715762585 Inf -1.57031720473371 0.191430715762585 M73T455 73.042656248927 73.0421759011744 73.0431365966797 454.602963557062 452.576458962273 456.629468151851 2 2 0 3896 [M+H]+ 72.0354 3896 Found [M+H]+/[M-H]- Inf -2.18517513913088 0.094198223429578 Inf -2.18517513913088 0.094198223429578 M73T54 72.943079154868 72.9430570226702 72.9432177076005 53.7035746392664 52.2094235483546 54.3525769271825 5 4 1 1900 [M+H]+ 71.9358 1900 Found [M+H]+/[M-H]- 17.3641305066288 -1.64493767327146 0.173904093832919 17.3641305066288 -1.64493767327146 0.173904093832919 M77T61 77.0066520269921 77.00654822463 77.0101278808137 60.5025054312122 59.4341436628182 61.0397450513143 5 5 0 84 [M+H]+ 75.9994 84 Found [M+H]+/[M-H]- Inf -8.16749110727219 0.00122347244112264 Inf -8.16749110727219 0.00122347244112264 M78T435 77.7379382876298 77.7341995239258 77.7416770513339 434.75225785091 433.654532402914 435.849983298905 2 0 2 3685 [M+H]+ 76.7307 3685 Found [M+H]+/[M-H]- Inf 2.2109236803094 0.114003340598802 Inf 2.2109236803094 0.114003340598802 M81T53 80.9747865690196 80.9747476642569 80.9748323169076 52.7535300897919 49.9482648563086 68.6267991730921 12 5 3 2712 [M+H]+ 79.9675 2712 Found [M+H]+/[M-H]- 55.643969622804 -16.7143142011727 6.6167615008883e-05 55.643969622804 -16.7143142011727 6.6167615008883e-05 M83T52 82.971809471534 82.9717874368315 82.9719042943221 52.3341372188327 51.4610251394509 65.2890724463955 9 5 3 2713 [M+H]+ 81.9645 2713 Found [M+H]+/[M-H]- 76.035201103042 -14.3372258721169 0.000127321320986695 76.035201103042 -14.3372258721169 0.000127321320986695 M86T311_2 86.0225629740722 86.0212608901801 86.0259255010638 310.571112806032 303.444573367983 318.315776650148 3 2 0 6064 [M+H]+ 85.0153 6064 Found [M+H]+/[M-H]- 3.58389168275239 -1.83273114515873 0.11058221674637 3.58389168275239 -1.83273114515873 0.11058221674637 M86T365 86.0376198837794 86.0334535737112 86.0417861938477 365.194405890584 361.490336293474 368.898475487694 2 0 2 2700 [M+H]+ 85.0303 2700 Found [M+H]+/[M-H]- 1.35902998830744 0.419826952896832 0.689757755476522 1.35902998830744 0.419826952896832 0.689757755476522 M86T419 86.0236408547756 86.0180929979031 86.0256179663797 419.488400614393 407.274452193971 426.34541610187 6 2 0 1728 [M+H]+ 85.0164 1728 Found [M+H]+/[M-H]- 3.9910944370495 -1.99764848698304 0.087945013683814 3.9910944370495 -1.99764848698304 0.087945013683814 M87T337 87.0199502464982 87.019907261533 87.0267369890098 336.857160220154 328.932758486912 344.28868709373 7 3 1 4643 [M+H]+ 86.0127 4643 Found [M+H]+/[M-H]- 1.0231555537257 0.0216918661556346 0.983578214014113 1.0231555537257 0.0216918661556346 0.983578214014113 M88T3 88.003937285107 88.003870306136 88.0039746411383 2.71092167699327 1.92957542883381 3.49564865755637 3 2 1 6803 [M+H]+ 86.9967 6803 Found [M+H]+/[M-H]- 2.33576893925853 -1.25666602118248 0.24997178856222 2.33576893925853 -1.25666602118248 0.24997178856222 M88T458 88.0185585021973 88.0152587890625 88.021858215332 457.959290701411 452.676572903508 463.242008499313 2 0 2 5602 [M+H]+ 87.0113 5602 Found [M+H]+/[M-H]- Inf 1.44852163980223 0.243310495086352 Inf 1.44852163980223 0.243310495086352 M89T64 89.0243134715871 89.024305313763 89.0243231692396 63.8922475455658 63.3707071240408 63.9963946755224 5 4 1 [M+H]+ 88.0182 7 [M+H]+ 88.0182 7 Found [M+H]+/[M-H]- 16.1528119551747 -1.03515204589124 0.359042148560027 16.1528119551747 -1.03515204589124 0.359042148560027 M91T1 91.0033922955555 91.0033753323285 91.0067366323557 1.41157542883381 1.35357583604733 2.35198434456501 3 2 1 1749 [M+H]+ 89.9961 1749 Found [M+H]+/[M-H]- 3.15067858492482 -2.98969115607355 0.0469844699556694 3.15067858492482 -2.98969115607355 0.0469844699556694 M91T339 91.0392595211286 91.0369474170237 91.0413033140847 339.179079677904 333.806024335278 343.775887067181 4 2 1 4054 [M+H]+ 90.032 4054 Found [M+H]+/[M-H]- 1.27508799527139 -0.767595915184883 0.47263895614649 1.27508799527139 -0.767595915184883 0.47263895614649 M91T39 91.0058136949774 91.0057984660018 91.005828923953 39.3535347020167 37.2530586504323 41.4540107536011 2 2 0 158 [M+H]+ 89.9985 158 Found [M+H]+/[M-H]- 1.92573609266283 -2.67072815023994 0.0381096040398106 1.92573609266283 -2.67072815023994 0.0381096040398106 M91T423 90.9909457133066 90.9907158124115 90.9913751844474 422.858327731071 422.212797352317 423.368109719466 4 2 2 5339 [M+H]+ 89.9837 5339 Found [M+H]+/[M-H]- 1.15287316165338 0.370332731499949 0.735566188411213 1.15287316165338 0.370332731499949 0.735566188411213 M91T489 91.0061254704578 91.0056699208023 91.006897304032 489.18888042301 475.866300646512 500.998044796665 11 4 3 5127 [M+H]+ 89.9988 5127 Found [M+H]+/[M-H]- 1.42711085805442 -1.39306056669814 0.234314698378762 1.42711085805442 -1.39306056669814 0.234314698378762 M93T1139 93.007435459113 93.0074176861003 93.0075309882347 1138.62792777493 1138.27211147432 1140.13540632002 4 3 1 [M+Na]+ 70.0196 1572 [M+H]+ 92.0002 1572 Found [M+H]+/[M-H]- 1.59009319750693 -0.681982679785331 0.523170237759166 1.59009319750693 -0.681982679785331 0.523170237759166 M94T350 94.3168182373047 94.3153457641602 94.3189315795898 349.607330357367 347.735718771342 358.059383781547 3 2 1 1473 [M+H]+ 93.3095 1473 Found [M+H]+/[M-H]- 2.80229014861983 -0.90073218215456 0.401405710076714 2.80229014861983 -0.90073218215456 0.401405710076714 M95T318 95.049995288381 95.0499807014968 95.0500098752651 317.554122209402 317.280399895152 317.827844523652 2 2 0 2905 [M+H]+ 94.0427 2905 Found [M+H]+/[M-H]- Inf -1.94473686063201 0.12370242993634 Inf -1.94473686063201 0.12370242993634 M95T51 94.9248156739247 94.9247322803157 94.9248737933546 51.2847918882257 50.3907155634095 51.7152796793536 8 5 3 [M+Na]+ 71.9347 [M+2Na]2+ 143.871 63 [M+H]+ 93.9175 63 Found [M+H]+/[M-H]- 37.4722940942457 -4.91560913738868 0.00781676528602571 37.4722940942457 -4.91560913738868 0.00781676528602571 M99T61 98.9555595192691 98.9554203289135 98.9590278194966 60.5444205123284 48.0328368453438 77.1960803122144 15 5 1 2597 [M+H]+ 97.9483 2597 Found [M+H]+/[M-H]- 203.432997864313 -5.93938762972869 0.00402557203229015 203.432997864313 -5.93938762972869 0.00402557203229015