Mercurial > repos > melpetera > batchcorrection
diff batchcorrection/tests/output/variableMetadata.tsv @ 2:016780b192a6 draft
Uploaded
author | melpetera |
---|---|
date | Thu, 02 Mar 2017 03:38:08 -0500 |
parents | |
children |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/batchcorrection/tests/output/variableMetadata.tsv Thu Mar 02 03:38:08 2017 -0500 @@ -0,0 +1,2823 @@ +variableMetadata mz mzmin mzmax rt rtmin rtmax npeaks blank sample isotopes adduct pcgroup fold tstat pvalue +M81.524T70 81.5235101268043 81.5219105921081 81.5238221865812 70.2978445132475 56.2058121098714 102.839656339658 89 3 26 12 2.97469946927957 -8.82742113937109 0.000518691855136311 +M81.523T36 81.5234951244646 81.5215680588398 81.5237712622929 35.9564798825821 5.9175845315306 48.3248083453773 60 3 26 1 23.4650836377063 -3.61956787639262 0.0684817241411202 +M81.524T124 81.5235401934833 81.521058735293 81.5239068393821 123.509653247624 103.521162299272 145.432719113821 55 2 19 15 1.02619614773344 -0.0644248350237252 0.953083384989653 +M81.605T62 81.6054803561257 81.6038984453999 81.6056507591202 61.7883589098523 35.2115845315306 96.4903861224106 75 3 25 [M+2H]2+ 161.193 424 2.75497400463374 -7.08538370799515 0.00181580628630051 +M81.633T44 81.6332373431105 81.63285540691 81.6334538367526 43.7069491262628 41.4716760861144 46.8164104556404 4 3 1 [M+2H]2+ 161.243 55 1.08372276452218 -0.308808175571569 0.779544973384615 +M82.025T59 82.0247798134743 82.0231091126149 82.0250713549211 59.4984069401054 35.1215560091358 104.202582379972 83 3 26 [M+H-COCH2]+ 123.033 424 1.65642196529623 -2.85505582153433 0.0082099816566803 +M82.523T47 82.5226807265998 82.5217879543643 82.5229953237472 46.8622532873413 44.1285139085929 63.937510957825 7 3 3 [M+2H-C6H10O5]2+ 325.088 55 2.72077213620903 -1.60576480511107 0.248170871495967 +M83.52T53 83.5199395150763 83.5181550649664 83.5200836563593 52.5451707546047 35.2115845315306 101.23101808913 56 3 23 829 2.65504702967607 -1.21259212501135 0.347844313604565 +M84.047T59 84.0469906961629 84.0466890929061 84.0473045282257 58.9569162184907 39.4164209930302 59.7913514678323 33 0 25 [M+H-HCOOH]+ 129.045 423 7.88634255202143 9.21970072776869 9.37748323437404e-10 +M85.531T75 85.5305276020198 85.5297395681327 85.5306701793419 75.3477153538007 75.3230243044018 75.4986201653264 3 3 0 1207 10.1674867994274 -9.11034282057344 0.0110791322846033 +M86.099T81 86.0992159988316 86.0973186179552 86.0994409590654 80.983782655646 73.4028824699218 84.3381483640636 55 0 27 [M+K]+ 47.1363 [M+Na]+ 63.1102 [M+H]+ 85.0921 26 892.459508866784 5.35626368845054 1.31554723692417e-05 +M86.521T43 86.5206902294923 86.5197256024465 86.520845513661 42.8344105609507 41.92780207457 43.4956728362821 29 3 26 245 4.24054749903061 7.22784291388529 7.89431751080372e-08 +M87.047T339 87.0467418597621 87.0458855812651 87.047012416981 339.275125714365 338.557520290367 340.392354562057 30 3 27 [M+2H-H20]2+ 190.091 169 1.02475288385423 -0.516760175983531 0.649096863542963 +M87.047T652 87.0467279041555 87.0460905684537 87.0469392135007 652.494626651351 652.413160225245 654.155090901521 3 3 0 159 1.06009637806536 -3.99184924578069 0.0157389535752861 +M87.058T40 87.0577200920649 87.0575187343923 87.0579626000581 39.6090554732441 39.2037763324719 40.1303318078436 24 0 24 256 201.307352339292 12.9206783223498 7.4273920347423e-13 +M89.063T255 89.0626356817774 89.0606893208442 89.0628193942431 255.094208460793 202.149186455241 287.406979361833 185 3 25 787 1.50398392513057 -0.422171506339641 0.71158160657157 +M89.063T170 89.062663661747 89.0605762102217 89.062859934364 170.245301257757 153.46053554301 187.834167568769 107 3 24 [1][M]+ 4 1.30319273255247 0.769988217805889 0.520591590665951 +M89.148T158 89.1480771662982 89.1458711261433 89.1482424133349 158.096550920486 154.510443207588 169.420428105868 5 2 3 24 1.85917373083249 1.07749916103817 0.389013763445907 +M89.51T1385 89.5096684701496 89.5078889574626 89.5098509507172 1385.04314451944 1383.45148070661 1401.33451962073 35 3 27 [2][M]2+ [M+2K]2+ 101.103 [M+Na+K]2+ 117.077 62 1.02771367933156 -0.899441515229112 0.394432791089645 +M90.011T1385 90.0107254019506 90.0103172001681 90.0109963551397 1384.9812826475 1382.67534056103 1387.35591551301 28 3 23 [2][M+1]2+ 62 1.11062198977736 0.735549600014365 0.533323539571853 +M90.058T40 90.0576945321485 90.0573868013596 90.0578235434729 40.2520533676341 39.4164209930302 40.6891486595365 15 0 15 257 Inf 10.0882984208095 1.76486159020328e-10 +M90.066T165 90.0658715564669 90.0639939782113 90.0660891611577 165.138427571137 154.008259554956 197.384154045535 46 3 24 [1][M+1]+ 4 1.58033440627317 -3.75798015081939 0.00495147240946125 +M90.066T264 90.0658095571677 90.0640352651514 90.065923789063 263.94918419976 260.496742884296 288.040898016546 13 2 5 784 1.33529740151175 -0.419037396378156 0.713796704217392 +M90.066T225 90.0658618767728 90.0657350863441 90.0660167658915 225.102003519978 219.807608522163 244.078257231701 8 2 5 1305 1.65480014855315 -2.03044777619156 0.177484368836338 +M90.506T73 90.5059593158241 90.5054030944615 90.5088398918439 72.7150261789856 72.4263617178231 74.5009789091169 16 0 16 [M+2H-H20]2+ 197.007 68 5.21968668055936 7.10273405119784 1.21104238193226e-07 +M90.51T1381 90.5099224080132 90.5079925436746 90.5102055379108 1380.93650568367 1378.2417160714 1402.01451962073 33 3 27 [2][M+2]2+ 62 1.16579166565756 -1.13910864703389 0.350338864652049 +M91.021T155 91.0208488582538 91.0199241271128 91.0211508007865 154.509141308303 154.100677910498 156.888058615744 6 2 4 1198 1.33337099143523 -0.583700767779377 0.60375486812608 +M91.021T59 91.020940088482 91.0198445513729 91.0211270131444 59.0391257169578 35.1215560091358 76.2973036372585 64 3 27 [3][M]2+ [M+2H-C6H8O6]2+ 356.059 423 1.06420051890134 0.145841590350331 0.896557407781887 +M91.508T1380 91.5076507549507 91.5057353555044 91.5078798015685 1379.6836171181 1378.57221628833 1393.44777792724 25 3 21 62 1.12467311796515 -0.463504810767536 0.686044652592483 +M91.522T59 91.521763813241 91.5206548045851 91.5222241570828 59.1497854116736 58.8141156604361 59.7913514678323 17 0 17 [3][M+1]2+ 423 2.10147651258685 6.05664121077164 1.74930476237734e-06 +M92.539T116 92.5389389584067 92.5379713648787 92.5391831248418 116.332880132685 116.233284013787 116.759618715098 3 3 0 667 51.69890723131 -2.73087203160829 0.11200077037443 +M95.088T155 95.0877922922744 95.0873740509403 95.0882105336086 154.952096563564 153.766601882803 156.137591244324 2 2 0 1199 43.9980722207205 -5.84046258056627 0.0280714351899265 +M96.511T54 96.5107993478574 96.5102736197289 96.5109468469406 53.6154038074979 52.9782883491245 54.3478048049763 27 0 26 18 273.523072364209 7.64564077602308 4.06523708029738e-08 +M97.039T75 97.0392028792285 97.0380002486733 97.0393366254446 75.3477153538007 75.3230243044018 75.4986201653264 3 3 0 1208 19.9203311463714 -9.49437541599424 0.0108430121708527 +M97.994T116 97.9937733167127 97.9932403894118 97.9943062440136 116.496451364443 116.233284013787 116.759618715098 2 2 0 668 4.2944525184038 -2.35521014357642 0.138888148661462 +M98.978T69 98.9783802896218 98.9762090464658 98.978612698557 69.2735658510705 56.8919802408281 101.23101808913 67 3 24 [M+H-H20]+ 115.983 12 1.97245638270068 -2.10805228236928 0.123223421293112 +M98.978T124 98.9783016635895 98.9751620231427 98.9786730118537 123.96847410112 107.86344566032 151.178114478367 24 2 7 15 1.13905613414625 -0.299023149077862 0.786735557656897 +M98.978T41 98.9784227014623 98.9773712543609 98.9830852587779 40.6657600259911 8.6425845315306 53.6637142283093 63 3 25 1 9.28067649870911 -2.82717915926371 0.104668217925717 +M99.511T73 99.510600469737 99.5098066014988 99.5107198913385 72.8103257789712 72.4263617178231 73.1696987337351 17 0 17 [M+2H]2+ 197.007 68 14.1808155768987 6.87945593174093 2.58696920329982e-07 +M99.511T48 99.5107726769701 99.5102456212951 99.5114099635311 48.0684224646803 46.188327747906 49.3303053880673 16 0 16 1158 9.33982459734911 5.98173442851858 2.48287958970472e-06 +M100.017T50 100.017311924544 100.016847024681 100.017640716516 50.2192852367568 49.6378757829671 50.6117752654732 25 0 25 55 4.11644690264354 7.72346688691185 2.67982858126459e-08 +M101.007T50 101.006608696199 101.005937277493 101.00699975221 50.3681563431489 49.786677029739 50.9435745131908 27 0 27 [M+H]+ 99.9981 [M+H]+ 99.9981 [2M+3H]3+ 149.994 [2M+3H]3+ 149.994 55 6.22794486739666 20.1482581711073 0 +M101.011T35 101.011168650862 101.010153942259 101.011454989842 35.1795592195174 34.1910829828605 42.6080015411653 30 0 24 258 6.90374160177583 13.2361705076409 1.45439216225896e-13 +M101.026T73 101.025890273965 101.025488903824 101.026115502573 72.7150261789856 72.4263617178231 73.0262929063024 14 0 14 [M+H+Na]2+ 178.048 68 6.3436465330138 7.4125408730868 5.66634603682559e-08 +M101.074T844 101.073735016884 101.073040739593 101.074125433285 843.633739163176 840.335773480217 844.765041888734 33 3 27 [M+3H-C3H2O3]3+ 386.185 13 3.10392939431485 -6.18755118341457 0.0240115768697877 +M102.037T48 102.037290897603 102.035870205567 102.038534514214 48.1769256772035 35.2115845315306 79.5565326554191 37 3 24 55 1.84217456474465 -2.28705950958111 0.0903275167240385 +M104.11T1019 104.110112357135 104.109691636541 104.110262801146 1018.62334104775 1003.22839379061 1023.99314317308 48 0 27 532 67.9736477379836 6.57154803000091 5.58969493802408e-07 +M104.11T1047 104.110106198421 104.109690901088 104.110459423886 1047.24868066079 1045.78821443403 1056.46448231379 34 0 22 560 38.4182295668069 5.74889358877717 4.51721707150909e-06 +M104.11T992 104.11005332713 104.10950002956 104.110190602274 992.457678449936 983.170961965166 993.067829239658 19 0 16 1013 75.6613659282013 7.31127552990271 8.82259456602696e-08 +M104.11T40 104.109808686245 104.109412830137 104.110036698981 39.5411512406175 38.7250619796878 40.0823954682854 14 0 14 259 Inf 6.40363758026013 8.7633814827015e-07 +M104.996T1033 104.995618479413 104.994529194896 104.995885160098 1033.18917421074 1015.84389738151 1050.50530824263 137 3 25 561 1.48471991839757 2.65145803075704 0.0225559101268777 +M104.996T1066 104.995599270188 104.994616659558 104.995857388047 1066.22011414492 1051.50063092705 1097.31034320025 89 3 24 451 3.71857744145035 -0.969795079625881 0.433508126152693 +M104.996T980 104.995553927563 104.994432272223 104.995881811681 979.79031767289 942.175423320993 1008.31357014622 156 3 25 810 1.31768307493369 -0.483746410198521 0.675512253524198 +M104.995T834 104.995440509504 104.994570111934 104.995632248512 834.189056606389 818.002022661451 857.128617794614 94 3 20 [M+2Na]2+ 164.011 [M+2Na+K]3+ 230.043 25 1.17342938008369 -1.58771927949954 0.143375066324314 +M104.995T532 104.995292440775 104.9944893496 104.995482498146 531.833617973395 497.295074362248 597.759358874248 118 3 19 [M+2Na+K]3+ 230.043 1088 1.27995733702711 -1.80393795192549 0.13239033377237 +M104.995T793 104.995412884063 104.994545472963 104.995540225867 793.275991038436 766.994287756084 805.42122267114 70 2 21 34 1.31879624894801 -0.728565244363696 0.538044962202138 +M104.995T871 104.995444677098 104.994748081455 104.995602256475 871.433322760554 859.144513342267 904.095122803737 52 3 17 [M+2Na]2+ 164.011 [M+2Na+K]3+ 230.043 9 1.08762272319289 -0.930196035374462 0.360584447063106 +M104.995T1374 104.995131232937 104.993068537514 104.995368445313 1374.46065868469 1371.77865088984 1401.33451962073 33 3 27 [4][M]+ 32 1.03755615582883 -0.452072572719937 0.687802400512858 +M104.995T927 104.995496645908 104.994734016144 104.995648669715 927.270476479377 908.810543024272 933.448467377591 31 3 17 [M+2Na+K]3+ 230.043 20 1.25233810032659 1.75664205579906 0.161795966749296 +M104.995T52 104.995460532909 104.992872678256 104.996399142174 52.3312428613316 25.1265414877752 53.6119675785896 29 3 25 [M+3Na-H]2+ 142.023 827 2.210182904483 3.59750166227588 0.00299432048359605 +M104.995T722 104.9954355319 104.994969548113 104.99554689618 722.026766515219 695.191942060866 729.858678240383 30 0 17 1078 1.17558812744563 2.01226190312571 0.0547781921759818 +M104.995T749 104.995428828542 104.994582738223 104.995508300183 749.027875132838 736.68175928509 757.466406361748 26 1 18 883 1.24615247582302 0.859774518629803 0.473984337992857 +M104.995T477 104.995271278726 104.993300650217 104.995398200619 476.783169081996 465.717462178866 493.940850063595 33 0 18 86 1.05390423525201 -1.08675602841818 0.286675265454397 +M104.995T448 104.995274680864 104.992899183104 104.995387658689 448.48584022874 400.708992875803 451.275154804851 28 0 20 89 1.18315008897835 -3.73882096308891 0.00105700248592355 +M104.995T660 104.995318968205 104.995041704129 104.995510212198 660.261343118318 637.679640747534 685.198209632014 25 0 14 40 1.19795170675798 1.94629285431345 0.0620363470849243 +M105.018T59 105.018326882946 105.017494704556 105.018609292962 59.0522457580864 58.7345887739542 59.7913514678323 19 0 19 [M+Na]+ 82.0337 423 6.46699390252497 10.2945580336488 1.02048147709866e-10 +M105.037T166 105.036768504396 105.034496512921 105.03716556836 165.684088905364 153.329974979411 181.390400146264 45 3 23 512 1.93973659645866 -1.12168186766852 0.369228305068352 +M105.036T259 105.036009985098 105.030659807144 105.036785883271 258.696263130378 234.529850950754 285.493120960681 69 3 19 786 2.13021306137469 -1.15857136150943 0.358951337354825 +M105.074T843 105.074243420872 105.07229555541 105.074700825878 843.430416204278 843.014303886067 843.875692444549 30 3 27 13 6.45157871893253 -19.3629660707024 0.00235988199197124 +M105.088T1026 105.088339410217 105.087456486816 105.088644406889 1026.41220243024 985.277023227927 1085.01146254063 131 1 27 562 3.87555224400541 -1.021617111669 0.414175282500822 +M105.088T870 105.088069420435 105.086606388835 105.08841184835 869.853931299369 835.674888080936 912.252978334902 84 3 25 767 1.33927129947759 1.34988112886441 0.243776722646132 +M105.088T1374 105.088115597457 105.086628625447 105.088308540863 1374.31854445868 1371.77865088984 1375.16394797962 31 3 27 [M+Na]+ 82.0941 32 1.05702017036932 -0.805047704847635 0.485785948058736 +M105.12T1374 105.119888434973 105.119239368995 105.120126799706 1374.31854445868 1373.09972776789 1375.46463035319 29 3 26 [M+H]+ 104.108 32 1.0808225178699 0.588876608438113 0.560668819593201 +M105.538T157 105.538077979527 105.536801802434 105.538347849618 156.581166411304 154.748713350602 157.654515690361 12 2 10 24 1.21988324893764 -0.523741257026093 0.629453760518779 +M105.999T1375 105.998567842676 105.997144271107 105.998923964097 1374.51567985233 1371.77865088984 1375.51217191625 31 3 27 [4][M+1]+ 32 1.07271078960075 -0.842343965655329 0.474561942064633 +M106.045T75 106.044576832009 106.043384618307 106.04475071031 75.3477153538007 75.3230243044018 75.4986201653264 3 3 0 1209 15.3239011912052 -12.7579117043432 0.00515262697637553 +M106.076T844 106.075836438669 106.075453325931 106.076409575875 843.713528289696 843.327373818339 844.065634599876 3 3 0 13 3.3115047022915 -11.3470421735077 0.00692540933578067 +M107.034T43 107.034013363212 107.03349201152 107.034248908876 43.0942642945468 42.7434518154201 43.4956728362821 17 0 17 1 3.42997970458543 6.25496705484573 9.34017763132289e-07 +M107.508T47 107.508259429951 107.50756829636 107.508888801847 47.0431266611974 46.330784094952 48.0834360740171 17 0 17 [M+2Na]2+ 169.044 55 53.6362694913927 6.63340034661001 4.89943312143026e-07 +M107.526T77 107.526214663115 107.525795177065 107.526435222552 76.9613128345005 76.6562029542442 77.2703819332109 15 0 15 1205 22.6402252660975 5.59808995965138 6.96488947693474e-06 +M108.036T166 108.036493708008 108.035229371129 108.036764589454 165.942168269517 157.548223016091 192.143449696517 20 2 11 4 1.62568823165787 -1.20981737155528 0.322860465637379 +M108.534T46 108.533788790071 108.533311466385 108.533984493589 45.5553660031175 45.1454199284951 46.188327747906 23 0 23 1148 5.06140669784721 7.05387728037781 1.41631143257825e-07 +M109.104T336 109.103980889097 109.102996490647 109.104133354849 335.916786827317 319.985490605384 355.590345834481 7 3 0 1349 72.2114335611921 -5.92214210690982 0.0273477239901601 +M109.104T386 109.103821818563 109.102896263969 109.103973342463 385.804214709107 385.312272902498 386.077759468333 3 3 0 144 163.614990071231 -16.2464409842791 0.00375745186536625 +M109.104T584 109.104064489252 109.103254612133 109.104127788753 584.47086633238 583.846523593389 584.510688929278 3 3 0 175 41.8024423160526 -13.2577873094947 0.00562625391519256 +M109.104T732 109.104045805071 109.103153799017 109.10414758611 732.250811780615 732.154239940345 733.168248990189 3 3 0 [M+2H-CH2]2+ 230.197 114 41.4667427433166 -43.4319459754956 0.000526740405078385 +M110.016T41 110.01573070211 110.014595629052 110.016115152275 41.446462979279 40.5581237525204 48.3248083453773 31 2 27 247 3.38032793720735 8.822407565434 1.46750434026899e-09 +M111.019T73 111.018976782648 111.018365849728 111.01930702112 72.7896941303457 72.346668230406 73.1696987337351 25 0 25 68 13.7469035196155 7.15180301797004 1.35272691714761e-07 +M111.024T42 111.02373605631 111.023033286821 111.024693443631 41.7837440863734 40.7876342565016 43.0846928013522 19 0 19 260 6.14121866866912 7.01254793737377 1.55055035255813e-07 +M111.023T1381 111.023352155478 111.022851939316 111.023636146601 1381.41645370667 1378.81491331829 1387.35591551301 16 1 14 [M+H]+ 110.019 62 1.08174978702162 -0.579054090426133 0.615981764025722 +M111.12T428 111.119605108389 111.118709003082 111.119624602654 428.092736425512 427.302281405576 428.823017605949 3 3 0 212 17.1757194289995 -31.025600328839 0.000939357132083263 +M111.12T324 111.119732060996 111.118487695972 111.119758625723 323.699976010596 323.387388877762 323.937227402751 3 3 0 1298 27.9995610329497 -12.1821283677895 0.00664327103329798 +M111.12T248 111.11973579328 111.118784904994 111.119847577801 248.068189279061 242.31903033251 253.175432016399 6 3 0 788 45.6877585194809 -23.8946196289503 0.00174525298188399 +M111.119T277 111.11918134958 111.1185302489 111.11983245026 277.000748917719 276.892052857345 277.109444978093 2 2 0 1369 29.8020909461224 -10.6732181223564 0.00865623154144579 +M111.534T59 111.534475524272 111.531707976155 111.534609847335 59.0696540818238 58.7345887739542 72.6857089964627 28 0 27 423 7.41061375934924 10.6056849506663 5.72248914920692e-11 +M112.032T43 112.031719245432 112.031331171978 112.037516067123 42.8269916579143 42.3063783075228 59.7913514678323 30 0 23 246 16.2130133610928 5.52698026997062 8.35789757047678e-06 +M112.053T51 112.053407530889 112.052925956259 112.053617377452 51.4535155994735 49.786677029739 52.0867723522242 26 0 26 [M+H-C5H8O4]+ 243.091 55 851.842027706223 5.79402060740795 4.19342877600037e-06 +M112.115T33 112.114914587838 112.114404705356 112.115419003382 33.4425749211554 32.8290829828605 34.0630087524172 14 0 14 261 Inf 14.8500314695383 3.26405569239796e-14 +M113.038T66 113.037699605099 113.035070425996 113.037909744962 65.8492612980691 52.9782883491245 95.1358947346671 37 0 27 [5][M]+ [M+H-C5H8O4]+ 244.073 2 278.739806425551 7.98402341494957 1.83606072567954e-08 +M113.052T116 113.052435311933 113.05115739457 113.052601523045 116.332880132685 116.233284013787 116.759618715098 3 3 0 669 70.2871305045109 -3.04879636629512 0.0928402621059925 +M113.062T155 113.061629337257 113.061009721636 113.062248952878 154.952432146199 154.446906256864 155.457958035533 2 2 0 1200 12.6931318171101 -1.26209582808213 0.334156966071642 +M113.099T160 113.099024457756 113.097908230916 113.09911851726 159.879299790824 153.766601882803 164.65328700014 5 3 0 886 26.6724409032252 -3.2627653026604 0.0824773728158976 +M114.041T66 114.040657673458 114.040359470806 114.041179957768 65.9129819186146 65.1415815636438 66.4440964296942 22 0 22 [5][M+1]+ 2 66.629056411044 7.25079680453731 1.04074115103714e-07 +M114.094T162 114.094351056438 114.091681242123 114.096735807721 161.790082737099 154.446906256864 181.254026230771 51 3 27 4 1.33640384904805 -1.02691611094691 0.410930790450094 +M114.516T44 114.516202280165 114.515914184884 114.516973469574 44.2441130853628 43.4559846009013 44.8159623887041 22 0 22 55 59.2275943522795 8.59874079846679 4.06812228348485e-09 +M114.534T166 114.534377665607 114.533030809654 114.53450502459 165.840606173429 154.423523324949 167.08449391403 9 2 5 4 1.23371632323355 0.401918765449982 0.712034927597372 +M115.042T148 115.04177617559 115.040976692427 115.041823019176 147.990823278689 146.921499497724 148.32216904651 3 3 0 989 7.60970010956022 -4.78104896567194 0.0404371227538425 +M115.079T154 115.078531525716 115.077014101811 115.080728200501 154.423523324949 150.026794191342 161.503972356402 9 3 3 66 4.62597942164467 -3.28864487095604 0.0812079659262084 +M115.524T43 115.523740719231 115.523157884321 115.523961187448 43.2629180555523 42.7725151468327 43.4956728362821 19 0 19 240 44.055490550452 3.74977434757855 0.000894200938118761 +M116.074T43 116.073750364336 116.073177732411 116.073933826183 42.7313172318287 42.1827981533419 58.7487512469252 27 0 26 [6][M]+ 262 389.372988485678 7.85020164585941 2.51422118680011e-08 +M116.989T68 116.989106837983 116.983201028915 116.989760136454 67.96052159026 35.1215560091358 107.338898292716 52 3 24 [M+H]+ 115.983 12 1.43507122762953 -1.72855355766033 0.125417190958174 +M117.024T54 117.024089915726 117.023469183972 117.024273124902 53.6429707358796 53.2418550288453 54.3478048049763 26 0 26 18 2.32348767612395 4.27874779664208 0.000224946492167533 +M117.077T43 117.076715863408 117.076271395573 117.076900936643 42.6509046789827 42.1827981533419 42.9207740786431 18 0 18 [6][M+1]+ 263 25.2796136129925 7.44486808811025 6.59189587359776e-08 +M118.089T41 118.089407161437 118.086796975084 118.089696789946 40.72807937662 4.07805094882922 50.026130633933 69 3 27 [6][M+2]+ 264 3.72420493687941 4.34390306372129 0.000199795627890742 +M119.053T990 119.052584689682 119.051695036223 119.052757875567 990.337554659251 990.260410337264 990.675719174889 3 3 0 1033 16.8324108928995 -5.12058269339862 0.0360524568021272 +M119.092T49 119.092418806347 119.0918853423 119.092689481992 49.12412331405 40.2520533676341 49.6270350688321 22 0 16 1150 55.9022557122894 4.83415142957308 5.19876079425607e-05 +M120.024T48 120.024121161939 120.023558133379 120.024374519107 48.1967290231544 47.3196529125076 49.00392787789 14 0 14 1156 16.2117211455325 6.77403331347006 3.32139121317354e-07 +M120.068T40 120.06819671763 120.065006159025 120.068656784636 40.2163090519619 39.8851541760216 45.9677352932831 28 0 27 265 364.057073377163 7.73001845013604 3.33938858787519e-08 +M120.084T132 120.084022008874 120.083515139213 120.084401779639 131.866565964154 128.928715358348 136.127283958032 29 0 27 [7][M]+ [M+H-HCOOH]+ 165.082 7 437.327060676069 6.08202406149914 1.99238849019068e-06 +M120.969T1376 120.969442020725 120.969093896987 120.969761521424 1375.77190701185 1374.61621609248 1377.32299073603 30 3 27 [M+2K]2+ 164.011 32 1.2877312356961 -1.56461229934825 0.252820518720957 +M121.068T843 121.067842535992 121.067048711585 121.068264179853 843.360044021312 843.038688530069 843.920398878908 14 3 11 [M+3H-COCH2]3+ 402.18 [M+2H-C6H10O5]2+ 402.18 13 6.73106390603545 -32.1594094955738 0.000805144535083624 +M121.087T132 121.087128203946 121.086528673041 121.087657990192 131.506697123515 128.928715358348 135.453360448474 20 0 18 [7][M+1]+ 7 16.4343476400163 5.84647959304383 3.6374569154507e-06 +M121.524T41 121.523834593596 121.522538966402 121.52399533778 41.407586304854 40.6759216414035 44.5155086535309 29 2 27 248 3.2019313225641 8.62491170101963 5.2997854993464e-09 +M122.54T40 122.539628963498 122.539175784295 122.540495002622 40.3602321158923 39.8811816804973 43.1404645759514 23 0 23 266 5.23882924246939 9.06254721683892 1.08195918890885e-09 +M123.058T63 123.058441634814 123.055925403192 123.058680688422 63.1558506364217 45.2040560256689 71.1473751019771 38 0 27 437 986.245465886308 6.3165487817955 1.09357711464142e-06 +M123.056T1375 123.056004961772 123.055121299958 123.056286540525 1375.20623146522 1374.05958333333 1376.53236266692 12 2 10 32 1.14125871998116 0.687404773382705 0.558774388794636 +M124.028T35 124.027689619636 124.026378574778 124.029367745619 35.2642642727961 34.1910829828605 51.205459254073 37 3 27 [M+H]+ 123.017 234 15.6675896196415 13.1042377747161 4.34985381048136e-13 +M124.042T55 124.042444785682 124.040209408742 124.042716285712 55.3966372696182 54.624679868 71.6628080872123 27 0 26 [8][M]+ [M+H]+ 123.033 424 41.1617118147261 10.7083868277076 4.9616533104313e-11 +M124.068T116 124.067953652049 124.066452240928 124.068058510927 116.332880132685 115.551605198096 116.759618715098 3 3 0 670 35.4813729890155 -3.54140672775453 0.0712998993337675 +M124.128T35 124.128340535282 124.127763194015 124.128535438047 34.7718628783326 34.1910829828605 35.30440691879 17 0 17 267 25.0925570660867 12.5533978219353 1.40287781391635e-12 +M125.029T35 125.029065293437 125.028573144815 125.029259850554 35.0171718709395 34.1910829828605 35.4160509488292 26 0 26 268 17.6886226541399 15.4892623194313 8.65973959207622e-15 +M125.045T55 125.045417604574 125.044850519781 125.045713368431 55.2850198265088 54.7611172844813 55.7082674299202 20 0 20 [8][M+1]+ 425 18.6161835942145 10.6043346670634 5.90740789618849e-11 +M125.532T59 125.532143857428 125.531314706604 125.532370399391 59.0522457580864 58.7345887739542 59.7913514678323 27 0 27 423 99.1304289154193 12.0261273906742 3.86046750122659e-12 +M126.026T35 126.025656114217 126.025135525681 126.029136538105 35.2115845315306 34.1910829828605 43.454833668118 31 0 26 269 17.7384777630686 15.3691281504718 1.11022302462516e-14 +M126.034T59 126.033619004716 126.033007235374 126.03401572045 59.10101558488 58.8792205974702 59.7913514678323 14 0 14 [8][M+2]+ 423 8.48899925289848 11.6627405424921 3.05666603139798e-12 +M127.042T42 127.041878532899 127.041091415778 127.042858061314 42.0083329413487 40.8502777707722 42.7620141893032 19 0 19 270 7.54336139126465 10.3911580474476 4.17283985143513e-11 +M127.042T843 127.041722309821 127.041190003464 127.042254616177 843.183031174204 843.038688530069 843.327373818339 2 2 0 13 5.02372638124028 -11.0672536074244 0.00753498829746047 +M127.053T144 127.053126425748 127.049823004344 127.053691968252 143.953049959361 118.498300126531 151.045361867926 55 0 27 987 12.1619416842753 5.47162141124399 9.71013082118333e-06 +M127.076T116 127.075998989118 127.074804815283 127.07628807332 116.332880132685 116.233284013787 116.759618715098 3 3 0 671 9.24885913061594 -12.4382181782657 0.00463328632801874 +M127.115T732 127.114880776746 127.113875886113 127.114923308752 732.250811780615 732.154239940345 733.168248990189 3 3 0 114 19.8043228352967 -23.8816490124891 0.00173543370919971 +M127.114T329 127.114249138882 127.113626365231 127.114859911605 329.106949059666 321.663563281674 336.595153747223 4 3 0 1343 14.3175073237557 -4.75097678873372 0.0415451810883447 +M128.55T169 128.550149484211 128.547257060775 128.550589856867 168.757164192424 157.312628808163 211.40260317578 51 3 19 4 1.49241265084246 1.06914944565944 0.310079986176583 +M129.056T59 129.055541236835 129.054101871926 129.059568416746 59.0506184092792 40.5656037034849 59.4984069401054 18 3 13 [M+H+HCOOH]+ 82.0337 423 2.95706802794399 -17.6623114878465 0.00047847927489908 +M129.094T140 129.09389341905 129.092835421805 129.09414478435 139.998852108566 137.374266128666 143.511840572511 4 3 0 129 2.73491645033193 -2.21009566423149 0.157366479821504 +M129.142T34 129.141740778405 129.141368395302 129.141968175385 33.9012642727961 32.8290829828605 43.6749981877759 27 0 26 271 13.5745846038366 13.421636244822 1.94955163124177e-13 +M130.053T59 130.053252491801 130.050654686247 130.053506066932 59.0511326223163 58.5471014486421 71.1473751019771 28 0 27 [9][M]+ [M+H]+ 129.045 423 177.948217827161 9.09428119533054 1.4701786454907e-09 +M130.054T40 130.05351008115 130.053001132637 130.053748025269 40.0504124443927 39.4164209930302 40.4097947234725 25 0 25 272 540.983288518202 12.258217254548 2.60702570642479e-12 +M130.162T293 130.162243591766 130.160645356443 130.162698479003 292.745947825875 289.472117597348 294.23986712903 22 2 20 137 1.03062129829904 -0.671821817898153 0.515631722119785 +M130.162T162 130.162255371076 130.161686547526 130.162516957585 161.540526649166 160.650096597436 163.332480761031 20 0 20 4 1.07738600085278 1.43046280014941 0.190615967156202 +M130.529T41 130.529340139102 130.528006348974 130.529532772662 41.3849161397737 40.564161796899 49.0040290753259 31 3 27 [10][M]+ 249 4.54797280288389 8.71460643124524 2.88757159516706e-07 +M130.529T70 130.529115492094 130.527676387035 130.529587791596 69.8880897276625 60.8437292758343 109.236989609091 40 1 18 794 1.8772664133591 4.15366469339331 0.00145283865642032 +M130.606T33 130.605554961818 130.605109281217 130.605834802545 33.323842991635 32.4231271613396 33.9081174598231 15 0 15 273 Inf 11.0012136635993 2.80389045315133e-11 +M131.03T44 131.030325806814 131.028381506261 131.031921534849 43.5584513273772 40.050746071274 50.9211666991102 22 2 18 55 3.06604693692783 4.78970607744171 0.00955446707729113 +M131.056T59 131.056003743822 131.055463702906 131.056411479368 59.0522457580864 58.7345887739542 59.4918075867663 17 0 17 [9][M+1]+ 423 87.1793919372165 9.0330545187856 1.67775526804803e-09 +M131.536T41 131.536269656798 131.535041900475 131.5367860874 41.3745298143723 40.6657600259911 44.5155086535309 26 0 26 [10][M+1]+ 274 15.9450396908301 7.67785661059894 3.19252233538236e-08 +M132.105T81 132.105298076518 132.102566367424 132.105737046683 80.983782655646 73.4028824699218 84.3381483640636 55 0 27 [11][M]+ [M+K+HCOOH]+ 47.1363 [M+Na+HCOOH]+ 63.1102 [M+H+HCOOH]+ 85.0921 26 455.694759799433 5.34288973942545 1.36240252501807e-05 +M132.208T81 132.208427723334 132.207269211458 132.208927881962 81.4950570476308 73.4028824699218 82.6374975082264 22 0 15 26 Inf 4.2974321793357 0.000214488410862579 +M133.054T66 133.053537245818 133.052860718724 133.056261849284 65.9129831144726 64.8677206665789 66.5286710092332 27 0 27 2 662.312524522332 8.0308507488619 1.64446425365838e-08 +M133.064T40 133.06416849847 133.061344117961 133.064402293185 39.704075377328 39.346320188596 61.2072053119825 28 0 27 275 133.190029909805 13.2896647342326 4.15223411209809e-13 +M133.084T160 133.084171465366 133.080440907819 133.086876536232 160.246035290802 155.370638590042 163.438872821464 32 0 25 [M+H-C6H10O5]+ 294.135 4 1.3773237140737 5.13093379197534 2.57929994122996e-05 +M133.108T82 133.108358886256 133.107081804732 133.108797530809 81.5601761367211 73.4028824699218 82.7389313200768 41 0 27 [11][M+1]+ 26 257.121172971855 5.30442245966343 1.50693634435317e-05 +M134.12T47 134.120247236579 134.119611871389 134.120882601769 47.1113806767088 46.8427082171145 47.3800531363031 2 2 0 1159 3.31807815842753 -5.89125429737885 0.0143747235794238 +M135.03T44 135.02969951613 135.028872154979 135.031080308427 44.4100277998007 43.4559846009013 59.1497854116736 24 0 21 [M+2H-COCH2]2+ 310.058 [M+H-C6H8O6]+ 310.058 55 4.41015455286605 6.7163174413205 2.92322278827584e-07 +M135.105T161 135.104816415772 135.101709218369 135.105122971828 160.822664748444 155.127210634535 174.866131459245 34 3 27 4 1.15989415660121 -0.937938685707732 0.43569941232512 +M136.065T116 136.0652694781 136.060264640319 136.065552162733 115.807426539912 115.163936668452 126.49095282814 34 0 27 [12][M]+ [M+H-C5H8O4]+ 267.103 6 147.058542181731 7.37814980969342 7.78150865965443e-08 +M136.065T54 136.065035313046 136.064453453491 136.068959736971 53.6674428040441 52.9782883491245 93.7807465465872 40 0 27 [13][M]+ 18 1180.0555422145 9.38307356880171 7.84810438858585e-10 +M136.17T54 136.170032987586 136.169041555242 136.170318532372 53.5933578780353 52.9782883491245 53.8884387502639 27 0 27 18 Inf 7.8525739017718 2.50261602552371e-08 +M136.511T55 136.511444696474 136.510493033871 136.512766887656 54.7611172844813 54.1444343927159 55.3118820695764 15 0 15 [M+K]+ 97.5441 18 120.290138265155 7.60629280290116 4.43458039178779e-08 +M136.606T33 136.60559947939 136.60516867636 136.60587773784 33.2184765753602 32.1480829828605 33.5507877327433 17 0 17 276 Inf 8.39429491003428 7.09271930077193e-09 +M136.944T38 136.943638851145 136.942918946627 136.943844901909 37.5686437246944 36.6810619796878 38.1103999509889 20 0 20 277 33.5000253715316 8.06517480068056 9.98779259298033e-09 +M137.049T100 137.049302271166 137.048791407342 137.049559095919 100.48367532841 99.8757765453145 101.000095991846 27 0 27 [14][M]+ [M+H-C5H8O4]+ 268.088 90 1454.6750915376 10.7235332464464 4.85422813056857e-11 +M137.054T61 137.05354610672 137.049822753073 137.059804325343 60.9971706326069 57.7024433040269 72.715930713388 19 0 17 423 646.445357831684 3.90568469068747 0.000597575932288041 +M137.063T161 137.062948656467 137.060152549384 137.063500762859 161.003995405821 150.026794191342 178.520005651894 30 1 25 [M+H-CO]+ 164.044 4 3.21973208613483 7.45247240341381 4.07259865831122e-08 +M137.067T54 137.067351881569 137.066797191392 137.067554145844 53.6102853996658 52.9782883491245 54.1460412200039 26 0 26 [13][M+1]+ 18 806.704815208249 9.06565853139506 1.56868962264411e-09 +M137.067T116 137.066702865928 137.066052883624 137.067282355696 115.598434586172 114.815069093763 120.183294236838 20 0 19 [12][M+1]+ 6 28.4887441730365 6.93690019847939 2.2305923552679e-07 +M138.052T101 138.051646443526 138.050808509166 138.051983558891 100.51630641453 99.8021583009755 101.000095991846 19 0 19 [14][M+1]+ 90 43.3514898992793 10.1119119529456 1.59392499199384e-10 +M138.058T42 138.058108795971 138.051967544579 138.058597011139 42.1061738910509 41.4914842269954 58.4299560544208 26 0 24 278 548.990708086675 4.52761553405408 0.000116959710554809 +M140.005T70 140.00532933888 140.002713278886 140.005914481568 69.6604383125414 52.0144589048282 105.117486671479 102 3 25 [15][M]+ 12 2.80984893690949 -8.87892078384313 9.28263433848109e-05 +M140.005T36 140.005286314188 140.002339681823 140.005901784583 35.946560092378 5.14655600913581 50.706320945932 67 3 26 1 12.9523564059514 -2.46450118582187 0.132521779339641 +M140.005T125 140.005493255394 140.000914808752 140.005927834029 124.597673324448 107.48492669186 150.590912145084 55 3 16 15 1.29329249022399 -0.865981909130503 0.438415365643142 +M140.005T1393 140.005290535389 140.002465292217 140.005666069142 1393.20094880761 1378.87934062052 1402.69784209408 29 1 14 [M+Na]+ 117.016 19 1.52000446664027 1.90020377078145 0.0720772250895085 +M140.066T168 140.066468357648 140.063850810878 140.066823516081 167.867285268047 166.313205723799 180.152986836048 4 2 2 515 1.27556518248812 -0.82286865496382 0.487432656834418 +M140.071T1382 140.070875065368 140.068003222458 140.071454138627 1381.93586272697 1376.51793223478 1403.17891319534 43 2 21 [M+K]+ 101.103 [M+Na]+ 117.077 62 1.07361932537899 -0.376569880012919 0.73809093566333 +M140.071T1489 140.070513250135 140.067408254167 140.070940879481 1488.64159379983 1469.93216411208 1501.23779365747 34 2 17 1064 1.65245346751063 -0.552514278817014 0.634053002709032 +M140.071T1423 140.070523366363 140.069786695007 140.070936863112 1422.61544451312 1409.01425448353 1435.03079210715 23 2 13 1185 1.30983277077717 -0.887017919762439 0.463415002326607 +M140.112T121 140.111805326016 140.107169008377 140.11210495438 121.425850442079 104.640122651206 146.649056319275 10 2 4 873 1.23609403611438 -0.505788728476094 0.653537691239225 +M140.112T48 140.111704864281 140.110590927234 140.112108558961 47.6455927419985 35.2624765753602 85.9036876477223 47 3 20 55 1.35869624916083 -2.00337030779074 0.0610512876356588 +M140.149T47 140.148904223691 140.145518758363 140.15021827405 46.6436938232755 35.946560092378 67.3319634653734 19 3 11 55 1.30915965695415 -0.489850669361295 0.664881940967114 +M140.225T47 140.225245296987 140.224993687805 140.225508147398 47.410218195093 36.7078101321514 78.8698290187222 9 2 4 55 1.75488370279017 -1.30001838413071 0.29293299775469 +M140.256T47 140.255508408587 140.255336844005 140.255836838615 47.2366314845981 36.7078101321514 67.1882537394299 10 2 5 55 2.68730804368644 -1.73001059576966 0.221604961717904 +M141.009T69 141.008556390609 141.005530315481 141.008869004706 69.2735658510705 61.1513955242618 109.340866127065 47 3 18 [15][M+1]+ 12 1.97054229750748 -5.7597492289712 0.000233716946327123 +M141.009T47 141.008713243435 141.007039189368 141.011789121578 46.9379960482641 35.2624765753602 56.3201172791093 40 3 25 [2M+2Na+K]3+ 169.044 55 1.3345919026037 -1.18037224824293 0.248025667487303 +M141.094T156 141.094125398791 141.092781607762 141.094238165582 156.137591244324 153.766601882803 161.243732564651 5 3 0 885 8.48951552209811 -4.41803073050091 0.0474681617472554 +M142.007T49 142.006549386915 142.005138590416 142.010323530973 48.8990958986486 36.0265414877752 59.1101852697055 10 3 6 1160 6.59825196193138 -1.98604179890954 0.185145728549352 +M142.018T66 142.017608036416 142.015391666499 142.018843864937 65.9610769987015 64.987651753089 66.5928669678509 24 0 24 [M+H+K]2+ 244.073 2 1.66302382175097 2.74415558918963 0.0107945149764959 +M142.038T35 142.038074697431 142.03517228338 142.03852972349 34.8382869639781 34.1910829828605 41.4124592809721 21 0 20 279 1.81487201235585 6.20663547201063 2.14210766409373e-05 +M143.023T35 143.022543725447 143.019275643625 143.0235146637 35.2869200423165 34.1910829828605 85.9036876477223 44 3 27 [2M+Na+2K]3+ 164.079 234 16.4682813549569 15.4673043062585 4.88498130835069e-15 +M143.07T56 143.070401287884 143.065048540126 143.071154470731 55.6113470959205 39.9832682948467 55.7627792901585 4 3 1 438 17.1273421732918 -14.2053768572709 0.00140672195066971 +M143.13T35 143.129925343435 143.129328956273 143.13012138127 34.8050749211554 34.1910829828605 35.30440691879 18 0 18 280 36.8303427225599 12.4738229819767 1.59916524467008e-12 +M143.146T545 143.146182580742 143.145302900736 143.146377400677 545.067982060649 545.023712547981 545.698539255185 3 3 0 84 22.9824269507776 -12.9545740028657 0.00586781016306714 +M143.999T69 143.998946854748 143.994998843757 144.003019106671 68.7481820346628 36.7078101321514 144.877595631275 86 3 21 12 1.72721823386266 -2.64573118921898 0.0189672999094292 +M144.024T35 144.024473516667 144.023611849344 144.024921387239 34.8050749211554 34.1910829828605 35.4160509488292 20 0 20 281 3.55069424982962 9.64731960615977 1.6856598117343e-07 +M145.011T1403 145.011157753374 145.005221511243 145.011680286938 1403.18534358965 1382.58000541528 1428.5028871293 47 3 24 1082 1.7119469097635 -2.22531292918724 0.131536901801951 +M145.012T1476 145.011853240892 145.010870102462 145.012377938918 1475.797898353 1438.38867148255 1500.03084116324 99 3 23 139 1.06883583257836 -0.231530959369578 0.834387276037833 +M145.021T35 145.020585077625 145.019278945926 145.021068292398 35.0171718709395 34.1910829828605 35.4160509488292 26 0 26 282 4.15856034570703 13.4466247342137 2.68896016564213e-13 +M145.052T42 145.052103723747 145.049879302218 145.052742604805 41.7377303063018 40.7251247517259 45.9636240414541 30 0 26 283 40.4872316194189 14.2239436320727 8.83737527601625e-14 +M145.611T33 145.611155456949 145.610584570537 145.611477059655 33.2193704240782 31.9120619796878 33.5507877327433 24 0 24 284 1299.00704836994 8.09191377610308 1.42681204629014e-08 +M146.169T34 146.168524184319 146.167769281655 146.168996728951 33.9769867701741 32.5930619796878 51.2691084080676 37 0 27 [16][M]+ 285 587.288626529094 15.944847015489 6.21724893790088e-15 +M146.169T1375 146.168602534367 146.167883390443 146.168949212896 1375.16339140677 1374.41109559433 1375.6950238704 29 2 27 32 2.33956190264461 2.65959009063154 0.101487930518689 +M146.277T34 146.277262163404 146.276432350285 146.277433306245 33.9081174598231 33.1041271613396 43.1404645759514 27 0 26 286 Inf 12.4768355447356 1.75859327100625e-12 +M146.316T34 146.316277655593 146.315808324514 146.316793821953 33.9012642727961 33.1041271613396 34.2317877327433 25 0 25 287 Inf 10.0330370863107 1.97926119938074e-10 +M146.393T34 146.39289229736 146.39253104313 146.393457121441 33.77204495832 33.1041271613396 34.2317877327433 16 0 16 288 Inf 11.9400149685499 4.68358685168369e-12 +M146.424T34 146.424280011679 146.423614969169 146.424798476611 33.7585560091358 33.1041271613396 34.2317877327433 15 0 15 289 Inf 11.4869299246332 1.09707798401359e-11 +M147.035T43 147.034996708996 147.033662467974 147.035964123967 42.7672646680679 42.1827981533419 43.2085122699879 22 0 22 290 19.8113379532666 7.79076790102884 2.60296533216575e-08 +M147.069T843 147.068552315724 147.067807274764 147.068753663343 843.327373818339 843.038688530069 843.364397316131 3 3 0 13 4.88837429724242 -8.85676831380535 0.0120791802819777 +M147.08T40 147.080167399235 147.077952505407 147.080521741697 40.0416791866796 39.4164209930302 68.2668922236463 29 0 26 253 607.557582002153 13.2521882231529 4.49862369578113e-13 +M147.116T37 147.116282087286 147.110886191415 147.116664286142 36.6031333405462 35.5690669896195 65.5473559794433 19 0 14 291 386.639116583473 12.7022122815277 1.17150733558447e-12 +M147.171T34 147.171445835999 147.170174087307 147.171787181839 33.9351187583311 33.1041271613396 44.1173263505341 32 0 27 [16][M+1]+ 292 880.436228035928 14.9950833695693 2.57571741713036e-14 +M148.066T41 148.065658892514 148.064583585318 148.068249496277 40.6759216414035 40.0823954682854 43.9688787320939 27 0 26 254 246.552838176173 7.87152001744255 2.39145179214972e-08 +M149.027T1062 149.027249964317 149.026458072017 149.027711114919 1061.96198334866 1061.39302125937 1062.49070808426 26 1 25 [M+K]+ 110.068 449 3.31791217159872 5.36576115514733 4.69280908466096e-05 +M149.027T59 149.027317973224 149.023465799885 149.027556082949 59.0047209040918 49.0950102042959 59.7913514678323 20 0 19 [2M+H+K]2+ 129.045 423 183.97864841936 9.62102887818472 4.67363925338304e-10 +M149.027T812 149.026642187745 149.026389780229 149.026958494254 811.968541355387 811.180263606249 813.079623749391 17 0 17 [M+H-C2H4]+ 176.051 60 9.34686437648477 28.1975900527105 0 +M149.064T132 149.063640258305 149.062924608293 149.064142108072 131.518542456727 128.928715358348 132.208810300739 16 0 16 [M+H-NH3]+ 165.082 7 48.3214484947304 6.15009721857151 1.66558270464634e-06 +M149.121T302 149.120726124746 149.119257360954 149.120908595592 302.473449570512 299.352592653609 306.862284369109 31 3 27 [M+H]+ 148.114 158 1.01699540340505 -0.413004982439114 0.709055455248773 +M150.058T413 150.058483166526 150.057835864514 150.058800648338 413.039339903472 412.551943221982 413.414710303145 15 0 15 [M+H-COCH2]+ 191.063 123 19.4513483218938 8.12474687492833 1.24195422834816e-08 +M150.062T56 150.061970879083 150.06168461895 150.062262434296 56.3883795297934 55.7212284048131 57.1107450112036 27 0 27 424 861.173753375414 5.55385799183508 7.8407930512725e-06 +M151.021T76 151.020958351441 151.019116850319 151.021033720433 76.0262486203418 76.0054540769532 76.1799240390991 3 3 0 1210 17.8763431982836 -15.7259251336196 0.00381223869798908 +M151.043T41 151.043389423031 151.041386483529 151.044684120558 41.4716760861144 40.6657600259911 44.5155086535309 29 2 27 255 5.69947035231037 9.77021311392152 1.7119372586194e-10 +M151.056T155 151.056149383022 151.05465230182 151.056549746106 154.779319082304 152.377341514307 160.561016334375 5 3 0 1201 6.79596560328842 -4.94021209413683 0.0385235999976761 +M151.1T114 151.100331888017 151.098523759114 151.100630384117 113.646787162195 112.823914773109 114.499487310189 30 3 27 [17][M]+ [M+H]+ 150.093 69 5.29546342024186 12.0165786203027 1.52122758834139e-12 +M152.036T59 152.036064112867 152.035707374182 152.036504343187 59.159210999135 58.8792205974702 59.7465228250373 19 0 19 439 237.771798733766 7.51393298295965 5.59169477387655e-08 +M152.063T172 152.063467173352 152.059874651662 152.063878296293 171.567508681926 159.211034941373 191.461549067562 40 3 19 4 1.03990469104709 0.0913669784589318 0.931549732323438 +M152.061T54 152.060545273655 152.060160128484 152.060977269102 53.6136856930438 52.5739943704919 53.9890111104295 16 0 16 18 81.187775998996 7.86183494719926 2.38624093817918e-08 +M152.06T104 152.060441532372 152.05988645182 152.061182202217 104.295535457159 103.812768742101 118.160554266417 33 0 27 1269 57.0856436045247 10.6146592869564 6.02899952184544e-11 +M152.104T114 152.103556468534 152.102460348276 152.103986118609 113.692263844407 113.254240125699 114.499487310189 24 0 24 [17][M+1]+ 69 5.05870146563047 13.7965574014323 5.83977310952832e-14 +M152.589T41 152.588866947096 152.588408788596 152.590036302743 41.4156895595263 41.0766651833473 42.0287371994674 14 0 14 293 Inf 10.3588096040101 1.01241459660173e-10 +M153.092T157 153.091632716837 153.089980668985 153.092069282646 156.644505676696 153.766601882803 165.336019133097 4 3 0 887 4.46228484345346 -3.69479507820767 0.0649084319222786 +M153.982T1397 153.982444038418 153.979294277622 153.982773981572 1396.7298361643 1381.962684383 1430.24790145144 88 3 27 19 1.13109556424971 -0.33124399609072 0.768258822775338 +M153.982T1493 153.982402749263 153.98161242859 153.982811975402 1493.05779365747 1485.1315835705 1499.35084116324 31 2 23 42 1.14526570911426 -1.60849664051282 0.121754330730145 +M154.089T161 154.089001705203 154.086122786418 154.089572852354 161.098622014648 159.966114410025 162.650859713444 23 0 23 513 3.24824630650814 8.53938059136438 2.09301722202682e-05 +M154.09T60 154.089723334146 154.086538142974 154.090208268436 60.4268663447565 58.9569162184907 82.4814414952336 39 0 22 [M+H-C6H10O5]+ 315.139 423 100.306449862864 6.24371094828306 1.31611660969533e-06 +M155.075T161 155.074670090238 155.074086878855 155.075339264712 160.815626344807 157.548223016091 162.650859713444 16 0 16 4 2.75891513863446 8.9642119903979 1.85752879744427e-09 +M155.978T1397 155.978109166182 155.974967361446 155.978417882223 1396.86167906302 1382.86523691057 1409.75876513929 70 3 26 [18][M]+ [M+K]+ 117.016 19 1.12566442849891 -0.319237788272194 0.777952190664569 +M155.978T1428 155.978056544263 155.977858230632 155.978267485029 1428.04523635761 1416.22819087521 1438.61581906948 35 1 23 37 1.38928335568404 2.82825281100867 0.0136513312369546 +M155.978T125 155.97797155813 155.973129770643 155.978153659443 124.710301132154 95.8844246085183 171.101577049671 49 3 11 809 1.14120403964096 -0.421445078388323 0.711841214003117 +M155.978T9 155.977939319568 155.974555130713 155.978169416049 8.89788725145868 4.07805094882922 17.5512642727961 12 2 10 1094 1.36399452225164 0.623983692986942 0.588645188599558 +M155.978T1473 155.977998571927 155.977146855823 155.978218572016 1473.07857291533 1439.68934703211 1494.43445683454 139 3 25 53 1.17966073479175 2.21493865514093 0.0438546453836788 +M155.978T30 155.97794883693 155.97648570942 155.978156032082 29.7165702703332 26.2915339075042 33.9414059112125 10 3 7 235 1.45445365295809 1.65323811742677 0.238249176955591 +M155.978T71 155.977958815231 155.974921626387 155.978073352442 71.3795953355281 61.5196907730598 86.972979433833 14 2 8 793 1.11491070865325 0.545780337869309 0.594440779770907 +M156.043T43 156.043124910012 156.040614475656 156.047606147571 42.7579834811264 41.9275482623398 69.4375086574197 32 1 25 [19][M]+ 251 1.96757831396175 2.04668988051167 0.14722716678785 +M156.079T38 156.079462387052 156.075681419199 156.0800980374 38.2645063308009 37.5885053502779 42.6938078168002 28 0 25 294 33.9867612142751 11.389406058647 1.30500055206539e-11 +M156.09T1398 156.089557540383 156.086528535517 156.089964168606 1398.15597449672 1382.92601471419 1429.71675601045 48 1 21 19 1.04707821462277 -0.190961899496772 0.861588724713714 +M156.141T89 156.14148224471 156.140333871152 156.14172248786 88.9586727935842 86.2086862737403 89.7910143811507 3 3 0 1137 1.58377803330967 -3.67695456265559 0.0369076182835939 +M156.98T1398 156.98015051602 156.976861367046 156.980543681676 1398.08599784308 1382.04150885864 1422.60727831526 94 3 26 [18][M+1]+ 846 1.29725884872628 -1.28422491428609 0.293458766178973 +M156.98T1490 156.980140784666 156.977093256351 156.980441539097 1489.80866188284 1463.23087358302 1501.19817798872 49 3 23 [M+K]+ 118.018 42 1.25519964569433 0.78256818075588 0.486142653006784 +M156.983T73 156.983446782081 156.977796369842 156.984682838872 72.715930713388 72.2098100465726 85.6967997691126 21 0 21 68 1.59556251539249 4.2761124031538 0.00800697352927204 +M157.048T42 157.047694233256 157.045914795504 157.048927448357 42.1503619280519 41.7267569487873 42.7733268527857 17 0 17 [19][M+1]+ 295 2.0526637473135 4.12273134457556 0.000616381875465866 +M157.051T77 157.050817660794 157.049960672633 157.051090191299 76.9963834328747 76.5124468295203 77.5383875722392 23 0 23 1205 11.0134264192743 8.20646097456261 1.08954958388807e-08 +M157.088T159 157.087657061856 157.087475695034 157.087824392024 159.464931205904 154.446906256864 160.561016334375 4 2 2 888 1.74955044781271 -8.77813485946727 0.00261773815386324 +M157.173T1491 157.173449378121 157.170462294648 157.174075657274 1491.40129059479 1470.7654455632 1501.87817798872 38 3 23 1062 1.08780933225229 -0.168801745576872 0.87944708920719 +M157.173T1383 157.17349634634 157.170111561255 157.173828881291 1383.15835880859 1374.68018629644 1404.19789950095 30 3 20 62 1.04428847259286 0.128035909555679 0.908501021322865 +M157.174T1440 157.173549185673 157.170131197092 157.173833648297 1440.37292019481 1415.21838815557 1467.592893422 49 3 15 136 1.49203838516714 -0.848884615088395 0.482436774443793 +M157.979T1426 157.978989446945 157.975626522074 157.979795932142 1425.92997225914 1390.86301423404 1471.93893444887 170 3 27 994 1.45656697033156 3.50372237192938 0.00172787969864396 +M157.978T1379 157.978494053658 157.977614391252 157.978748841816 1379.17905496658 1377.66847444747 1380.69243526641 27 3 24 62 1.12929462506573 -2.16368323447843 0.134354543598111 +M157.979T1489 157.979144798902 157.976292289219 157.980086593174 1488.54535581052 1475.41581990532 1502.55817798872 42 3 25 1062 1.09264170218226 -0.214303636576511 0.848373113953608 +M158.016T47 158.015943536399 158.014980022779 158.021242105647 46.9158676718048 35.2115845315306 70.0703358324443 19 2 13 1161 7.0907748172067 -2.12526116775952 0.166402358675014 +M158.047T54 158.047110454956 158.04650207963 158.047490786472 53.6026627283125 52.7686702795441 53.7772355600577 16 0 16 828 2.96934078304696 5.64712367144337 5.08319837089211e-06 +M158.1T280 158.099506503993 158.097760619799 158.100151190583 280.453036062487 276.892052857345 281.767555417362 28 3 25 221 1.01119903371234 0.209753840864583 0.844009761188983 +M158.159T733 158.158853151298 158.156917976101 158.159415288419 733.352219043839 732.837725806246 734.33480086409 30 3 27 114 1.10743885244001 -3.6063304065529 0.0143110514314311 +M158.158T60 158.15794292337 158.156342146609 158.158039448455 60.3282024835877 59.7367074286937 61.2072193424028 3 3 0 440 10.6191817113278 -15.3899077153679 0.00395786687670796 +M159T62 159.000202499962 158.996765058887 159.00202650156 62.3978799163952 20.4280509488292 109.000121961481 208 3 26 [20][M]+ [M+H]+ 157.993 424 2.04930457711475 -3.86711664812104 0.0160300086562768 +M159T127 159.000418834168 158.995176631907 159.000977365834 126.761645166274 110.273953481419 149.910022351881 61 2 23 [21][M]+ [M+K]+ 120.034 [M+H]+ 157.993 11 1.15418052036985 0.394555707885727 0.714204459662718 +M159T1484 159.00014305454 158.996586534169 159.000378947046 1483.90838260959 1449.14856953866 1501.19817798872 78 1 21 1065 1.39783414585771 1.72055176227838 0.0963737104049411 +M159T1422 159.000149667835 158.999554924471 159.00050099546 1422.01717176263 1396.65481067265 1447.51658355313 62 1 21 59 1.55366956283823 2.04966194235288 0.0610574428164097 +M159T5 159.000131020607 158.996680941774 159.000341490111 5.4778628783326 3.78355600913581 17.1600829828605 23 2 16 48 1.24765224421773 -0.327795765059161 0.772231062729954 +M158.998T1381 158.99794561542 158.996152624437 159.000302543208 1380.75642789349 1379.48032099546 1394.13697718963 20 1 19 [M+H]+ 157.993 62 1.39015261079019 1.57698543668698 0.137831687410354 +M159.113T60 159.113234584843 159.110205721533 159.113570115647 59.7911586823196 35.2624765753602 96.3121690612701 102 3 27 424 1.17121511185422 -0.65504268761697 0.52363135941461 +M159.154T58 159.154244029511 159.15058945771 159.15528765638 58.4299560544208 35.2115845315306 74.7470781344477 27 3 14 424 1.7767399780487 -2.07651669888395 0.11283219382912 +M159.234T46 159.233901512723 159.23291919678 159.234185908197 46.2361331161914 36.7078101321514 47.1946424096735 7 3 4 55 2.10081210234528 -0.971599837510988 0.430998330745764 +M159.267T44 159.266676734764 159.26486192131 159.266851473077 43.7413086560619 35.946560092378 46.8693522295873 8 3 4 55 3.77846220987446 -1.3718859271328 0.302733255909907 +M159.975T1379 159.974583257118 159.973377236267 159.976856520509 1378.57221628833 1377.63928783817 1392.82411722302 23 2 19 1264 1.04234869424 0.312231429812738 0.781777541835782 +M159.978T1400 159.977783405038 159.975236416595 159.979475309294 1400.04592693218 1394.30902673162 1405.46421769434 17 1 14 847 1.14314441058366 -1.65730447267277 0.16323414047873 +M160.001T126 160.001254093466 159.994866093746 160.004118511428 126.236848428357 103.276870379071 152.400169315842 23 2 13 [21][M+1]+ 789 1.49512405404376 -1.77223536633223 0.127571227204808 +M160.004T56 160.003911567003 160.000098822928 160.005118750039 55.6753171496705 35.3399867701741 91.240578014814 48 3 19 [20][M+1]+ 424 1.14511270787049 0.548017696810828 0.588323126243345 +M161.005T48 161.004510084582 161.001088340019 161.009516124541 47.6455927419985 41.407586304854 85.0174438792623 31 3 19 [2M+3H]3+ 239.998 55 5.5613445906499 -2.93356919475757 0.0952714116552948 +M161.033T35 161.033244830667 161.032331151939 161.033667663197 34.8917767747421 34.1910829828605 35.4160509488292 25 0 25 296 5.14351910411642 11.3593846545932 2.08122408196232e-11 +M161.543T143 161.543408990418 161.542281296194 161.543888078196 143.001016215379 140.536479378063 151.018007033943 29 0 17 987 418.157843328499 2.64520558067029 0.0136658540406818 +M162.035T35 162.034996678594 162.033939086546 162.035332979809 34.9022822537427 34.1910829828605 35.4160509488292 24 0 24 297 4.39040858264383 13.0897127786484 2.02282635086704e-13 +M162.08T43 162.080277731644 162.079292847514 162.081177538437 42.7020192661859 42.0229504541062 43.4909701195722 20 0 20 298 28.0842080714846 7.09123788109464 1.56421240848914e-07 +M162.533T66 162.533118701558 162.532193331033 162.533384000087 65.8897292021711 64.987651753089 67.1164581178714 27 0 27 [22][M]+ 2 303.4671338392 7.15614794541423 1.33795056145303e-07 +M162.647T66 162.647169211862 162.646132237907 162.647516309515 65.8704201094927 64.987651753089 66.5286710092332 21 0 21 2 32.1900434028179 5.64039321383081 6.1464178484627e-06 +M163.005T58 163.005253834706 163.000153134151 163.009802346359 58.4961695733843 42.151943917121 95.7762491047613 21 3 9 441 1.41077651054126 -3.26144800208515 0.0111113068559423 +M163.022T30 163.02202857872 163.014933302239 163.022905048899 29.7144193407863 19.698842991635 62.4814153584101 30 3 20 [M+Na+NH3]+ 123.017 234 1.62114391110013 4.54180586136783 0.0103287454899743 +M163.02T143 163.020490263119 163.014935019006 163.024806053498 143.238175021044 125.975949651644 155.457511636475 15 3 11 [2M+2Na+K]3+ 202.053 36 1.07909284384606 -0.416163642309181 0.70868219041009 +M163.019T92 163.018713175978 163.014839606 163.020779071638 91.7262341267385 76.0373016640443 113.364236913332 10 2 4 1138 1.90732956998684 2.07722294339612 0.159139460184362 +M163.022T7 163.021958909047 163.020547616919 163.022270764506 6.96077677474211 3.38691595530922 15.0148628783326 21 2 17 1095 1.57898615828711 1.05419207053796 0.38585092902007 +M163.022T1415 163.022014525732 163.021163460463 163.022355653767 1414.61395758317 1405.00435102894 1442.36859697618 15 2 12 [M+H-CH3]+ 177.038 45 1.5518509780811 1.66547038583589 0.187058968849168 +M163.022T1494 163.022037578307 163.021293327993 163.022215126985 1493.86882696822 1467.12817798872 1500.03084116324 15 2 8 1062 2.09199660436529 -3.0164011262797 0.0666035324091871 +M163.03T66 163.029840215998 163.028563370031 163.03308215116 65.8461991466642 64.987651753089 66.435581733737 18 0 18 2 1.63943947026526 2.86221221315704 0.0197280732692349 +M163.063T41 163.06295268986 163.059438162467 163.064545948745 41.3849161397737 40.6759216414035 46.9332714321641 25 0 23 299 10.0821697682275 11.423910869497 1.08564268685996e-11 +M163.135T392 163.134894940514 163.130017188386 163.136544084429 391.890246999774 382.540148827426 400.860989272949 38 1 21 172 1.17399800620073 0.992541780252782 0.378991723687886 +M163.137T427 163.136583744713 163.134944267561 163.136955179857 426.581252075155 426.107791157127 430.94825733259 31 3 27 [M+H]+ 162.13 170 1.00481382433696 -0.205008907775804 0.839182733547093 +M163.534T66 163.53444398819 163.53384003141 163.534869808334 65.9246088747653 65.1415815636438 66.670651898035 20 0 20 [22][M+1]+ 2 19.7011380316765 6.66075584750112 4.5276023707963e-07 +M164.53T66 164.529569485402 164.528950513863 164.529823048178 65.878060054866 65.1902185081793 66.5286710092332 14 0 14 [22][M+2]+ 2 34.6185646087517 7.46376667741207 6.050438461358e-08 +M165.005T36 165.005076909252 165.004632929212 165.005456277352 35.5759220857651 34.4671271613396 36.0949271360119 23 0 23 300 7.5710904985317 9.05219350357996 1.01996988632891e-09 +M165.035T120 165.03529860921 165.033577831265 165.035311089944 120.418702336806 119.642714891331 120.832707321472 3 3 0 874 14.3930423911295 -11.5907840111388 0.0073353576247901 +M165.055T35 165.054711955815 165.052658014793 165.057402218646 35.1475339075042 34.1910829828605 44.9486857687795 29 2 27 234 18.0920582994278 14.192270480429 8.10462807976364e-14 +M165.058T69 165.058435078734 165.057759065702 165.058825133232 68.5415282544301 67.2058522484625 69.1585693667778 26 0 26 795 40.0193939495454 5.62009148112377 6.55552884865074e-06 +M165.078T364 165.078242477163 165.076521197051 165.078343571886 364.035744267149 363.048378552426 364.217373106833 3 3 0 194 1.95009888640103 -4.93565824053963 0.0259397791738722 +M165.116T160 165.116172049754 165.1152117413 165.117063368504 159.887278366962 152.779587605346 161.969158913666 31 0 27 [M+H]+ 164.108 24 2.51050122985427 8.12292948474246 1.16990714893461e-08 +M166.057T35 166.056504829512 166.055676868576 166.05777445684 35.4160509488292 34.1910829828605 41.3472468421681 51 0 27 301 17.3196117498131 16.2887180931664 3.5527136788005e-15 +M166.076T61 166.076212929976 166.075508426488 166.076424279611 60.9884867608886 59.6440062032208 61.2780056617437 27 0 27 430 47.8981742686446 7.02504869064994 1.84780584833177e-07 +M166.09T132 166.090259419965 166.089197094426 166.093229024156 131.892148220921 128.928715358348 160.786146200495 34 1 27 [23][M]+ [M+H]+ 165.082 7 598.379062817621 6.04813337490211 2.1744699556514e-06 +M166.206T132 166.205744543777 166.204292809984 166.206219727498 131.698901923609 128.928715358348 136.127283958032 27 0 26 [24][M]+ 7 Inf 5.33372931666799 1.39580304741038e-05 +M166.248T131 166.24848299862 166.247359582834 166.248965554341 131.220610010781 128.928715358348 134.994265251954 19 0 17 7 Inf 5.94473047077523 2.83942128076475e-06 +M166.277T131 166.277114554507 166.276498113828 166.27738973148 131.218019981378 128.928715358348 132.126655352537 15 0 14 696 Inf 5.27246643569839 1.63955089185208e-05 +M166.329T132 166.329027520015 166.328240813009 166.329427018491 131.506697123515 128.928715358348 132.126655352537 16 0 16 7 Inf 5.22257729872394 1.86940608033481e-05 +M166.363T131 166.362577537296 166.361568918173 166.362893484704 131.35294839729 128.928715358348 132.126655352537 16 0 16 7 Inf 5.04600373246229 2.97648851024235e-05 +M167.053T35 167.052838669778 167.052127815091 167.053069767966 34.9127877327433 34.1910829828605 35.4160509488292 25 0 25 302 42.654934202009 17.9335560520946 0 +M167.075T237 167.074844478915 167.073238280303 167.076901795043 236.78618605426 227.159126735888 261.189852364243 25 0 17 54 9.51776695248002 7.31100027573666 9.14831401743754e-08 +M167.094T132 167.093686050496 167.09304917431 167.094143785485 131.807758724083 128.928715358348 136.127283958032 29 0 27 [23][M+1]+ 7 168.479137541911 6.02896211379669 2.28453470096923e-06 +M167.108T336 167.108073014431 167.106457076758 167.108124781551 335.634761761696 335.491129717313 336.595153747223 3 3 0 1350 6.87142161765128 -3.76661724047615 0.0636208049610407 +M167.209T131 167.209258622846 167.208420124364 167.209612672979 131.046645278038 128.928715358348 132.126655352537 14 0 14 [24][M+1]+ 7 Inf 5.17451886063802 2.121457953419e-05 +M168.096T132 168.095836426862 168.094730622352 168.096375542586 131.528107463232 128.928715358348 134.994265251954 17 0 16 [23][M+2]+ 7 22.7608293773288 5.95247141383463 2.76958406852934e-06 +M168.127T114 168.127053053523 168.125299275507 168.127442278713 113.685618070444 112.823914773109 114.499487310189 32 3 27 [M+H+NH3]+ 150.093 69 5.81606897366491 12.2580464894234 1.0502709812954e-12 +M169.062T39 169.062489010545 169.061682759548 169.062806638622 39.3950787707056 38.7250619796878 39.9832682948467 22 0 22 303 65.8116273342157 16.9209440419308 8.88178419700125e-16 +M169.087T138 169.087323335025 169.085814672082 169.087479627726 138.485462829796 136.691537216031 138.793912412493 3 3 0 1323 6.191249578711 -17.8902877542543 0.00198594858141932 +M169.124T243 169.123550047192 169.122060980322 169.123986307441 243.006822607863 240.963200492525 264.750583913189 4 3 0 1142 13.0128708438217 -4.46115447592053 0.0467288742581633 +M169.541T59 169.540881441654 169.540065095412 169.541150237843 59.048991060472 58.7345887739542 59.7913514678323 17 0 17 423 704.557917345313 10.1822745152435 1.45184309019442e-10 +M171.103T303 171.103360038706 171.101500865211 171.103681217218 302.772255604727 301.981532850744 305.496485107588 30 3 27 [M+Na]+ 148.114 158 1.02983271714336 -0.829305532069793 0.466650534587701 +M171.153T633 171.15295816912 171.151494887514 171.153345341253 632.915683912893 631.668901220721 636.107053850145 29 3 26 1304 1.43035326309862 -3.08607139426074 0.079348129622534 +M171.152T472 171.152399258679 171.150310453609 171.153031633561 472.191788050575 453.87878631122 472.864930865082 24 2 21 226 1.02773597622943 -0.391785968389556 0.713424300254585 +M172.031T66 172.030905933587 172.030227709835 172.031365860725 65.8298089035448 64.987651753089 66.7326657157924 21 0 21 [M+H+Na]2+ 320.064 2 3.17864900573566 5.19393427974748 1.8752825781565e-05 +M172.981T1397 172.981306270705 172.977705785245 172.981627109245 1397.46980984625 1390.86301423404 1408.2667010959 53 3 27 [M+H-COCH2]+ 213.985 [M+H-COCH2]+ 213.985 19 1.05401189610021 -0.526494400242945 0.63372383391582 +M172.981T1495 172.980852410185 172.976840493765 172.981111385742 1494.57312187894 1460.75670918332 1501.19817798872 10 2 6 1066 2.38000568438257 -1.05378941313508 0.394797201838998 +M172.981T47 172.980843844151 172.980317863566 172.982769374539 46.9167626129348 28.6040509488292 47.5351938447634 20 2 18 [3M+2Na]2+ 99.9981 [3M+2Na]2+ 99.9981 [M+Na]+ 149.994 [M+Na]+ 149.994 55 2.40626678844577 2.59881696831475 0.0457327189636527 +M172.981T5 172.980563694555 172.980305744858 172.980687400489 5.37054148777518 4.1782869639781 9.52805094882922 5 2 3 1096 1.16564581894455 -0.27090692739329 0.807905766405447 +M173.041T154 173.040904571724 173.040833948884 173.040975194565 153.593487711356 153.086297512213 154.100677910498 2 2 0 104 1.04138601985812 -0.224411283214745 0.84180435185917 +M173.083T114 173.082750065618 173.08065353515 173.083143696707 113.799249232092 112.823914773109 114.728400594901 30 3 27 [25][M]+ [M+Na]+ 150.093 69 4.71043011086282 30.6953889242542 0 +M173.965T1478 173.96540326156 173.96196868177 173.965696119277 1478.05280934153 1445.9720782296 1501.19817798872 137 3 25 98 1.02243423358876 -0.470049957177494 0.641965654587234 +M173.965T1435 173.965427380293 173.964397446771 173.965652088044 1434.75396299786 1423.42079825321 1442.1229552366 33 3 24 77 1.20697906666581 1.12562525850657 0.348680034514841 +M173.966T1406 173.965843905587 173.965097225673 173.967357512002 1405.89153794835 1387.93592150064 1411.1417880954 54 3 27 [M+H-NH3]+ 189.985 [M+H-NH3]+ 189.985 45 2.01666164901441 2.56604481633869 0.0479229711294966 +M173.965T27 173.96536610238 173.96519001135 173.967612145026 26.7529529126308 26.0567877327433 44.359316463976 6 2 4 [26][M]+ 70 1.21294347435525 0.73701147557885 0.534093798306594 +M174.086T114 174.085876489065 174.084985956539 174.086365426844 113.819793456486 113.164042328534 114.728400594901 27 0 27 [25][M+1]+ 1226 3.52425787190646 26.1919178819813 0 +M174.97T28 174.970409610251 174.970087924826 174.970780697639 27.9310087524172 25.76740691879 30.598842991635 17 0 17 [26][M+1]+ 1230 1.04922365854769 -0.465899428924049 0.680835935621507 +M174.97T6 174.970429513841 174.970037609946 174.970732987005 5.55256937750824 3.98106197968781 12.2530509488292 22 0 22 1097 Inf 11.8848712213462 5.18851628328321e-12 +M175.006T58 175.006354163843 175.005473432046 175.007258612967 58.1883919282148 57.5816607878911 58.5505328327919 20 0 20 426 6.49463184069809 7.65948504896765 3.14946875246136e-08 +M175.031T54 175.031457166044 175.030224965632 175.031947462771 53.6291285574054 53.5127765839472 53.7208642532648 3 3 0 830 1.18834551025889 1.51228625172345 0.146897013898989 +M175.123T39 175.123444627891 175.122714700109 175.123776770407 39.028487470891 38.6559483823174 39.5674531380512 27 0 27 304 185.148848693198 15.2181120375772 1.82076576038526e-14 +M176.016T42 176.015979980982 176.015492390449 176.017204689436 42.4197207397561 42.0843657206402 43.0846928013522 14 0 14 305 22.5822338631905 6.79039168058326 3.29031644819011e-07 +M176.995T50 176.995075440378 176.994154820055 176.995758341409 50.2236250539517 49.6378757829671 50.7127069957341 26 0 26 [27][M]+ 55 3.64388153876738 6.33354558973266 9.23260428553618e-07 +M177.011T56 177.011026806056 177.006600699902 177.014603644141 55.9969195122741 35.2115845315306 95.1284648480793 66 3 24 [M+H-COCH2]+ 218.013 424 1.01982256962298 0.0561902731997844 0.955589436571477 +M177.059T812 177.058945767079 177.057149002754 177.05921209853 811.829558428928 811.428278648823 813.862499148264 30 3 27 [28][M]+ [M+H]+ 176.051 60 13.3941602339001 43.190370318685 0 +M177.962T45 177.962421677139 177.961090308716 177.964749111456 44.9486857687795 39.3592676260209 46.9663802267589 15 0 14 1157 1.94631239552029 5.41291601803894 9.88567795401352e-06 +M177.997T50 177.996929101637 177.995739909691 177.997461334497 50.2279250671333 49.6270350688321 50.7127069957341 15 0 15 [27][M+1]+ 55 3.6307419143786 6.91208480231164 2.18935676699061e-07 +M178.043T161 178.043390067854 178.042094426026 178.048195486089 160.697831164142 129.399438113933 179.20094354877 33 0 20 [M+Na+K]2+ 294.135 4 38.9389332973637 5.37855883405647 1.22575294603244e-05 +M178.062T812 178.062213963145 178.061513768313 178.062574504181 811.762844430261 811.428278648823 812.802704519368 27 0 27 [28][M+1]+ 60 10.7087293543667 41.1735776703722 0 +M179.132T161 179.131809497975 179.13091180257 179.132166880801 161.334597931442 160.383907049415 162.650859713444 24 0 24 4 3.12187743937009 8.27503241538118 6.1105835946762e-09 +M180.091T41 180.090667241847 180.087007385104 180.091078970285 41.4570068152341 40.8502777707722 44.2475254951158 28 0 27 [M+H-H20]+ 197.096 1 14.9950256861403 14.455562003715 1.95399252334028e-14 +M180.103T161 180.103369397556 180.099913194393 180.104797611232 161.486087521354 153.827426854367 186.62747135049 38 0 27 [M+H-CH3]+ 194.121 4 6.10494849533363 8.18033399445839 1.09350770660654e-08 +M180.105T75 180.10533430077 180.103932976994 180.106420167634 75.1711943530071 72.0254380350815 75.5936569849458 25 0 25 [M+H-CO]+ 207.089 1206 14.2000774787214 6.54055232687583 5.76228703419446e-07 +M180.105T125 180.104933383796 180.10165980021 180.106106850246 125.089499101216 120.860364596627 125.998646815021 21 0 20 790 6.48221358618615 6.19330744168857 1.29126364223353e-06 +M180.106T718 180.106249094446 180.104728486502 180.106356428083 717.932001547539 717.823762681257 718.86722698695 4 3 0 133 43.8917581112599 -27.632711202975 0.00130240682523297 +M180.983T1417 180.982832276995 180.978908022199 180.983389930242 1416.58472377216 1391.1565707137 1435.34317254459 79 3 26 1186 1.29354596212417 0.843564385585975 0.438967128313371 +M180.983T1488 180.982759936096 180.978991968443 180.98309661879 1487.53984780507 1469.19639835796 1501.19817798872 54 3 25 1067 1.17766921762049 -0.30693335231099 0.782910689576591 +M180.983T1454 180.982836838311 180.982478058137 180.983233240481 1453.76135379494 1439.74605992809 1468.65966912708 50 2 21 73 1.13575346872262 -0.441549761908507 0.696502300717281 +M180.983T1375 180.982628639015 180.981854874021 180.983087875916 1374.75597392267 1373.70233333333 1384.93185252566 31 3 27 32 1.58131266059653 2.45418581410769 0.0208533349449258 +M180.983T53 180.983047024279 180.981181331382 180.983616262962 52.9389969873888 8.84705094882922 85.0826291375622 70 3 27 [29][M]+ [M+K]+ 142.023 827 1.76774167937059 -5.53153166691131 1.49793312864688e-05 +M180.983T110 180.983146559362 180.981113267395 180.983615678795 109.575899366027 91.1363974815411 145.967108458061 35 3 12 [M+2Na]2+ 315.987 69 3.80633405832632 -10.4628820563168 0.00150440431014176 +M181.029T1377 181.029156055801 181.027726311678 181.030217450192 1377.49522338541 1375.71415907301 1382.9629283161 29 3 26 1261 1.80366126666846 2.42690118010772 0.022415383803049 +M181.03T59 181.03046457577 181.025988103434 181.032295151515 59.1310702677327 37.3433460410693 99.7006688928185 50 3 19 424 2.30302701052181 -2.30175255218539 0.118100177191068 +M181.031T121 181.030840887687 181.025357524392 181.031915731327 121.162900533444 103.958494753282 127.156949671167 11 2 5 21 2.4055106181256 -1.07144193698738 0.392749479888281 +M181.03T542 181.029725555556 181.027244328827 181.030541096899 542.326404258946 517.819231631477 552.571017402723 6 3 1 141 1.0526720532938 0.672362756464414 0.531100533483688 +M181.032T154 181.031525397319 181.02941653122 181.032233336634 154.035468880147 151.695613208851 154.57832432515 4 2 2 1286 1.09809918470376 -0.28755907913178 0.787493899384908 +M181.085T158 181.084973635614 181.082673871779 181.086850664188 158.355455165806 154.446906256864 161.925446322351 4 3 0 889 3.21217789736261 -2.91942918962349 0.0960269340519813 +M181.102T54 181.102147461549 181.101396303286 181.107745861576 53.6119675785896 37.9829341908017 75.3000392514595 19 2 15 831 2.46154457442073 -4.76310723392506 0.0268815047010684 +M181.108T718 181.108226682324 181.106947461539 181.108526250736 717.932001547539 717.823762681257 718.86722698695 3 3 0 133 6.84855946370657 -19.6523724059955 0.00217008655550721 +M181.986T52 181.986408897156 181.984923969273 181.988923284019 52.3602534631227 37.9829341908017 55.6424993662173 9 3 6 [29][M+1]+ 832 1.12010885545818 -0.326757833443252 0.772233824200064 +M182.036T44 182.035772916215 182.032274316262 182.037692012294 44.3321757875021 40.7321127505234 68.0957604113796 12 2 7 [M+H-NH3]+ 198.05 55 3.83199825568614 -1.94974414815245 0.1889991416288 +M182.061T121 182.060981632959 182.055422081016 182.062243307921 120.625704829139 120.324407611617 140.843104230974 4 3 1 872 19.5475379940424 -11.8247666836264 0.00639610352074005 +M182.086T69 182.085602720152 182.081790557399 182.086026271439 68.5614454436165 67.2058522484625 89.2428004025967 32 0 27 [30][M]+ 796 730.985122874546 5.67769624390022 5.67580993737771e-06 +M182.206T68 182.206111877244 182.204785254943 182.206367972798 68.3846415811068 67.2058522484625 68.9509199973114 15 0 15 797 49.7616469663456 4.47384834029361 0.000134747672194679 +M183.047T66 183.046628941906 183.046281782169 183.047378527389 65.8148932661611 64.297124495371 66.5286710092332 23 0 23 2 8.74314150698845 5.79578073355887 4.03553411132407e-06 +M183.088T69 183.088316140311 183.087021111069 183.088960224241 68.5619744260153 67.2058522484625 69.395846964895 25 0 25 [30][M+1]+ 798 119.057876259628 5.45562448894624 1.01249116570834e-05 +M184.05T35 184.049557508063 184.045867000493 184.050483164348 35.2971187583311 3.2708305978722 63.3237429274591 68 3 27 [31][M]+ 234 16.2688039469155 16.8952712453598 1.11022302462516e-15 +M184.171T35 184.170697204895 184.169793898935 184.171185123002 35.0171718709395 34.1910829828605 35.4160509488292 26 0 26 306 52.813857711308 14.4941643075971 5.50670620214078e-14 +M184.216T35 184.216424288817 184.215546541975 184.216799031191 34.9022822537427 34.1910829828605 35.4160509488292 24 0 24 307 22.987847585592 8.42964255889739 6.33298791186121e-09 +M184.246T35 184.245562934737 184.244950199186 184.2460935372 34.7579358153749 34.1910829828605 35.30440691879 16 0 16 308 26.238726792822 7.41865476406552 6.95808730633019e-08 +M185.044T42 185.043838928169 185.037254365333 185.044638756542 42.3581957612792 38.829689950671 42.8227895527387 18 0 18 [31][M+1]+ 1 5.9132385388067 4.74485435356017 6.51678621923502e-05 +M185.052T35 185.051706614559 185.044968259744 185.052144610603 35.2869200423165 34.1910829828605 69.8221914940006 42 3 27 234 15.3896427033669 13.6341388597221 1.21458398893992e-13 +M185.119T427 185.119122462096 185.117623394247 185.119530824198 426.607690005735 426.107791157127 427.195111021275 30 3 27 [M+Na]+ 162.13 170 1.03516755794621 1.30689614469236 0.243749353736414 +M185.119T387 185.119252554055 185.117339344779 185.119580703435 386.513814328674 381.040021685622 396.86379517386 24 3 15 1339 1.30133819751303 1.96733511440707 0.0974262509125565 +M185.119T156 185.119148708254 185.117120089593 185.119191016678 156.137591244324 154.446906256864 161.243732564651 3 3 0 890 2.50571806985891 -2.80026478992772 0.0536099737343325 +M186.039T1458 186.038704882513 186.034641690725 186.038937561413 1458.02836788654 1434.25387551745 1477.67561663259 109 3 25 78 1.31864417101841 -1.21223784105787 0.319411839661265 +M186.039T1400 186.038680822658 186.034765708101 186.039153627795 1400.42657078845 1382.2213956852 1430.72935843594 122 3 27 19 1.78006423412734 -0.82897516321677 0.492038171469446 +M186.039T1491 186.038684115307 186.035001204037 186.03906291095 1490.78883544996 1478.47470175334 1501.87817798872 63 3 25 1063 2.57679316742011 4.21202072186664 0.000263237334980682 +M186.039T146 186.038943284198 186.034684515269 186.039603543609 145.73705320688 131.160494878866 165.684088905364 21 3 17 [M+H-NH3]+ 202.053 36 1.31732320127901 -1.03845945217147 0.389928378388159 +M186.039T68 186.038865660442 186.035120519476 186.039307552697 68.4890096969438 67.3319634653734 85.6967997691126 11 2 7 [32][M]+ 12 1.03029544717245 -0.161603644007764 0.883193196716531 +M186.039T117 186.03859305646 186.033243008336 186.039640049761 116.857331623108 95.2208262296652 124.092920019494 10 2 7 672 1.59910312656142 -1.24912104180416 0.319579667849117 +M186.039T29 186.038702040366 186.034826311056 186.044407047877 29.4230829828605 3.4972869639781 46.9002537937055 63 3 25 [33][M]+ 237 1.01741922210509 0.197492847866199 0.846430588918144 +M186.048T35 186.048116090093 186.046546951028 186.049337736712 35.1215560091358 34.1910829828605 42.0928662373932 27 0 26 309 4.08202185102292 14.2670956001328 8.03801469828613e-14 +M186.19T111 186.189865023615 186.187929719345 186.189964790908 110.777925490402 108.612542491178 112.249055732689 3 3 0 [34][M]+ 1225 57.9847899934798 -23.9631830991973 0.00172933585397983 +M186.226T491 186.225966991975 186.224218993857 186.226409197581 490.516895163147 479.679695565725 502.884883327285 47 3 25 108 1.01523164370421 -0.0522547829563627 0.962578287648826 +M187T1032 187.000421192687 186.998693256432 187.000710938319 1032.21584825844 946.377279282446 1097.59276547935 280 3 24 538 2.62554809900289 -0.855830727251822 0.482008290547885 +M187T1374 187.000028160483 186.99683259487 187.000348794845 1374.00672953239 1371.09160528789 1392.76118004726 33 3 27 [35][M]+ [M+Na]+ 164.011 32 1.05944299115203 -0.520570059291802 0.647290375417023 +M187T803 186.999957952751 186.999148649765 187.000135069991 803.425668163749 778.349892112369 818.002022661451 29 0 18 [M+Na+K]2+ 312.047 [M+2Na]2+ 328.021 61 1.0829446956107 -1.90317771725067 0.0673464668245771 +M187T832 187.000009175233 186.99843829602 187.000198981057 831.534511644451 819.707941174353 848.910775440887 26 3 14 [M+Na]+ 164.011 [2M+Na+2K]3+ 230.043 25 1.19323903672819 -2.57493951023456 0.0264420918307744 +M187T929 187.000085216073 186.998689113383 187.000151058671 928.599631114826 903.353359986759 942.105709794714 7 2 2 853 1.20044218887292 1.41914734028314 0.272349912370396 +M187T870 187.000000999807 186.998653132228 187.000185118112 869.926049922396 868.001942214643 876.775529412152 4 3 1 [M+Na]+ 164.011 [2M+Na+2K]3+ 230.043 9 1.06499923562243 -1.92138290569704 0.0817593138782788 +M187.018T274 187.018130617065 187.014286222374 187.019776398634 273.721928158613 265.905633335616 278.936207279981 12 2 9 178 1.04727151438115 0.201576327266706 0.854035604764024 +M187.019T120 187.018839665517 187.016952022687 187.018891768008 120.418702336806 119.642714891331 120.832707321472 3 3 0 875 7.36791282725341 -12.1410249942091 0.00652982429894955 +M187.027T265 187.026623315939 187.019829233038 187.029679564938 265.000642104109 249.100607200955 283.517226336653 56 3 26 785 1.21518666055764 -1.22747392149677 0.319124353828781 +M187.033T167 187.032590954228 187.028529860833 187.034523788361 166.969458610409 150.882087002007 201.056840194714 82 3 21 [M+Na]+ 164.044 4 1.13370681511451 0.253847972407392 0.810347517571894 +M187.032T238 187.03207480521 187.029840116987 187.032782826734 237.565942449588 204.329570403559 271.822907402787 57 3 20 1141 1.04477030563257 0.0903267735166742 0.935029900918482 +M187.035T69 187.035401589654 187.035306766186 187.035496413123 68.600321951685 68.5070713612941 68.6935725420759 2 2 0 [32][M+1]+ 793 2.12896533730322 -4.69115323050633 0.0379942449916937 +M187.051T35 187.051432835622 187.050567524067 187.05785653402 34.8790821523703 34.1910829828605 44.8068037758335 22 1 21 [33][M+1]+ 238 3.54206901278857 10.3308735351267 0.000181426028081244 +M187.096T158 187.096078488535 187.093299285167 187.097164925341 158.029978208908 153.766079307108 166.934249755383 17 0 15 [M+Na]+ 164.108 24 Inf 5.3542096673457 1.32273861725984e-05 +M187.122T1374 187.122232910295 187.120586341548 187.122455628402 1374.0103988474 1373.26566549905 1374.81898624605 30 3 27 [3M+Na+K]2+ 104.108 32 1.11494822584702 -0.96712593051484 0.421173153876129 +M187.129T633 187.129181809047 187.127787234025 187.129832579682 633.399303164522 631.625829065468 635.655683187025 30 3 27 110 1.04269576166479 -0.442969167991173 0.695707686594379 +M187.166T1374 187.165788544499 187.164453212798 187.166769422142 1373.66590160412 1372.77982607885 1374.80976106972 21 3 18 [2M+Na]+ 82.0941 32 1.09550906672921 -0.666971994797685 0.563781021277339 +M187.193T111 187.193200374554 187.190964557417 187.193256442119 110.777925490402 107.932880134555 112.249055732689 3 3 0 [34][M+1]+ 1225 104.131347757872 -26.1901284789419 0.0014411718595615 +M188.003T1374 188.003054676431 188.001851097916 188.003365879997 1374.0103988474 1372.45569592693 1375.56700314048 30 3 27 [35][M+1]+ 32 1.0650250480851 -0.602845100359869 0.598144947311911 +M188.073T132 188.072714691065 188.071851674956 188.073135196333 131.782733943882 129.399438113933 136.402278385935 22 0 20 [M+Na]+ 165.082 7 28.944753992359 5.42537428434525 1.09706084998606e-05 +M188.075T161 188.074799838244 188.070555259023 188.075538589432 161.064894460041 158.658808600014 179.20094354877 34 0 26 [36][M]+ [M+H]+ 187.066 4 127.519154882752 4.79186601965793 5.81793819653953e-05 +M189.048T75 189.04800096313 189.046244918757 189.048503265814 75.3230243044018 67.2024610866131 75.4986201653264 5 3 2 [37][M]+ 1211 46.8633550423191 -15.650041307809 0.00402523900945062 +M189.057T114 189.056952823598 189.054864894731 189.057398690909 113.954468755538 112.823914773109 114.728400594901 30 3 27 [M+K]+ 150.093 69 5.31332186813736 33.2372519233021 0 +M189.078T161 189.078029119343 189.075661462407 189.08012466426 160.859475687761 155.298151146249 162.229947013094 16 0 16 [36][M+1]+ 4 9.72279366484119 4.74443376832217 6.5236411237457e-05 +M189.139T40 189.139260154846 189.138642085127 189.139681369304 40.0086517944153 39.4164209930302 40.4097947234725 15 0 15 310 67.8917717406395 8.62057291216617 3.96231403243519e-09 +M190.051T75 190.051454248056 190.049280982953 190.051496961769 75.3477153538007 75.3230243044018 75.4986201653264 3 3 0 [37][M+1]+ 1212 36.8144700726211 -11.37877650692 0.00747083507741064 +M190.992T1409 190.992023114154 190.988367329506 190.99231360925 1408.73754563591 1394.13697718963 1431.11568940916 30 3 26 [M+H]+ 189.985 [M+H]+ 189.985 45 1.28383859901049 -0.633696073771953 0.584005331358929 +M191.029T43 191.029296615591 191.025984693244 191.033423876473 42.9289027516359 41.92780207457 68.9509199973114 34 3 24 241 5.07118288773759 6.29080439367053 9.92755953443947e-07 +M191.075T468 191.074909920792 191.074057171488 191.075256642627 467.763259138896 467.214277067944 468.0992993736 27 0 27 105 64.8637027013041 6.118047472558 1.8166129400754e-06 +M191.15T43 191.150252560338 191.149814750647 191.150873487281 42.7909994209276 42.5859726464823 43.454833668118 16 0 16 311 7.77557699997393 5.87578205069644 3.23856985096072e-06 +M191.545T43 191.545362295073 191.544501120075 191.546095156811 42.7313172318287 40.7321127505234 43.77224743287 23 0 23 312 17.2552091187832 9.74227569127107 2.20756524171861e-10 +M192.013T66 192.013317904329 192.012884865019 192.017507174029 65.9877719561097 64.987651753089 66.5928669678509 24 0 24 [M+K]+ 153.046 2 19.1414409312641 6.62324433789969 4.93402622314676e-07 +M192.037T45 192.037044874399 192.032356430826 192.039434325373 44.5310469225012 43.2884444052762 45.8915999037942 25 0 25 [M+Na]+ 169.044 55 12.8134622724139 5.34281282321467 1.35410474149111e-05 +M192.07T413 192.070143977892 192.069427612378 192.070498059609 412.878298140532 412.259040331162 413.217569997632 27 0 27 [M+H]+ 191.063 123 52.1724651731688 7.86252831893953 2.436606094669e-08 +M192.07T372 192.070139194145 192.06914943024 192.070651027341 372.197677538733 371.828893697197 373.054094355333 14 0 14 135 14.4838410050497 6.18300236339537 1.53132675273504e-06 +M192.072T161 192.071670052102 192.069962492642 192.072919422095 161.392569718519 159.966114410025 162.911076085025 18 0 18 [M+H-NH3]+ 208.091 4 5.8049643815179 9.1927990331711 1.16197762523029e-09 +M192.164T54 192.164094122863 192.162152581715 192.164196765583 54.1939845613002 53.6291285574054 54.4011696225473 3 3 0 [38][M]+ 833 35.5603667521536 -14.4673838021353 0.0047059923285937 +M193.054T227 193.054216307168 193.053083320747 193.054658848267 226.918942720313 222.975313943326 234.748022394041 30 0 27 [M+H-C6H10O5]+ 354.104 112 32.8248932324021 12.4048595220745 1.99262828459723e-12 +M193.054T251 193.05418118251 193.049860569385 193.054655766957 251.164441438287 243.901145237413 266.89589667994 33 0 25 774 19.293639058688 11.6210788943993 8.50208792257945e-12 +M193.054T282 193.054259918123 193.053174358405 193.054503664551 281.985254355334 281.236199123748 282.668825730106 24 0 24 1357 34.4176984172457 13.0915857053701 5.87974113841483e-13 +M193.054T376 193.054357833887 193.05369449054 193.055345183575 375.608320508959 374.883959294812 384.292301921872 40 0 25 100 56.1673790749775 6.00369585033334 2.42463725097508e-06 +M193.167T54 193.166944474333 193.16525403052 193.167421430978 54.1939845613002 53.6291285574054 54.4011696225473 3 3 0 [38][M+1]+ 834 28.4344410295952 -11.8646785603423 0.00689748485112074 +M194.089T161 194.088863849676 194.08738312773 194.092679514431 161.480100145601 160.383907049415 162.911076085025 18 0 18 516 3.32042253027136 8.72362217881568 3.16608494976833e-09 +M194.122T882 194.122261010425 194.120965041892 194.122902928132 881.683367926839 881.465972517979 882.326353823292 9 3 6 765 23.3888706525231 -22.7255166298118 0.0019199987440679 +M195.009T1387 195.008775852421 195.005788916817 195.00977561524 1386.78385689932 1380.12566392668 1402.11784149917 28 2 23 44 1.03716370988243 -0.475171733235995 0.647366902160661 +M195.126T882 195.125855716866 195.124088809042 195.125857122479 881.637347773149 881.526306494798 882.072843970453 3 3 0 768 10.8221976131392 -24.3964065558878 0.00164056621420139 +M195.128T161 195.127608128528 195.125399351351 195.128142825993 160.780931450516 152.377341514307 177.838066906771 64 3 27 [M+H]+ 194.121 4 11.6499246265047 12.3206743932286 2.67208477566783e-12 +M195.252T160 195.252046068487 195.250957839597 195.252370079783 159.904192924997 153.669435862073 162.229947013094 29 0 26 24 11.6658003092742 12.0832013559279 3.216538146944e-12 +M196.103T163 196.10279322459 196.098479180836 196.104355680286 162.772286773916 155.976738862835 179.20094354877 55 0 27 [39][M]+ [M+H-C6H10O5]+ 357.152 4 60.5181894831888 13.0868611686146 5.99076344087734e-13 +M196.226T161 196.22609859373 196.225063000135 196.226474732946 160.926915284601 159.966114410025 162.229947013094 24 0 24 4 1098.32854091157 12.1964775768931 2.91189294898686e-12 +M196.956T1486 196.955663566328 196.951592895523 196.955887733064 1486.4128871293 1467.89043465647 1501.87817798872 47 3 25 42 1.31447879569279 1.07581830671774 0.327063661302358 +M196.955T1383 196.955464314199 196.951663441592 196.95580855572 1382.60374709084 1380.93620452481 1402.01451962073 33 3 26 [40][M]+ [M+K]+ 157.993 62 1.01959984809306 -0.289552486222614 0.785751167257059 +M196.956T1451 196.955667323201 196.951356802901 196.956012457491 1450.67602433907 1436.49542226129 1465.26527570856 41 2 22 132 1.24694420293249 -1.19518945886001 0.307955000713963 +M196.956T1423 196.955650782268 196.95547536494 196.955967670108 1423.25220220989 1413.82428182426 1434.40180357873 33 2 19 1188 1.09831735227976 -0.280726771778937 0.803275349960148 +M196.957T38 196.957204997816 196.955223933787 196.957550257423 37.982264682449 36.2575126705222 46.5114206569107 34 3 26 [M+2K]2+ 315.985 1 1.04430678710797 -0.146183269057724 0.893958181537264 +M197.004T1391 197.004176970096 197.000932904318 197.004805662801 1391.03082117597 1382.86552181602 1404.47062294557 51 3 27 44 1.14409367016685 -0.742294354967782 0.486477359826313 +M197.005T1484 197.004854775288 197.001146881724 197.005108830518 1483.87123779656 1466.0615835705 1502.55817798872 87 3 25 [3M+H+K]2+ 118.018 42 3.80304874039084 3.60056318538433 0.00126551837604416 +M197.005T1451 197.004896377177 197.000600984744 197.005173523562 1451.37575480847 1430.03546385952 1465.36448867388 82 3 25 1251 1.13501658958273 0.615081609892098 0.585382105035759 +M197.005T1421 197.004879001186 197.003820105791 197.005156448892 1420.89896252573 1413.82428182426 1428.88847133183 30 2 20 1184 1.20024959979487 0.863940437492802 0.474122529698949 +M197.004T29 197.003852879638 197.000876580265 197.004965438735 29.2259196751447 24.4455414877752 47.1946424096735 10 2 8 313 1.42301871097234 1.47625006712051 0.2627707408704 +M197.005T1398 197.004910106734 197.00481464887 197.005076655587 1398.40851653644 1394.46549707016 1404.19789950095 18 1 14 19 1.15018169729821 -1.01681745192589 0.378736489765023 +M197.082T358 197.082220780369 197.07867397016 197.082869829305 357.629546902299 356.921092841184 358.302642191757 30 3 27 219 1.00580112705241 -0.130295651944508 0.89733831479374 +M197.107T162 197.106526092642 197.102420036848 197.109762847968 161.605995753776 156.0114809995 179.20094354877 48 0 27 [39][M+1]+ 4 7.58428342187359 10.9768129326263 1.54520840567329e-11 +M197.959T1382 197.958770709514 197.954975170277 197.959350983676 1382.39651766936 1380.93620452481 1393.44777792724 17 2 15 [40][M+1]+ 62 1.05074759774279 0.316530801586771 0.771802400905287 +M198.007T1392 198.006638037467 198.002704568292 198.007506912597 1392.15857838048 1382.86552181602 1445.11959077164 53 3 27 846 1.16918775921086 0.541449571326324 0.632793749594267 +M198.012T73 198.011746881565 198.010773923068 198.012856963739 72.715930713388 72.3397265198908 73.1696987337351 21 0 21 [M+H]+ 197.007 68 5.90340850163134 6.96173427428867 1.51061588127277e-07 +M198.058T76 198.057539571273 198.055475647151 198.057633636794 76.0262486203418 76.0054540769532 76.1799240390991 3 3 0 1213 9.89702054159353 -5.28162549286959 0.0334903079530771 +M198.082T56 198.081541205265 198.080700260178 198.08223778309 56.1636654710085 55.3155570869231 56.5046912420039 27 0 27 [41][M]+ 424 91.5469802595256 6.45059269824456 7.77615616787131e-07 +M198.094T45 198.094141760721 198.09045603157 198.099628691811 44.8159623887041 42.0287371994674 64.2092011906627 27 0 23 [M+H-HCOOH]+ 243.091 55 60.3953640080794 4.89025067887361 4.484747429645e-05 +M198.102T41 198.101765064942 198.100727903548 198.102328837942 40.7480180763331 40.1077803249214 41.4770808859824 26 0 26 [M+H]+ 197.096 1 13.9613774421327 10.0315808193291 1.10402353925565e-10 +M198.956T1376 198.956348948041 198.955160199934 198.956669628642 1375.84093861621 1374.41109559433 1396.20825381281 31 3 27 32 1.07544701824916 -1.09767593569056 0.367859523302971 +M199.006T1440 199.005551019804 199.001258510032 199.006017570231 1439.6982724415 1411.52614284755 1474.99461555245 121 3 25 1331 1.40851639429088 2.25929746285006 0.0513950735632593 +M199.006T1401 199.005589128189 199.001608079109 199.005922300467 1401.3274405495 1393.44777792724 1411.13427733813 38 3 26 848 1.06645185628658 -0.432522479294192 0.693695254420108 +M199.005T1490 199.005498059548 199.001512502791 199.005823046458 1490.29817798872 1475.27738749357 1501.87817798872 47 3 25 1068 1.21188034645116 1.27766533303446 0.217449032803981 +M199.005T1378 199.00524680259 199.00404477319 199.005582513327 1377.85847366079 1377.01232163067 1379.07298731532 28 3 25 1261 1.07991567092453 -0.841233986621959 0.482609772652149 +M199.084T56 199.08399925902 199.083367624212 199.084363876605 55.9425627837298 55.3155570869231 56.3442642325716 15 0 15 [41][M+1]+ 424 20.6974113756311 6.47130488970318 7.35622429415272e-07 +M199.135T340 199.134636834519 199.134542146606 199.134731522431 339.983033582154 339.567938546658 340.398128617651 2 2 0 1368 4.33012933347579 -9.33434333351382 0.0111218185611577 +M199.135T304 199.13490551772 199.133088096359 199.135131038287 304.01889512836 302.97427720527 306.260669888185 3 3 0 1358 18.6377043914011 -13.9784398635832 0.00505950620635964 +M199.135T387 199.134620979321 199.133099786654 199.134820854287 386.673730169319 386.484654456891 386.754546876388 3 3 0 1340 5.83226309799015 -13.4893970765053 0.00535692716546166 +M200.028T1413 200.027540337308 200.023684219784 200.02796405193 1412.74581990532 1394.15369553662 1432.09123779656 59 1 21 [M+Na]+ 177.038 45 1.11329075967323 -0.387433464412921 0.727435384594916 +M200.028T125 200.027941845822 200.021733710808 200.028625732855 124.770409987426 105.71292470423 169.12833765057 67 3 22 [3M+H+K]2+ 120.034 11 1.10134725001692 -0.512816091598054 0.613510102679836 +M200.025T1380 200.025364401466 200.02424016983 200.027825517162 1379.62090759053 1378.86647378699 1392.56073162295 23 1 21 62 1.66018016945762 2.39998776849869 0.0253867579380365 +M200.028T61 200.027753454793 200.025291551509 200.029072793819 60.8437292758343 4.64740591121251 103.276870379071 201 3 27 424 1.23686336886647 -1.04473481100632 0.312427507124473 +M200.028T1484 200.027560594596 200.02703835453 200.027823414937 1484.0182799045 1469.56123779656 1499.99882696822 61 1 21 1069 1.78111154762377 2.23142454669605 0.0340269627539058 +M200.028T1453 200.02753690738 200.026931351753 200.027911478023 1453.03542535871 1433.36934217098 1468.32716629226 69 1 21 1252 1.17465632124605 1.32507652911712 0.250012611216301 +M200.154T61 200.153852768574 200.149969132293 200.15463616202 61.1080911279478 35.2115845315306 106.004389717388 101 3 25 [M+K]+ 161.193 424 1.61509780658281 -1.94710442154422 0.0863848874660866 +M200.202T47 200.201805717783 200.198750531036 200.20221497319 46.7762124050972 35.2115845315306 59.7367074286937 12 3 6 [M+K]+ 161.243 55 1.39605230588616 -0.581955056743474 0.615375405175633 +M200.326T38 200.326111931788 200.324884540118 200.326207134569 37.5891591902864 36.7078101321514 47.9652650274376 4 3 1 1 3.59670197954029 -6.79091803523503 0.00807091303609786 +M200.551T41 200.550824532575 200.550132642249 200.551034635797 40.8833460203565 40.6657600259911 43.8279802770798 25 0 25 314 2.63581102443594 4.72907922266742 6.99470053038276e-05 +M200.952T1376 200.952085785521 200.950659095974 200.952763294504 1375.78684121424 1375.02302774539 1376.6542897653 30 3 27 [M+K]+ 161.991 [M+K]+ 161.991 32 1.00627619055606 0.0482810149638729 0.965610208394568 +M201.002T1378 201.001549533545 201.000106823355 201.004753502773 1378.42223533342 1376.79514949107 1399.59940457706 47 3 27 1261 1.17586804690502 -2.516835797902 0.0917431035737826 +M201.031T49 201.030973620612 201.026284396004 201.034676614276 48.6926652699594 34.9422162347893 85.6967997691126 42 3 21 [M+H]+ 200.03 55 3.14772138053857 -2.88559518280896 0.0872049497631866 +M201.115T161 201.114563286911 201.113654616726 201.115255120918 161.4562279348 160.902014504838 162.256918852868 19 0 19 4 1.67382725001887 6.39605944844815 1.09733686914915e-06 +M201.558T41 201.557914580822 201.556576150003 201.558673415024 40.7321127505234 40.5581237525204 41.0434910168718 15 0 15 315 5.58177340793161 5.92864667304753 2.55595400133757e-06 +M202.03T48 202.029936796693 202.025145583242 202.030925611686 47.5518311471048 35.8016732949356 85.6967997691126 29 3 19 55 1.14930437654762 -0.566962846225729 0.576314397831208 +M202.185T64 202.18492431975 202.183376810575 202.18543467001 64.3915567784139 61.7729968242363 64.6858597518148 15 3 12 427 41.8878028964267 -16.6316409712941 0.00358173048232335 +M202.976T1375 202.976125215034 202.971166108558 202.979414836673 1375.11592363241 1371.09160528789 1380.918337664 39 3 27 [M+K]+ 164.011 32 1.04873507664141 0.568230128542801 0.598654216385285 +M202.993T120 202.99265191336 202.99104151727 202.993623748343 120.418702336806 120.324407611617 120.832707321472 3 3 0 876 15.3978611807208 -9.58712998935159 0.00799432756349061 +M203.006T172 203.005512937021 203.001047496695 203.00584919408 172.177844138959 165.684088905364 180.413750867077 18 1 16 [M+K]+ 164.044 4 1.11329217105346 -0.9625203912381 0.415615368451 +M203.014T76 203.014073857128 203.011696436535 203.014183862164 76.1799240390991 76.0054540769532 76.7057822980097 3 3 0 1214 17.1969059000578 -17.5512977458793 0.00270569879432303 +M203.045T35 203.045256579328 203.044283244976 203.047250041651 35.1475339075042 34.1910829828605 36.0265414877752 29 3 26 [M+K]+ 164.079 234 15.3979005312246 15.5790423938466 5.99520433297585e-15 +M203.052T182 203.052291137448 203.051372928707 203.053457657553 181.708132870664 173.787149455126 194.610375135929 7 2 5 891 1.38915450714067 -0.635503545644505 0.588922527990432 +M203.057T41 203.056974915509 203.053906678628 203.057810833666 40.6946698665224 5.32940591121251 55.7447383275087 40 3 27 252 5.26485009754003 5.29510531616089 1.29542723150688e-05 +M203.061T117 203.060571412685 203.054839423528 203.064215534466 117.240544344224 95.3384425203371 135.391391786566 28 3 18 63 35.0278754330835 -3.1050635720937 0.0899154376829543 +M203.057T147 203.056720070806 203.055642446101 203.060210766305 147.311166309542 138.251842948082 159.879299790824 9 3 5 [M+H]+ 202.053 36 1.57434860122272 -1.11148892858954 0.375261100509594 +M203.155T43 203.154739818471 203.153540995631 203.155454531834 42.7207739737001 42.0083329413487 43.4559846009013 24 0 24 316 89.2449878888827 5.6894876158462 5.50460346460113e-06 +M203.187T63 203.18736405206 203.18463962952 203.188427666807 62.7543446872448 40.7321127505234 64.6097441181223 4 3 1 442 3.13651856460992 -11.2491283930596 7.93948377415532e-05 +M203.19T116 203.18980569643 203.188917841853 203.190693551007 116.496451364443 116.233284013787 116.759618715098 2 2 0 673 2.32555426447824 -1.43847988747839 0.281198936790962 +M204.023T56 204.022917379283 204.02007369814 204.029359866689 55.612765572094 36.7078101321514 85.9036876477223 35 3 20 424 1.25197211613947 -0.889609397625824 0.385020900670942 +M204.026T140 204.025783641832 204.020134869509 204.028139239426 139.6969425146 130.275098983695 157.052053068526 11 2 6 1324 1.54250514772595 0.94877737035505 0.390309006611037 +M204.046T35 204.046175889605 204.044435914199 204.04680070429 34.8382869639781 34.1910829828605 35.4160509488292 19 0 19 317 2.88483590737301 10.4498214668809 1.08915361174411e-08 +M204.065T117 204.065414127072 204.062205318075 204.066860407089 116.546249423891 116.233284013787 122.370499229909 4 3 0 674 162.77340447207 -2.9086887089402 0.10066117617559 +M204.149T157 204.14878234148 204.148119755057 204.149213127803 156.816225595547 155.127210634535 159.197581943683 3 3 0 892 4.65674090818218 -10.9330423614525 0.00748986209494218 +M205.034T75 205.034185604433 205.029737249366 205.034567540345 74.9447415522942 52.2713978703278 91.6858489194498 29 3 19 1215 1.38263513246961 2.16728747517581 0.0463620193967977 +M205.034T26 205.03358287114 205.029210748755 205.034559170219 26.1034950198361 4.07805094882922 46.2861713873353 40 2 20 1231 1.35887079080648 1.55640304273986 0.239538606899782 +M205.034T145 205.034014600508 205.029345672835 205.03448486655 144.578943482116 131.160494878866 165.684088905364 24 3 19 36 1.6051106001584 -3.30258191273314 0.0403523447655645 +M205.034T121 205.033844173115 205.027481127996 205.034521024213 121.230054594054 97.8220075619748 126.955786194193 26 3 12 870 1.04753778194529 0.338961583122101 0.753354089857015 +M205.034T1426 205.033669081771 205.032592511204 205.034008601568 1426.15178434565 1411.92585460198 1445.91303054722 69 3 27 995 1.37483489881499 -1.44257402770992 0.247949886333728 +M205.034T1484 205.033661283968 205.032693431818 205.034029504037 1484.15817798872 1454.49461018813 1501.23779365747 63 2 21 1063 1.58923817997421 -0.923710690784677 0.449851108369626 +M205.039T41 205.039275546613 205.034896750304 205.042868164958 40.8598318202578 34.1910829828605 61.2788654013533 34 3 23 318 1.59325742573548 -1.12519716933853 0.37160618076677 +M205.091T1062 205.091368651077 205.090150140168 205.09173817897 1062.12453937996 1061.62280431218 1062.52446338369 28 1 27 [M+2H-C4H8]2+ 464.235 449 3.74563339468243 5.37066764158146 8.53501094095765e-05 +M205.102T162 205.102067691895 205.100621882679 205.102711557796 161.790082737099 155.976738862835 179.20094354877 49 0 27 [42][M]+ [M+H+NH3]+ 187.066 4 266.970056966786 5.11694978204372 2.46783372657156e-05 +M205.148T653 205.148202146185 205.146343282077 205.14860232385 652.963656957048 652.413160225245 654.155090901521 30 3 27 [M+H]+ 204.141 159 1.25275545776429 -11.1826971861802 0.00221956210347574 +M206.105T161 206.105384132022 206.103998417507 206.106279056749 160.896287711754 155.976738862835 179.20094354877 31 0 26 [42][M+1]+ 4 37.4129929068602 4.86327337699845 4.68416349646006e-05 +M206.144T85 206.14367061519 206.141534301323 206.143832665334 84.8675540825027 84.1719356817194 85.0268835163931 3 3 0 1139 25.9125973129603 -11.5561735490739 0.00738179262664151 +M207.055T116 207.055168072849 207.053827989315 207.056508156382 116.496451364443 116.233284013787 116.759618715098 2 2 0 675 82.0430833594125 -3.32945939440123 0.0795798390162865 +M207.13T467 207.129727600949 207.127710209746 207.13040369829 466.541116203815 457.69683375892 467.185753762507 31 3 27 1292 1.36647133756739 -15.9143887726381 2.48689957516035e-14 +M207.212T1014 207.212053054985 207.210887578607 207.212456882331 1014.32581434893 983.170961965166 1023.99314317308 42 0 27 563 206.728857203191 6.3855108196201 9.1686917347289e-07 +M207.212T1047 207.212192288705 207.211164040872 207.212469739253 1047.23296258966 1045.78821443403 1056.34077681675 24 0 15 564 212.648220815117 5.81484956293063 3.97291295128888e-06 +M208.069T56 208.068813913572 208.068097942176 208.069147451074 55.9698112031935 55.3155570869231 56.3572121042971 18 0 18 443 77.0297568687125 4.61147503625449 9.37328189083431e-05 +M208.101T596 208.101295736973 208.100415116867 208.102176357079 595.740643655672 595.355854695434 596.12543261591 2 2 0 231 11.5475553877965 -5.96790757620076 0.0269084406934601 +M208.16T73 208.159531582324 208.157392180721 208.159669164949 73.2787731032769 70.5961070314735 73.4577054053336 3 3 0 [43][M]+ 1216 141.520003248219 -11.9778096048123 0.00689675773080767 +M209.097T163 209.097291887078 209.096015810693 209.098154974177 162.631417191796 155.874374250524 179.20094354877 25 0 20 [M+H]+ 208.091 4 5.36979248880882 7.34967610128249 8.02387303266983e-08 +M209.122T282 209.122464832701 209.121049491044 209.1227835961 281.758759866839 277.101019715045 286.066040491392 16 0 16 [M+H-H20]+ 226.129 157 15.6303041470112 7.86933991782127 2.40163533504756e-08 +M209.143T162 209.142884924195 209.141391751499 209.143418457844 161.790082737099 160.383907049415 176.260759137195 41 0 27 [M+H-C3H2O3]+ 294.135 4 11.3446900527133 28.8981311108164 0 +M209.159T965 209.158644705131 209.15704064288 209.159034061334 965.160199026682 965.097958400103 966.233020436703 3 3 0 91 5.23575115185375 -9.90805655942095 0.00987760405257232 +M209.163T73 209.162798640728 209.160400929301 209.162833615233 73.2787731032769 70.5961070314735 73.4577054053336 3 3 0 [43][M+1]+ 1217 117.277639586311 -9.89001795865382 0.0100623846603471 +M210.995T55 210.995341368861 210.99386881553 210.996813922192 55.2707353097753 54.8762006824748 55.6652699370759 2 2 0 444 6.2655197443571 5.71465734744598 4.17935607432973e-06 +M211.007T54 211.006698272044 211.000550164034 211.007911014025 53.6637142283093 53.2418550288453 56.5046912420039 21 0 21 [M+H]+ 209.996 18 6.25199607536256 5.00386532086578 3.2080649767785e-05 +M211.558T43 211.557602274476 211.55640532947 211.55821726373 42.8740815055858 42.0900497683593 43.8279802770798 25 0 25 [44][M]2+ 239 34.2757189069323 8.33648828370554 7.81904252455945e-09 +M212.059T43 212.058775926621 212.057624492391 212.059105072979 43.10170323109 42.0900497683593 43.77224743287 16 0 16 [44][M+1]2+ 319 35.9544131376879 8.43777596096947 6.32602681349681e-09 +M212.154T160 212.154411863367 212.153126858853 212.154841715116 159.904192924997 152.993614395928 174.327794685265 35 0 27 24 6.81961274011203 16.6263056984495 1.33226762955019e-15 +M212.997T1408 212.997217704888 212.99251708024 212.997503970231 1407.69006008382 1385.83329093119 1463.43123779656 38 3 26 45 1.08169300050321 -0.225011547924735 0.841425933431401 +M212.997T26 212.997155291116 212.992792732409 212.997575659395 26.4054765753602 24.4455414877752 30.5160094867608 15 1 14 70 1.3232872486451 1.33257972943972 0.310344305848104 +M212.997T1498 212.996664807258 212.993230928329 212.997231564682 1497.93275067532 1494.54882696822 1501.19817798872 4 2 2 199 4.78799652229205 -1.39772142054801 0.289399813502523 +M212.997T5 212.997173065549 212.996558367456 212.997948576313 5.35092623919791 4.49112716133961 12.2530509488292 14 0 14 1098 Inf 8.94229628836 2.06089101340012e-09 +M213.047T151 213.047421105243 213.046406037718 213.048436172767 150.860164204645 150.706444103055 151.013884306234 2 2 0 213 1.32715419465563 -1.86733928726919 0.19645036760305 +M213.073T844 213.072528959765 213.071801644822 213.073256274709 843.552161564972 843.038688530069 844.065634599876 2 2 0 13 1.69073489040418 -3.27122027948106 0.0802392878888876 +M213.078T339 213.078496693936 213.076274263311 213.078801376317 339.432397735324 338.623749295503 339.987817678963 30 3 27 [M+Na]+ 190.091 169 1.01198712146123 0.477570994310104 0.665637338890251 +M213.152T626 213.151664697986 213.150969524537 213.152143794681 626.498714711568 624.739832976118 626.931825564626 30 3 27 134 1.01878950966098 0.405119962766303 0.708782025889946 +M213.151T319 213.150776561291 213.147959337334 213.151395507679 319.241689914722 308.768248942694 339.717931196083 10 3 0 1299 342.972663540711 -11.5657422383918 0.00739043660952188 +M213.151T381 213.150925420897 213.148864395745 213.151202421198 381.229907294058 381.040021685622 381.338201953837 3 3 0 1233 40.6491550321502 -19.019500550159 0.0027054631162251 +M214.044T43 214.044355087012 214.043714905122 214.046548645887 43.1173644352491 42.1827981533419 43.4956728362821 24 0 24 320 13.6150640243991 8.87843001906953 2.29256236217168e-09 +M214.147T54 214.146504710131 214.144382979882 214.146668325641 54.1939845613002 53.6291285574054 54.4011696225473 3 3 0 835 31.819397798769 -12.4192011030948 0.00638397978692717 +M214.993T1395 214.992962782979 214.98861381622 214.993263907507 1395.49996512633 1384.41692234046 1415.62077171537 70 3 26 [M+H]+ 213.985 [M+H]+ 213.985 19 1.10479952737326 -0.551752790548493 0.632015275346357 +M214.993T25 214.992717663987 214.988083717909 214.992966490941 24.6540829828605 4.07805094882922 31.2585414877752 27 3 14 70 1.32228944820476 1.31575699982453 0.311593573200263 +M214.993T61 214.992913608477 214.988413078447 214.99329893761 61.0181441240405 46.8012382196891 88.5675815456668 29 3 11 424 1.18491514481989 -1.09074165195714 0.366074019838716 +M214.993T120 214.992771634619 214.986176160834 214.993210604006 120.425462710614 95.2208262296652 129.399438113933 19 3 9 871 1.83080787595253 -2.86252896107778 0.0709926098197842 +M214.993T144 214.992909642258 214.988513259559 214.99328190882 143.942659642983 138.140570812103 165.001289946006 12 3 9 36 1.08312691902363 -0.456082691330241 0.683098280384744 +M214.993T1471 214.992817793327 214.991688588986 214.99312100198 1471.4228871293 1431.8998443287 1497.99084116324 169 3 25 1140 1.19467821228541 1.08872835939586 0.329533243343633 +M215.057T153 215.057286775225 215.053100755175 215.059042232233 152.913514370179 151.013884306234 154.423523324949 4 3 0 1287 3.83214593225014 -5.71907423925105 0.0288423102785562 +M215.131T313 215.130522835185 215.125627678806 215.134345907867 313.381535141024 310.828281740933 314.422705616244 27 3 23 1271 1.10444367907313 1.70889804910572 0.127661353650196 +M215.149T54 215.148519905084 215.147454808599 215.149585001568 54.0151490899764 53.6291285574054 54.4011696225473 2 2 0 836 6.913270524848 -7.94328734927507 0.0149683639336935 +M215.997T1384 215.996879157025 215.996461270349 215.997239481598 1384.41747716019 1383.5655157529 1385.85968758542 14 2 12 1190 1.23467357737526 0.82964239935104 0.480297576460153 +M215.998T1425 215.998231882404 215.996615902476 215.998789353587 1424.96132644297 1394.9207971526 1447.15165303609 85 3 26 1184 1.39085374800681 -0.546533774292826 0.638614962319328 +M215.998T1492 215.998079304605 215.996823896599 215.998294868477 1491.78623170238 1479.11262006393 1500.03084116324 42 3 18 [3M+2K]2+ 118.018 42 2.3939163866344 4.71970032319964 6.593933950505e-05 +M215.998T1464 215.998154363897 215.997779659164 215.998407329404 1464.34488816985 1449.01840388288 1477.07848827353 48 1 19 127 1.00354543841405 -0.0138630585704888 0.990033621027078 +M216.059T50 216.059416858032 216.056622214852 216.059758123373 49.5315955592016 48.8641874666095 61.4719363670437 28 0 27 1155 17.8618150928782 7.6980391786244 3.56441174353961e-08 +M216.067T40 216.066601005543 216.061583754397 216.067254268306 39.8579252571685 39.4164209930302 42.0928662373932 14 0 14 321 6.05740838330941 13.0604105646221 6.07958128284736e-13 +M216.165T592 216.164520013808 216.163702767577 216.164768081052 591.833884832048 591.060514319195 592.201635699377 16 0 16 174 36.5348976455906 5.05070587802396 2.93484709321667e-05 +M217.007T73 217.007390494152 217.005927578712 217.008040486243 72.8022737847571 72.4263617178231 73.8306850160704 27 0 27 [M+K]+ 178.048 68 22.5781125501895 6.81918946468139 2.9977584237173e-07 +M217.05T457 217.049705960087 217.04890365884 217.051068427094 456.853983011093 455.8309158268 457.226932940934 26 0 26 [M+H+K]2+ 394.135 27 7.28148672325116 9.34149790844677 8.23074941536106e-10 +M217.092T523 217.091982885337 217.090984357535 217.092847978022 522.655861146545 522.312376854139 523.03432676906 15 0 15 58 5.84342616683359 9.18644109709753 1.18928955572528e-09 +M217.11T161 217.110029087845 217.105073145362 217.110662557667 160.949609982967 153.060070231744 177.838066906771 62 3 27 [45][M]+ [M+Na]+ 194.121 4 8.83712435754768 14.2720278620229 2.26485497023532e-14 +M218.031T116 218.030781213042 218.030046707349 218.032133776887 116.332880132685 116.233284013787 116.759618715098 3 3 0 676 4.11245364894213 -3.84731901972467 0.057879595948614 +M218.094T167 218.09399025777 218.090745121786 218.099688643874 166.71860399431 156.525723601146 173.527780583322 19 0 15 [45][M+1]+ 4 13.4803868078972 13.6176992967492 2.38475905689484e-13 +M218.109T160 218.109344312359 218.105470823704 218.112449734106 159.536450837307 153.669435862073 166.454069682409 26 0 24 24 6.37922948137273 21.1866775109556 0 +M219.023T60 219.023459745004 219.018824730042 219.024711772282 60.1669642981288 4.07805094882922 93.8072399905444 114 3 27 [46][M]+ [M+H]+ 218.013 424 1.11737903788745 -0.45194826270327 0.656025357015271 +M219.024T122 219.023713139453 219.021098608669 219.0255182943 122.191072279012 94.47882372123 149.910022351881 37 3 10 39 1.19532095692393 0.449037303478621 0.67877577977463 +M219.025T19 219.025177361498 219.024846927381 219.025572506161 18.6819513627416 12.8320991200062 23.5671271613396 20 0 16 138 1.11760026047896 1.10117326316505 0.343336091087744 +M219.03T40 219.029916687538 219.025166067823 219.030702600912 40.1990821998789 39.4164209930302 46.8012382196891 17 0 16 [47][M]+ 322 2.79486955286676 -5.32970315111998 0.0246773688400719 +M219.111T160 219.111303895516 219.106125910948 219.113108982647 160.141895584951 157.012248491228 161.098622014648 15 0 14 893 8.16269455870596 10.3251481607191 6.33524344095804e-11 +M219.155T60 219.154802003094 219.153140863981 219.155264723937 60.3265591325029 35.8016732949356 91.9075399105475 42 3 16 424 1.77827525625799 -2.34507466759665 0.0847938120746927 +M220.027T61 220.026787090581 220.022429312287 220.029088374495 61.2067120410587 35.2115845315306 104.132141758836 65 3 25 [46][M+1]+ 424 1.11695433106271 -0.352916019551398 0.727463438145553 +M220.027T136 220.026667688345 220.020551522883 220.028838566266 135.559954691165 117.438299041981 162.058098466339 20 2 10 1325 1.02603747671674 0.0435876625699043 0.968732649450104 +M220.033T41 220.033215911209 220.030640880279 220.035601241128 40.7086140180782 39.6506578084369 42.1499247210101 22 0 22 [47][M+1]+ 323 2.56766696633566 -4.46746556016059 0.034026525864753 +M220.124T160 220.123674758124 220.11895542779 220.124307491068 160.018172945185 151.906103609038 176.476186829885 57 0 27 24 7.74699637611005 4.76410972917132 0.00171823616156663 +M220.151T146 220.151275231045 220.149385806526 220.152037123103 146.059606274994 140.102184380573 159.531735171779 8 3 2 990 67.2230716941129 -3.66794014610822 0.0669476793946835 +M221.027T63 221.027225469939 221.023833792429 221.029250335076 63.07605838678 35.3399867701741 89.2252490149813 42 3 23 [46][M+2]+ 424 1.79947736892972 -0.75666075210655 0.521973757943966 +M221.027T108 221.026971332066 221.026356922866 221.032590488467 107.949037547213 95.0572450206243 121.688800350713 9 2 3 1227 1.18313189306241 0.594802983073177 0.557618979504213 +M221.034T48 221.033595514395 221.029873121824 221.038522957352 48.4672573785382 47.5518311471048 50.0178168560577 21 0 21 [M+Na]+ 198.05 [M+H-C4H8]+ 276.096 55 1.27549463156746 -1.50693149997631 0.215979850257733 +M221.045T41 221.044706602884 221.042167134418 221.046371754235 40.6708408336973 39.4164209930302 40.9050585695357 26 0 26 [47][M+2]+ 324 3.00436843141748 10.726094109583 2.02156069661896e-11 +M221.058T844 221.058053476565 221.056926757642 221.059180195488 843.520451054018 843.327373818339 843.713528289696 2 2 0 13 4.6343513640661 -13.1998441749988 0.00467327023781139 +M221.155T144 221.154958329369 221.152562159153 221.155442030694 144.238345032699 140.102184380573 148.967693531157 5 3 0 991 27.3200163908013 -2.32059946800766 0.146069966418148 +M221.191T40 221.190809860165 221.189935488731 221.191561057073 39.9511505517887 39.4164209930302 40.4097947234725 17 0 17 325 40.0804931604747 5.97881421320218 2.59358763887718e-06 +M222.072T161 222.071794122337 222.070406788737 222.074097974452 161.406667814837 155.976738862835 178.751452743462 19 0 14 4 2.344528438475 2.28907557394386 0.0304428641338943 +M222.149T147 222.148716325541 222.146178464622 222.149030063489 146.943884452723 140.102184380573 159.531735171779 6 3 0 992 15.2352366636764 -3.48304958936756 0.0734414054104389 +M223.016T38 223.015851391691 223.013470633284 223.015939854882 37.9283631613353 36.7078101321514 46.7360143545541 4 3 1 [47][M+3]+ 1 1.47823474003594 -1.44030682240744 0.279552842608619 +M223.024T50 223.024353610157 223.020782194677 223.026804103949 50.2097607441608 49.6378757829671 50.6117752654732 15 0 15 [M+Na]+ 200.03 55 1.07991213973785 -0.695865197538113 0.530602796883514 +M223.102T812 223.102068258941 223.100204157581 223.102649792439 811.829558428928 811.428278648823 813.862499148264 30 3 27 [48][M]+ [M+H]+ 222.095 60 13.0611818634481 43.1933434271601 0 +M223.152T141 223.15214145163 223.1500527845 223.152154555802 141.201162749776 140.102184380573 144.238345032699 3 3 0 218 22.3274963114376 -5.92061019080749 0.0273450319209751 +M224.108T812 224.107930050079 224.106610623943 224.108676741355 811.806975280546 811.413960498429 812.802704519368 27 0 27 [48][M+1]+ 60 3.20405920778711 18.7276787098804 9.58788604066285e-13 +M224.998T1383 224.998018490689 224.993399636122 224.99856809509 1383.35954134029 1381.00918365193 1393.44777792724 19 2 17 [M+H]+ 223.99 62 1.56926733685037 -1.17859779027973 0.352909242155628 +M225.015T35 225.015324236 225.014267565451 225.015596281355 35.0348096479509 34.1910829828605 35.4171173848445 24 0 24 326 32.3985502313083 8.50232225093773 5.49328182941622e-09 +M225.093T67 225.092791465528 225.091592654302 225.093383128042 66.5515017688371 65.5473559794433 67.3537609722307 15 0 15 2 14.0156981173676 3.83513487978241 0.000717224154198393 +M226.185T665 226.185478952013 226.183579777545 226.186265003494 664.963772233402 664.402496098125 665.335057100819 30 3 27 [M+H-H20]+ 243.191 152 1.02673973432272 0.27736574038925 0.805205682761224 +M227.131T653 227.130876657291 227.128845998069 227.131417133138 652.978160427233 652.413160225245 654.155090901521 32 3 27 [M+Na]+ 204.141 159 1.24610499840502 -9.03140122978997 0.0049534277881933 +M228.024T59 228.023833340442 228.022561755597 228.024072589653 59.0662367168819 58.7345887739542 59.7913514678323 27 0 27 [49][M]+ [M+Na]+ 205.034 423 81.2542315265913 10.6017144202563 5.969558181107e-11 +M228.161T34 228.161078033122 228.158113581316 228.161541022712 34.1572869639781 33.5100829828605 59.048991060472 23 0 21 327 Inf 8.44141536834085 6.36765973283104e-09 +M228.985T43 228.984841863256 228.983872454755 228.985903833262 42.9370314246288 42.5199755372123 43.5173636359832 19 0 19 328 7.54014015247815 16.0393712587523 2.66453525910038e-15 +M229.027T59 229.026980466139 229.026254892525 229.027537083145 59.0511326223163 58.7345887739542 59.7913514678323 24 0 24 [49][M+1]+ 423 16.1332649961638 10.24133875076 1.27055255205732e-10 +M229.075T154 229.074816168054 229.073667271133 229.076250270331 154.446906256864 154.100677910498 158.515862851801 3 3 0 1202 4.64974333092812 -2.25410099348475 0.149014676977171 +M230.076T78 230.075727363642 230.074284891553 230.076313156524 78.2887198202959 73.4028824699218 82.7664492875028 50 0 27 [M+Na]+ 207.089 1206 27.3454875045456 6.69266069281406 4.14772532320029e-07 +M231.025T149 231.02530097281 231.025020920979 231.025581024642 149.492622286162 146.921499497724 152.0637450746 2 2 0 993 5.98902720703022 -2.53645998878137 0.125203648467639 +M231.071T580 231.071046555126 231.069989142501 231.072246748769 580.33699700689 579.933854067422 581.107893167969 25 0 24 [50][M]+ 116 69.3712968461023 5.88324095356941 3.32870742258962e-06 +M231.079T81 231.078798037727 231.077773804891 231.079212877498 81.1424606204344 73.4028824699218 82.4748786329142 24 0 15 26 67.9613791725333 6.97131466818606 2.07441607003034e-07 +M231.086T116 231.086326168148 231.0826088074 231.089753929621 116.332880132685 105.257438474413 116.759618715098 3 2 1 677 13.4963904828688 -10.6694526415384 0.000129809439374462 +M231.126T162 231.125923554493 231.124838370756 231.126666364859 161.503693514519 160.383907049415 175.009005708528 28 0 27 4 2.2465193259563 12.4345322566418 5.88997714601192e-07 +M232.053T66 232.053168395232 232.052050010954 232.053777428263 65.8431369952593 64.8677206665789 67.9537393525639 23 0 23 2 8.19912152027413 8.52531462365116 4.02527833287536e-09 +M232.074T580 232.074289062216 232.073456650261 232.074736832081 580.381776198144 580.179801488507 580.747066820289 15 0 15 [50][M+1]+ 116 15.3490703230618 5.73209611692585 4.88272106013987e-06 +M233.003T1419 233.003261179742 232.999347709588 233.003496632541 1418.93527400788 1406.10451962073 1439.6982724415 6 2 3 1187 1.34849920857409 -0.652505718782636 0.580902702720048 +M233.003T47 233.003064769704 233.001955057115 233.003354971496 46.9881990466808 46.330784094952 47.5351938447634 16 0 16 [M+H-C3H2O3]+ 317.994 [M+H-C3H2O3]+ 317.994 55 27.613331954026 6.34853780285004 1.00709388828335e-06 +M233.039T77 233.039120968501 233.036619192268 233.040115959056 76.8655094751274 61.5483625936136 77.5383875722392 27 0 23 1205 40.1162880073508 5.52237023512141 8.37199460379523e-06 +M233.066T174 233.066403840708 233.062967634268 233.069796694479 174.185639419955 164.179738042789 200.793879655651 67 3 25 [M+K]+ 194.107 [M+Na]+ 210.081 [M+H]+ 232.063 24 1.32986448286422 0.640622618790938 0.580081165978488 +M233.066T219 233.065846368756 233.060796657601 233.066582474703 219.22715642967 205.232577276436 233.427896376411 23 3 13 79 1.22478769681204 -0.996223606230924 0.412499288596855 +M233.066T250 233.065980631697 233.060930282529 233.066308424426 250.209819104593 233.97866818861 279.602780138912 26 3 16 775 1.54215987585564 1.44949242528007 0.194628498055416 +M233.073T159 233.072627985417 233.070038183343 233.075944474489 158.722585178114 153.262143487355 164.271433307584 22 0 17 [M+K]+ 194.107 [M+Na]+ 210.081 [M+H]+ 232.063 24 1.28779512420562 -4.75990369950216 5.35196935238513e-05 +M233.087T730 233.08669260029 233.085676167071 233.087042650921 730.449893677901 729.941954580241 730.86108330017 22 2 20 [51][M]+ 1191 33.9799611804449 5.41561045224272 1.08641589555702e-05 +M233.086T335 233.086217349344 233.085356067406 233.086608057662 334.890175204599 334.528286881925 335.439036276061 16 0 16 1351 10.1636899001545 7.09487943657077 1.55159435299979e-07 +M233.087T457 233.086816137154 233.085801047917 233.087217147167 456.740080510953 456.283771684418 457.094007940588 27 0 27 [52][M]+ [M+H-C6H10O5]+ 394.135 27 359.827974006849 12.5991732152011 1.4113155089035e-12 +M233.222T457 233.222255640738 233.221108552191 233.222651636774 456.810639148407 456.283771684418 457.117927367498 25 0 25 27 231.096068747039 10.0294005633748 1.99202876416393e-10 +M233.988T1410 233.988000901666 233.983728528664 233.988310444971 1410.45022975785 1407.46451962073 1418.48076425707 29 3 26 [M+H]+ 232.981 45 1.04148407603606 -0.526053389411842 0.63147992436149 +M233.988T73 233.988003327056 233.983230134205 233.988566769038 72.8675490223937 59.1653046988279 85.0174438792623 25 2 18 68 1.1914008121953 1.37184641044259 0.251029167876747 +M233.988T1433 233.987908657766 233.986633697104 233.988210756811 1432.5928871293 1423.07093090117 1440.16847959091 37 3 25 77 1.22804541226918 0.921039192612364 0.453948526131009 +M233.988T1481 233.987854216055 233.986879362479 233.988044559733 1481.43817798872 1459.95675035626 1499.35084116324 13 2 7 1282 1.09330831607535 -0.274154094642967 0.803741782764211 +M233.988T28 233.987714361424 233.987523146458 233.987964448257 27.81040691879 25.8790509488292 31.2585414877752 7 2 5 [M+H]+ 232.981 70 1.27896901194511 0.974734831919135 0.431715031481986 +M234.035T54 234.034658199482 234.033437226656 234.038566748373 53.6102853996658 52.7686702795441 77.0217551411652 18 0 17 [2M+K]+ 97.5441 18 2.00489682340079 2.96208152507669 0.00790706728143986 +M234.072T162 234.072152986521 234.064839888935 234.074750604519 162.122539293759 154.930261200983 174.577920998978 23 0 14 [M+H+HCOOH]+ 187.066 4 1.09036128192754 0.68491025642686 0.49908729744586 +M234.09T457 234.090061548304 234.088941166048 234.090334562808 456.748162683004 456.283771684418 457.094007940588 26 0 26 [52][M+1]+ 27 226.696109985981 12.6374209092052 1.31805677483499e-12 +M234.09T730 234.089950695327 234.089019379656 234.090220629056 730.393605814084 729.941954580241 730.848648314499 18 0 18 [51][M+1]+ 1193 23.3025600243078 5.29958155430631 1.42376940326372e-05 +M235.02T58 235.019756585545 235.019257357457 235.02009594148 58.2651653591309 57.7778143088388 58.4757225038517 17 0 17 423 12.3807678897708 3.73056771594867 0.000937140159874117 +M235.054T45 235.054202187879 235.053036268829 235.054707685373 45.4614206427178 44.883305614845 46.1781968975686 23 0 23 1151 5.98020022827445 5.68314804087386 5.53183318574568e-06 +M235.066T367 235.065790016527 235.065090306713 235.066543154422 366.882044468217 366.205836344501 367.450540743133 18 0 18 131 32.8713411378915 4.05712921044938 0.000402509495390113 +M235.079T160 235.07947753432 235.077361267195 235.081157215033 160.216535918296 152.993614395928 162.638260401997 31 0 27 884 1.58618371383398 7.74111731343141 3.18615529515398e-08 +M235.093T457 235.092607099658 235.091728609001 235.093368454897 456.783442001731 456.171206706768 457.226932940934 24 0 24 [52][M+2]+ 27 10.1250091434788 10.9815900505681 1.57838186964909e-11 +M235.942T1390 235.94151563424 235.940595327033 235.941834856589 1390.28712772044 1388.68807498134 1394.82470637267 16 0 16 44 1.03495234250153 -0.265166262327792 0.811394709317186 +M236.147T683 236.146964435701 236.144796170706 236.147043635288 682.806224039981 682.3736008594 683.151838373638 3 3 0 191 6.03850197028165 -23.3927516448329 0.0015924350341936 +M237.017T50 237.01650803006 237.013748717305 237.016733214079 50.231879042135 49.6378757829671 50.7127069957341 32 3 27 [M+K]+ 198.05 55 7.99647731049524 7.95895423442547 1.94466611702637e-08 +M237.067T43 237.067121875178 237.060040804611 237.068069611485 42.7909994209276 42.0083329413487 45.4965700040436 26 0 26 329 40.9196567764989 10.7692586476622 4.08026945564188e-11 +M237.118T990 237.118283169583 237.116254521535 237.118453619534 990.260410337264 989.998304168691 990.337554659251 3 3 0 1034 20.8079514193477 -7.158190673358 0.0189203193437666 +M237.983T1381 237.983350667669 237.981784457684 237.984250543357 1381.13646710292 1379.84838067985 1382.13115547942 30 3 27 [3M+2H]2+ 157.993 62 1.07603986844001 0.91999277618581 0.426979329922138 +M237.985T45 237.984786227337 237.982094425221 237.98920047142 44.9906037267995 38.2194324223322 55.6507600198388 41 1 27 1152 3.96321279416351 7.91313737106433 1.28155404066632e-08 +M238.126T465 238.12625785564 238.124179237923 238.126395449693 464.747427452872 454.538106867105 465.521991775011 4 3 0 183 16.2699546833526 -3.52323540492607 0.0719522245629034 +M238.144T683 238.143953421497 238.142033817568 238.144587411027 682.806224039981 682.3736008594 683.151838373638 3 3 0 191 4.48277992060124 -11.3498161136499 0.00734631981946232 +M239.095T388 239.094790347614 239.09189767437 239.095148090848 388.018464979794 386.924543110891 389.090379878259 30 3 27 143 1.04802397275989 0.603311294938951 0.595572467825171 +M239.155T162 239.154983058325 239.152472804043 239.155529037278 162.168282000989 155.127210634535 178.751452743462 48 3 27 [53][M]+ [M+H]+ 238.149 4 2.05321159370625 3.53429355000905 0.00247882051768378 +M239.167T691 239.167340092014 239.165411223204 239.167490505754 690.551960124644 689.971201570513 690.97415247323 3 3 0 204 21.1673176834272 -37.3320532471096 0.000706826106635194 +M239.985T1375 239.984738975553 239.982791876729 239.985602554644 1375.16394797962 1374.3278125 1376.78492024593 19 2 17 32 1.02757089284281 0.213468850901612 0.847965619779222 +M240.16T162 240.159862494584 240.158896373143 240.16081908486 161.503972356402 160.64912421585 163.332480761031 17 0 17 [53][M+1]+ 4 1.74049299436239 3.12859779845354 0.00515447150902926 +M240.993T35 240.993296255318 240.992042867916 240.994728097242 35.2898305978722 34.4671271613396 36.0265414877752 29 3 26 [54][M]+ [M+2K-H]+ 164.079 234 7.09382577739034 18.3324899796841 0 +M241.005T52 241.005437329938 241.001251847865 241.00754589915 51.5997778116251 50.3634914877268 58.2833953683229 18 2 14 [M+H]+ 239.998 55 1.01550593377884 -0.0709047070905292 0.948719110496135 +M241.183T585 241.183086126556 241.180862351981 241.18332967643 584.510688929278 584.47086633238 584.529020394224 3 3 0 175 19.2325690684934 -11.6558926988108 0.00727305424495883 +M241.995T35 241.994984326332 241.994655930284 241.995552369974 35.277063473292 34.4671271613396 35.5999298630706 16 0 16 [54][M+1]+ 330 8.64748166476494 20.3464264639914 0 +M242.106T154 242.10594518339 242.104264463821 242.106698682028 153.796678675063 150.965778919856 160.869784037248 20 0 18 1288 11.9295039869727 6.6365464274233 4.76857859421642e-07 +M243.025T35 243.025103739257 243.023675081736 243.025844104708 34.8382869639781 34.1910829828605 35.4171173848445 15 0 15 331 37.0732910870505 8.97001488954934 1.9353554314705e-09 +M243.104T144 243.103559387362 243.101033678447 243.104761071206 143.608351527285 140.536479378063 157.548223016091 34 0 19 [M+H]+ 242.097 987 160.745525158511 5.60854097061415 6.78204743409516e-06 +M243.142T1063 243.141607728012 243.140186373779 243.142537482597 1063.24876275905 1062.98458879202 1063.55141456084 5 3 2 [2M+Na]+ 110.068 449 5.29868771496457 -1.61376236114564 0.247290852885184 +M243.189T159 243.189491906757 243.18650091633 243.189737939455 158.690661904488 153.060070231744 175.54663141461 6 3 0 903 97.3879259711667 -3.40410910493386 0.0765186422151145 +M243.189T252 243.189249965154 243.186468118223 243.189693023243 252.49478164 244.353701663993 264.171636503427 5 3 0 [M+2H]2+ 484.363 10 45.263304432929 -23.9141677351496 0.00172536290177905 +M243.691T155 243.691050912299 243.688188171637 243.691227799301 155.457958035533 153.060070231744 161.925446322351 5 3 0 1203 925.356958004825 -4.58240975389181 0.0444694984644018 +M243.996T59 243.996388709069 243.994982490722 243.997124774821 59.0730714467656 58.7345887739542 59.6440062032208 19 0 19 [M+K]+ 205.034 423 23.3479530163545 12.0788628790165 3.41593420216668e-12 +M244.029T35 244.028814405391 244.027467325297 244.030404926287 34.8523372469883 34.1910829828605 35.4171173848445 16 0 16 332 74.9444335894155 8.91916381449669 2.16535811503604e-09 +M244.085T43 244.084860950251 244.083636824526 244.086060041787 42.8674988290866 42.6080015411653 43.6749981877759 17 0 17 333 60.009955662196 4.48729726519413 0.000129487022776598 +M244.099T51 244.098586620153 244.097689420574 244.098986048547 51.4138986212021 49.9086140191794 52.0867723522242 26 0 26 [M+H]+ 243.091 55 110.545791380109 5.70440487825518 5.2889122761357e-06 +M244.137T35 244.137466582703 244.13663013577 244.138786052881 34.5450012139817 33.5100829828605 34.9127877327433 20 0 20 334 20.9076170047946 14.9719081539317 1.73194791841524e-14 +M244.197T665 244.19691983072 244.194292507256 244.197500820569 664.975139701184 664.402496098125 665.335057100819 30 3 27 [M+H]+ 243.191 152 1.04377496932512 0.986130793278496 0.39703883232917 +M245.025T35 245.024609919711 245.022522488944 245.025123121557 34.8790821523703 34.1910829828605 35.4171173848445 18 0 18 335 50.8363639066977 9.0681650983252 1.55137369617364e-09 +M245.069T56 245.069258307544 245.068584356367 245.070018190292 56.1779889264496 53.4570737103619 58.0680775554587 24 0 24 435 108.650975376531 9.15369406567705 1.26731070082542e-09 +M245.085T812 245.084882776634 245.082341514218 245.085122205212 811.829558428928 811.428278648823 813.862499148264 30 3 27 [55][M]+ [M+Na]+ 222.095 60 8.1042102135273 46.1073921285062 0 +M245.083T66 245.082833176075 245.081807746321 245.083209097825 65.8704201094927 64.8677206665789 66.4440964296942 27 0 27 [56][M]+ [M+H]+ 244.073 2 194.713854221518 7.99897474960521 1.77266055167991e-08 +M245.105T127 245.105088174771 245.103772793258 245.105969567401 126.710535545153 125.564526842935 127.434137847492 19 0 19 791 8.86503758033528 6.099275791884 1.74383759077301e-06 +M245.11T243 245.11049548551 245.109040860687 245.111950110333 242.640608994406 242.31903033251 242.962187656301 2 2 0 1143 4.44572995025264 -5.35699067228679 0.0325954688890211 +M245.224T812 245.223959732153 245.222673690836 245.224168209178 811.86188994646 811.428278648823 812.802704519368 27 0 27 60 9.02537567735021 32.5912632613641 0 +M246.042T490 246.04195204044 246.040896214537 246.042378859313 489.868294978054 489.190726661192 490.459332420045 14 0 14 [M+2K]2+ 414.163 108 33.4237682371476 11.9801654696779 2.4589219549398e-12 +M246.074T42 246.07359872118 246.072682341339 246.074594608952 42.2778141036446 41.8304219307383 42.7733268527857 16 0 16 336 58.7683865293015 7.88591943006657 2.28039411798164e-08 +M246.087T66 246.086743418443 246.084927257553 246.087719553294 65.9129831144726 64.987651753089 67.1164581178714 25 0 25 [56][M+1]+ 2 18.7789839454507 7.00325926578868 1.40503631618216e-07 +M246.088T812 246.088228902563 246.086886964047 246.091551641358 811.809638596527 811.428278648823 813.862499148264 31 3 27 [55][M+1]+ 60 11.0803081012483 43.7671360734193 0 +M247.022T45 247.022304107442 247.019966885407 247.027300964888 44.5310469225012 44.0647266346445 45.4965700040436 15 0 15 55 15.8316166966083 7.48636313856616 5.43277871578596e-08 +M247.056T167 247.055572243397 247.050925178614 247.05628267233 166.903977835533 154.779319082304 191.461549067562 53 3 17 [57][M]+ [M+K]+ 208.091 [M+H-C2H4]+ 274.083 [M+H-C6H10O4]+ 392.11 4 1.09031504039711 -0.220250802276293 0.832594500537888 +M247.085T54 247.084571051352 247.082245835679 247.08672338947 53.645322055437 53.259245549535 65.5774006880672 22 0 21 837 89.9141468563711 9.46157569582509 6.36076968874022e-10 +M247.09T812 247.090425269647 247.089064955393 247.091024524306 811.806975280546 810.747770305873 812.802704519368 27 0 27 [55][M+2]+ 60 4.35455532663312 24.8672219367809 0 +M247.139T380 247.138590060634 247.137638107003 247.139206508813 380.429717735617 379.61649230703 381.879309303007 24 0 24 71 18.0798427572113 5.97609568968331 2.61788817690345e-06 +M247.135T127 247.13473663063 247.133672493954 247.135727148541 127.391448979335 126.804261596307 128.080054374112 16 0 16 792 41.900150593381 4.40919793256009 0.000159789328583404 +M248.033T56 248.03275057138 248.030903241386 248.033030550291 56.3201172791093 55.7212284048131 56.8919802408281 15 0 15 [M+H-CO]+ 275.017 424 42.9311091389648 7.62452421025858 4.29797908374496e-08 +M248.059T166 248.058935807374 248.055821554218 248.059126430546 166.313323277037 157.468959176516 185.273311346187 14 2 7 [57][M+1]+ 4 1.09874194132199 -0.282465814547517 0.789852280778637 +M248.203T34 248.202605527176 248.201571579961 248.203072084562 34.005842991635 32.8290829828605 34.6088305978722 21 0 21 337 Inf 10.53608227153 7.06843472642049e-11 +M249.036T43 249.035603308476 249.03468698146 249.038943157402 43.0942642945468 41.5295542938611 43.6749981877759 25 0 25 338 48.6063598360122 3.19797013907798 0.00362012151791546 +M249.071T114 249.070913405621 249.069385034027 249.071528735253 113.686520276198 113.034864108022 114.499487310189 27 0 26 69 1.95933344347494 4.04617021093141 0.000406264174528825 +M249.071T75 249.0708047969 249.06804387253 249.071161491415 75.3477153538007 75.3230243044018 75.4986201653264 3 3 0 1218 40.6206945444933 -17.7894984937862 0.00307545387620012 +M249.097T116 249.096901289193 249.094296006026 249.097369675698 116.332880132685 116.233284013787 117.438299041981 3 3 0 678 1.28207063603841 -1.44504676144537 0.209125003305196 +M249.117T283 249.117259009861 249.116040645583 249.118954372508 283.081240891521 277.101019715045 307.986315693085 22 0 16 [M+Na]+ 226.129 157 68.4908839168798 6.40281045592489 8.76945627670267e-07 +M249.119T908 249.119231536822 249.118033526957 249.1197676896 908.102868576345 907.978663316217 908.541872815428 3 3 0 1236 97.9196217803122 -8.07403626164582 0.0149692615464403 +M249.12T929 249.120403561921 249.117782759338 249.120480283098 928.7094502622 928.155510430781 928.984709601763 3 3 0 857 258.435548753647 -10.032845259884 0.00978307953558666 +M249.16T278 249.160472305258 249.158421830849 249.162541396848 277.796824491568 274.575117076309 280.058916643643 21 1 19 176 1.04662575811102 0.31728131565087 0.775493404297545 +M249.188T945 249.188020420298 249.185841501199 249.188083834536 944.795275527049 944.69747510075 946.377279282446 3 3 0 229 2.22619344806691 -6.49276880569715 0.0219017778105492 +M249.212T759 249.211745779486 249.209087335427 249.212154573635 758.599847755657 757.198395577979 760.48810673083 30 3 27 [M+H]+ 248.205 197 1.65832786863493 17.9241726795718 5.41273470489045e-10 +M250.007T59 250.007456838311 250.00690056448 250.010374583698 59.1770583850655 58.856781326169 60.1027768261185 21 0 21 [M+2Na-H]+ 205.034 423 34.1623703295997 18.1319247440746 2.22044604925031e-16 +M250.1T160 250.099959430536 250.09828083011 250.101070129996 159.92993129614 152.317895971496 177.392155542513 45 0 27 [58][M]+ [M+K+NH3]+ 194.107 [M+Na+NH3]+ 210.081 [M+H+NH3]+ 232.063 24 61.2387514502126 5.30898982277603 1.48442903959989e-05 +M251.05T43 251.050468154787 251.045118973921 251.052027244874 42.7914052739041 42.0900497683593 44.2475254951158 26 0 26 236 6.91938045912901 6.54990654374952 5.72240795637668e-07 +M251.102T159 251.101664586994 251.097873976618 251.104017089728 158.909895176604 152.317895971496 162.229947013094 18 0 15 [58][M+1]+ 24 34.4694871886756 6.90521757539491 1.87322524380917e-07 +M251.131T529 251.130926287476 251.130103247223 251.131749327728 529.037341419955 528.679174869954 529.395507969957 2 2 0 1092 10.7050439820296 -5.28193663147542 0.0336231719466913 +M251.166T35 251.166393844814 251.165189699932 251.166608515955 35.2729124076114 34.4671271613396 35.5999298630706 14 0 14 339 66.8409796544535 7.11389308508446 1.43139998076691e-07 +M252.057T82 252.057411488173 252.055577180085 252.058280969943 82.0671914438162 75.1098346943606 82.6374975082264 16 0 14 26 103.625934029207 7.68756594801551 3.67169692427893e-08 +M252.116T121 252.115607226911 252.113629418116 252.116271567015 120.525958159845 119.9151019633 126.49095282814 28 0 27 [59][M]+ [M+H]+ 251.111 21 792.439093560568 4.8861665727601 4.53793268138103e-05 +M252.151T376 252.150980179109 252.148356086054 252.151632956712 376.396184305206 375.786108097168 376.912042476202 22 3 19 [M+H+NH3]+ 234.117 1283 1.19709958728539 2.31243349249668 0.120625745982721 +M252.165T537 252.165393711546 252.164298170371 252.165766704225 537.408931333894 536.918459441314 537.860226184608 27 0 27 1093 24.3972021876327 10.0225886128295 2.01772820673796e-10 +M252.172T329 252.172031890541 252.16922290686 252.172437436553 329.129662488262 308.089878758049 345.683718655754 9 3 0 1344 12.6656370067473 -3.49412520245429 0.0730175604784966 +M252.257T120 252.256727116532 252.255027139949 252.257250768324 120.388399695672 119.94461345295 124.219380451502 18 0 18 21 Inf 3.85684897575516 0.000678347132170742 +M253.118T121 253.118356134334 253.117022971832 253.119003439619 120.507978890134 119.9151019633 126.49095282814 27 0 27 [59][M+1]+ 21 92.2134276952952 4.77607594739131 6.06511630629747e-05 +M253.169T316 253.168809207327 253.168723686179 253.171676450881 315.902437103963 308.089878758049 329.129662488262 3 2 0 1300 9.79497091179959 -4.43634993031841 0.0471498870525231 +M253.184T732 253.183628480798 253.181464256345 253.1838042984 732.250811780615 732.154239940345 733.168248990189 3 3 0 [60][M]+ [M+Na]+ 230.197 114 36.1679680796829 -52.7303541142098 0.000355403784965791 +M253.183T786 253.183314495527 253.18158297137 253.18351842905 786.223576474321 785.476465903741 786.536720855682 3 3 0 57 12.6903889290307 -18.8475311679594 0.00277721827119581 +M253.953T1391 253.953298261206 253.94833145439 253.954627581183 1390.79624154557 1386.90052618567 1407.51606441341 38 3 27 [M+H-COCH2]+ 294.957 44 1.08933386553695 0.565731560711093 0.624984713653767 +M253.959T1404 253.95880526444 253.95483363653 253.961824450378 1404.11380014742 1398.28906309039 1413.44781006389 42 3 26 1083 1.35077614105252 -0.783815520989859 0.506189650997986 +M254.187T732 254.186927596283 254.184609023371 254.187038090689 732.250811780615 732.154239940345 733.168248990189 3 3 0 [60][M+1]+ 114 25.2369358249354 -31.560828350269 0.000991993337391417 +M255.01T50 255.009520574569 255.008175455485 255.009891933034 50.1040512158583 49.6378757829671 50.3681563431489 27 0 27 [M+H-C4H8]+ 310.058 55 48.6512773041258 8.28669915282959 9.05772834514096e-09 +M255.091T571 255.090600611442 255.087656697876 255.093068343458 570.505637587868 569.863861797719 572.260532149243 29 2 27 49 1.03530336616255 -0.597470778193636 0.592565344613313 +M255.104T46 255.103605041793 255.102660060513 255.10404543753 46.2788952527836 45.4365222541744 46.8289865213882 21 0 21 1162 408.923242972994 6.22298532904138 1.38850774700217e-06 +M255.165T777 255.165266265315 255.163302999332 255.165808799129 776.643510507678 775.899812864784 777.073276788914 9 3 6 [M+H]+ 254.159 190 4.23144013748165 -13.4643083048779 0.00498504444987491 +M255.199T884 255.19918891152 255.197477420195 255.199776575098 883.558593533543 883.439151080236 883.667488713892 3 3 0 1373 11.7947929750914 -23.0211447579572 0.00181768053632747 +M255.196T732 255.196182837702 255.19583395423 255.196531721174 732.20252586048 732.154239940345 732.250811780615 2 2 0 [60][M+2]+ 1307 5.14897320296816 -9.93231368995338 0.00940982562482739 +M255.2T1002 255.199521126542 255.19764120574 255.199905616122 1002.2181984969 992.982094687074 1002.87963008913 11 3 8 1130 3.39645371549668 -5.04308530220258 0.0353080530360455 +M255.97T26 255.970170649078 255.965166830047 255.970538748301 25.7518305978722 16.8684765753602 31.2585414877752 33 2 25 [M+Na]+ 232.981 70 1.29145699904971 1.05469963575603 0.399343808710819 +M255.97T6 255.970193352959 255.967657107858 255.970725028555 5.74799776129564 4.2160829828605 9.52805094882922 28 3 25 1099 1.09415209776848 0.300365879534746 0.790203395750427 +M255.97T1409 255.970350785171 255.964927917744 255.970585971313 1409.33416856892 1394.13697718963 1417.05595987049 28 3 25 [M+Na]+ 232.981 45 1.38391382883839 1.71921907012307 0.170458547413984 +M255.97T1430 255.97027992845 255.970059806173 255.970599630992 1430.06634492663 1422.98964892043 1435.63893092661 24 2 19 37 1.11452582286393 0.762647431449779 0.524027104400605 +M256.182T162 256.181838528658 256.176232495046 256.182376931258 161.852979470258 155.127210634535 178.751452743462 34 3 26 [M+H+NH3]+ 238.149 4 1.75825104339103 2.74251207073286 0.0173490524740019 +M256.856T284 256.855928880402 256.854392495106 256.857877444805 284.085324004788 270.115793086425 289.363723915185 4 3 0 195 118.506668610639 -7.58697569130335 0.0169303798574356 +M256.971T65 256.971439327331 256.965866019484 256.973876766556 64.8535304699154 34.9480632867659 108.691863825927 158 3 27 [3M+H+K]2+ 157.993 [M+K]+ 218.013 424 1.11777677713157 -0.137245762803622 0.902198911686659 +M256.971T125 256.971424966349 256.965338484015 256.972177287898 124.891379229496 120.549448073232 149.817306572179 33 2 15 [3M+H+K]2+ 157.993 11 1.70995345209563 1.12077857828705 0.297768398742778 +M257.064T618 257.063698262486 257.061584692321 257.063850310081 617.834585327965 617.799437685731 617.973004524202 3 3 0 [M+H]+ 256.056 106 20.8674627461296 -34.2441285232469 0.000813879838598375 +M257.107T376 257.106624692975 257.104115060356 257.107242145403 376.290246672749 375.063754889339 376.918340308328 30 3 27 [M+Na]+ 234.117 1283 1.04061435910799 -1.09639769476113 0.333405556311635 +M257.113T52 257.113264439206 257.111350287686 257.113930348156 51.6724389796292 36.7078101321514 78.1820801335591 21 3 9 55 3.72536346259308 -4.31266668995423 0.0348704203241184 +M257.119T875 257.119301365931 257.117358379428 257.119707977091 874.542178656369 874.181450698409 874.758421515671 3 3 0 769 6.0126415083071 -29.9372083437553 0.00105751157041656 +M257.975T47 257.974730771473 257.970358584823 257.978886463459 46.8164104556404 35.2115845315306 85.0174438792623 25 3 12 [M+Na]+ 234.989 55 11.4864231513534 -2.13221745145432 0.166278905278239 +M258.115T86 258.114812940375 258.113619234723 258.115466108142 86.3171029030331 83.7390462431071 87.1326573573388 18 0 18 [M+H]+ 257.107 1136 5.46146039376393 6.24100241084632 1.46261904379053e-05 +M258.116T40 258.116271670127 258.114869728244 258.116794649271 40.2427946358395 39.4164209930302 56.9838454718284 26 0 22 [3M+H+Na]2+ 164.079 234 14.6203950783884 6.28970231825173 1.12537091467857e-06 +M258.998T51 258.998173762202 258.996734705819 258.999687800122 50.566474424067 50.2097607441608 51.0427398459753 24 0 24 1147 1.51868293779091 3.04601947681716 0.0230104760426986 +M259.099T59 259.098961821174 259.097998576459 259.099331889208 59.001773389058 58.4643089099317 59.2321491735964 14 0 14 [2M+H]+ 129.045 423 50.0082384733076 6.05834016517513 2.11373315162078e-06 +M259.103T328 259.103026162172 259.101873629543 259.10352284038 328.182335248761 327.337814739701 339.893758969235 35 0 25 [M+H-H20]+ 276.108 147 11.16218833252 8.0654106047147 1.49962189333053e-08 +M259.103T851 259.103497850228 259.102417536524 259.103965517225 850.940734295669 850.270174496947 851.425049415999 18 0 18 [M+H-C6H10O5]+ 420.158 198 9.77330323472442 8.48610488237902 4.6930104247167e-09 +M259.954T41 259.954110900819 259.95171710045 259.956504701188 40.9892931691438 40.564161796899 41.4144245413885 2 2 0 242 436.760312105497 -17.7887014888052 0.00313511558766333 +M260.061T43 260.061166256027 260.055316982464 260.064439295961 42.9055564651073 42.0900497683593 46.0628059599972 24 0 24 340 41.421494723839 4.40165886735468 0.000159910533599206 +M260.111T34 260.111076968899 260.11031375021 260.111778626804 33.6546718709396 32.1480829828605 34.6088305978722 26 0 26 341 42.4796474108134 20.665794207629 0 +M260.111T523 260.110536842966 260.109511986169 260.111029302137 522.798803003405 522.353428672179 523.519094258948 14 0 14 58 19.5078703496871 10.4448367385389 7.71458452675233e-11 +M260.97T47 260.969684923301 260.966125309125 260.973830334893 46.756603235177 35.9420369046039 82.3046655011611 10 3 4 [M+Na+K-H]+ 200.03 55 3.91922541372844 -1.91160580330943 0.19448386524084 +M261.039T56 261.038516479371 261.034981378481 261.044628405704 56.2780613085574 40.3888085817482 58.3859599586517 26 0 20 428 2.54305329197265 -3.51426390845708 0.0614939144501425 +M261.059T812 261.058829134327 261.057539579966 261.059085483637 811.734588518796 811.413960498429 812.802704519368 27 0 27 [M+K]+ 222.095 60 8.80515437001866 48.4135335603868 0 +M261.119T523 261.118811091575 261.11765615461 261.1191529196 522.534491920986 521.839695316241 522.987401820878 27 0 27 [61][M]+ [M+H-C6H10O5]+ 422.168 58 251.085778326873 9.1302179483837 1.36089095548186e-09 +M261.119T462 261.118596774841 261.117521493186 261.119240099438 462.257758035992 461.626586673132 462.824747314643 16 0 16 1377 5.50503524415545 6.44928344491435 7.48224906255146e-07 +M261.131T160 261.131028669599 261.128899551033 261.134283557947 159.879293918928 157.494857566717 164.318468487727 4 2 1 894 3.68851834742157 6.2870508124468 9.81349747242177e-07 +M261.141T162 261.141458901766 261.134952310445 261.144323071451 162.122539293759 155.808513994494 177.688889694505 41 1 23 [62][M]+ [M+Na]+ 238.149 4 3.12398611184926 5.32295920914532 3.17994181284753e-05 +M262.02T175 262.020156414914 262.017352544126 262.020760812807 174.946603044746 155.175288959755 222.596227032319 122 3 25 24 1.22547689880617 0.574647454526124 0.618570892028166 +M262.02T239 262.019993095594 262.017443387378 262.02036226278 239.488374777285 226.015796067729 271.970085873621 18 3 12 1141 1.18395951595521 0.711245971118856 0.535516462122979 +M262.093T116 262.093336139493 262.092535063349 262.096174765303 116.332880132685 116.233284013787 116.759618715098 3 3 0 679 20.4019689233504 -7.20799160876174 0.018674052133135 +M262.11T40 262.10980362402 262.108412029782 262.112763099264 40.1077803249214 33.4762869639781 40.7251247517259 31 0 23 342 62.264365557297 10.1361485608428 1.59135371546881e-10 +M262.122T522 262.121938252009 262.120612361173 262.122257851777 522.472462970284 521.973216929137 524.347402496491 26 0 26 [61][M+1]+ 58 55.0220176076244 8.86993678551587 2.40636799375693e-09 +M262.135T53 262.134527811543 262.133716647656 262.134805908768 52.9257297347313 52.2918863082008 53.6222272434498 14 0 14 [M+H-H20]+ 279.14 18 54.8412496084689 3.66803146560107 0.00110423081192956 +M262.145T161 262.144633751245 262.141140071105 262.149005352562 160.896287711754 155.874374250524 162.650859713444 17 0 16 [62][M+1]+ 4 10.7976361599944 8.70680638333632 2.80825407372731e-09 +M262.988T1374 262.987646262909 262.986768263464 262.988467419591 1374.18000478518 1373.37856662205 1394.52451962073 31 3 27 32 1.40459088189249 2.43594959711514 0.0225538306322872 +M262.989T52 262.989237281186 262.98505893759 262.9931640625 52.1503843282753 37.1763843954932 61.892688647737 37 3 24 [M+Na]+ 239.998 55 2.71869391857921 -3.70547962214011 0.0537656043990693 +M262.995T270 262.995336243954 262.990778391707 262.999243535021 270.094101621101 241.166469786224 282.349227644452 14 2 9 1285 1.08333759498948 -0.541849278268317 0.599909498745232 +M263.072T41 263.072441361512 263.069878646658 263.078056643296 41.1190550360388 40.7001910735083 42.4294282644765 14 0 14 343 12.4406960270252 22.5308734438017 0 +M263.087T116 263.08745555244 263.084465749027 263.088361569991 116.332880132685 116.233284013787 116.759618715098 3 3 0 [63][M]+ 680 48.1526511261733 -3.25328197743005 0.0828889376889594 +M263.098T843 263.097625785695 263.09576719671 263.097837688259 843.327373818339 843.038688530069 843.364397316131 3 3 0 13 3.98070257701002 -31.2940250831579 0.000457668785374121 +M264.057T66 264.057239554151 264.055983269609 264.057581555698 65.8704201094927 64.987651753089 67.1164581178714 27 0 27 2 1360.55576573651 4.75039071695795 6.49527737164313e-05 +M264.061T132 264.06093388672 264.059523458999 264.062028313254 131.528107463232 128.928715358348 135.453360448474 27 0 26 [M+Na]+ 241.071 7 53.6727854832898 4.23566763331312 0.00025201264496344 +M264.089T116 264.089146396026 264.087756987489 264.090535804564 116.496451364443 116.233284013787 116.759618715098 2 2 0 [63][M+1]+ 681 25.5737814904361 -3.50725259926851 0.0724964359355258 +M264.151T89 264.150529033985 264.149228871186 264.151188799103 89.2000737172605 88.2671392262751 100.520840647782 30 0 19 52 141.999534460864 4.01115161836275 0.00045382372050673 +M264.166T720 264.166022281986 264.164862294822 264.166439099025 720.286656909435 719.696250016412 720.72920032277 24 0 23 [M+H]+ 263.159 43 28.2476079227699 3.54231735662752 0.00152304345961429 +M264.238T663 264.238435071268 264.236135103658 264.239038366288 663.16931707547 648.004919499525 680.929456274964 33 3 21 1012 1.00549074565941 -0.0195334201722386 0.985975669415535 +M264.559T66 264.558583169499 264.557246822179 264.558894483964 65.8598407037809 64.987651753089 66.435581733737 24 0 24 2 Inf 4.69006695770902 7.61720338489091e-05 +M265.059T66 265.058898425151 265.055468537821 265.059352951022 65.8269493747121 44.2475254951158 66.2613909628792 14 0 14 2 8.73413682682103 5.43715876790784 9.98937092044905e-06 +M265.063T44 265.063386363232 265.059934998162 265.066660130616 43.5922559568391 43.2085122699879 65.6502909156991 21 0 19 1163 11.8871109571545 19.015529561251 3.94333010689252e-10 +M265.086T143 265.08556321931 265.084375235146 265.086727759787 143.001016215379 140.536479378063 149.866803594503 45 0 27 [M+Na]+ 242.097 987 56.6024850535417 6.31072284102087 1.10820816701107e-06 +M265.114T43 265.113858720097 265.11104140501 265.11476882196 43.4393447413301 41.7643851335541 44.097894106468 16 0 16 1164 8.74612426478175 12.4726270037523 4.72688554964407e-12 +M265.113T843 265.113369784785 265.111074631381 265.113663202317 843.327373818339 843.038688530069 843.364397316131 3 3 0 13 4.257999156194 -13.9421343066773 0.00457697625223519 +M265.184T962 265.183965006234 265.183174987754 265.184581331636 961.946553170797 961.298543441824 976.543589518663 17 0 14 14 13.0355693025689 15.2509056036759 9.54791801177635e-15 +M266.043T35 266.042796043407 266.041570437971 266.043157789668 35.13454495832 34.1910829828605 35.4171173848445 26 0 26 344 379.525410065543 9.1151489320926 1.406992078401e-09 +M266.081T52 266.080723599813 266.074816285943 266.081274967328 51.6008374326439 41.407586304854 52.2605183516715 26 0 25 [M+Na]+ 243.091 55 89.6497595441863 8.26462512032189 9.53380396850889e-09 +M266.143T709 266.143481716427 266.143049313148 266.144126492236 708.907046641832 708.275313982037 709.829604017426 22 1 21 230 1.03639568457797 -0.557056509221694 0.612418196913289 +M266.145T744 266.145001796151 266.142816884314 266.149633796039 744.261543433603 743.738683628005 750.551819119609 33 3 27 23 1.03622343203633 -0.285010706529266 0.798631911290441 +M266.18T665 266.180161485603 266.178035120089 266.181070454285 665.012471762472 664.402496098125 665.503386067582 30 3 27 [M+Na]+ 243.191 152 1.02161013888492 0.402888848805712 0.717518504750714 +M267.009T1383 267.009279701911 267.004009892584 267.009714012292 1383.3096913419 1380.58955063758 1406.31505582214 21 3 15 [M+Na+CF3COOH]+ 110.019 62 1.5648965443906 -1.15104795482821 0.361269008348862 +M267.009T1486 267.008879133436 267.007999536313 267.009704589844 1486.24750527849 1472.17298010753 1497.92077887449 14 2 7 1070 2.48062787206745 -0.911271429416594 0.453912641657829 +M267.009T1447 267.009061789309 267.008045360298 267.009658341983 1447.15165303609 1409.01425448353 1468.73243365806 23 2 6 180 1.42925550604154 -0.910249102668645 0.457406791211848 +M267.066T66 267.065571274186 267.060063709377 267.065910904698 66.0017181416086 65.5473559794433 71.1473751019771 28 0 27 [64][M]+ [M+Na]+ 244.073 2 1136.17145816148 5.567605508411 7.564195798615e-06 +M267.08T41 267.079761092078 267.075468767666 267.082274941607 41.3660814909709 40.7001910735083 51.205459254073 16 0 16 345 67.3065197388776 12.6605823342272 1.18793863634892e-12 +M267.13T908 267.129510990086 267.127532040689 267.129711173854 907.978663316217 888.987591506736 908.541872815428 5 3 0 [65][M]+ 1250 17.0097748463004 -19.6979393544314 0.00252716519148644 +M267.13T929 267.129637658864 267.127453625854 267.129707670479 928.984709601763 928.155510430781 929.379205484539 3 3 0 [66][M]+ 858 35.5399734541817 -22.7243451264092 0.00191767261162967 +M267.13T843 267.129500787333 267.127197275109 267.130110218068 843.430416204278 843.014303886067 843.997692022672 30 3 27 [67][M]+ 13 6.73338260141685 -37.6465322565754 0.000386470706060571 +M267.13T966 267.129761562589 267.127514408296 267.129864153073 965.777601921917 965.551688232666 965.840735209643 3 3 0 [68][M]+ 91 16.4052287818111 -13.2983077548257 0.00556946361325084 +M267.13T456 267.129896993727 267.127041629069 267.129987996935 455.914907901423 455.219861207078 456.007268932596 3 3 0 907 15.0700050477439 -56.3739576577738 0.000102084840649441 +M267.129T786 267.129041481279 267.127363606912 267.130234671816 786.162010959737 785.850708073644 786.223576474321 3 3 0 57 8.09729678466278 -25.3554391885209 0.00135313527419245 +M267.179T1026 267.179176566909 267.176785256851 267.180162681231 1026.05364473091 1020.85058150013 1026.65155418383 38 3 27 565 1.35376238797641 2.6661764258444 0.0175351125096332 +M267.198T926 267.197983535344 267.195539963359 267.198179970049 926.028162912961 924.90552447062 926.065955565708 3 3 0 854 15.4132801790754 -23.1318286589489 0.00183703621920017 +M267.2T990 267.199825503163 267.198187296849 267.199936374581 990.337554659251 990.260410337264 990.675719174889 3 3 0 1035 13.7264904625476 -14.1117472380937 0.00493054858762187 +M268.042T35 268.041534067453 268.040474718012 268.041911902067 34.9480632867659 34.1910829828605 35.4171173848445 23 0 23 346 225.914868296606 9.16310261709551 1.2656460324223e-09 +M268.068T66 268.068303320298 268.067299650503 268.068793474073 66.0080866663855 65.5473559794433 67.1164581178714 23 0 23 [64][M+1]+ 2 Inf 5.55334565636898 7.85172424544456e-06 +M268.111T116 268.110672602725 268.109380109604 268.111953789889 115.613194529338 114.497993602145 146.485173434385 31 1 27 [69][M]+ [M+H]+ 267.103 6 1220.88497130089 15.5438928335604 1.11022302462516e-14 +M268.133T908 268.13306151043 268.131104889481 268.13337556164 908.102868576345 907.978663316217 908.541872815428 3 3 0 [65][M+1]+ 1237 12.0848463692908 -21.7483311842719 0.00197676090533871 +M268.133T929 268.133165934065 268.130586892544 268.13318085354 928.984709601763 928.155510430781 929.379205484539 3 3 0 [66][M+1]+ 859 23.6298649803009 -16.7056304658166 0.00351536030639465 +M268.133T966 268.133070900175 268.131437426706 268.133698652856 965.777601921917 965.551688232666 965.840735209643 3 3 0 [68][M+1]+ 91 10.3140341310814 -7.81769927944808 0.0158062715750753 +M268.133T843 268.132703947892 268.130530422197 268.13285289365 843.327373818339 843.038688530069 843.364397316131 3 3 0 [67][M+1]+ 13 5.25213583943502 -49.6292494368397 7.77783029994872e-05 +M268.255T116 268.254721262719 268.252327988527 268.255575201718 115.531466522392 114.497993602145 116.094707904316 27 0 27 [70][M]+ 6 14440.0499376904 13.1642494903576 5.24025267623074e-13 +M268.27T927 268.270129521409 268.269282774365 268.270731796702 926.847658727592 905.211126929867 947.74478959581 24 0 18 [M+H-H20]+ 285.275 851 97.7055205614124 5.23419150988413 1.81286314466789e-05 +M268.313T116 268.313287691058 268.312684166765 268.313841366861 115.592743985625 114.142119634167 116.78794123533 22 0 22 6 8042.69745597906 5.23464045244662 1.81100997966865e-05 +M268.345T116 268.34533947967 268.343479816613 268.347099116936 115.692160811427 114.815069093763 118.292625905119 24 0 24 682 5252.16502935378 3.88943866072142 0.00062334814708298 +M268.412T116 268.412029677549 268.410127877024 268.412762237492 115.505011886995 114.497993602145 115.915527816495 27 0 27 6 Inf 10.608993420854 6.10422823399404e-11 +M268.456T116 268.45623359767 268.453493603293 268.45695138908 115.505011886995 114.497993602145 115.915527816495 27 0 27 [71][M]+ 6 Inf 10.865012945985 3.66595642731227e-11 +M268.506T116 268.506305120662 268.503545932889 268.50731564239 115.518239204693 114.497993602145 116.828449509859 20 0 20 6 Inf 8.05374335598045 1.55985682148696e-08 +M268.538T115 268.538208763016 268.536691037926 268.540076262428 115.48693975643 115.056184595057 116.214251977175 18 0 18 6 Inf 9.39002939037563 7.73163755241058e-10 +M268.609T115 268.609187804096 268.606417760462 268.611826114486 115.465296125457 114.497993602145 116.430024564038 23 0 23 6 Inf 9.70051968539716 3.97789801098725e-10 +M269.006T1026 269.005876305612 269.003339887369 269.006344938827 1025.93138910313 941.961287414808 1097.59276547935 285 3 25 525 1.70634962904521 -2.07057744556749 0.169013577143613 +M269.005T1374 269.005054856967 269.000518601411 269.005467384916 1373.75680592424 1371.09160528789 1392.07721373619 32 3 27 [72][M]+ 32 1.1029746800078 -0.982029302561784 0.406295349622261 +M269.005T793 269.005231600327 269.000603113086 269.00540296851 792.988707318169 758.146653591633 806.067351055538 40 3 13 981 1.01188554565733 -0.0503330922439373 0.963756217022188 +M269.005T833 269.005219062069 269.002922348664 269.005598108985 833.001793932741 820.403538365332 854.273787891417 29 3 9 [3M+2Na]2+ 164.011 [M+K]+ 230.043 25 1.12170828360664 -1.87526340626801 0.0787036691337211 +M269.005T927 269.005456760941 269.003308925564 269.005721337428 927.463339437261 903.814291147983 932.191051484073 18 3 5 [M+K]+ 230.043 20 2.000401160411 2.24182836626603 0.149765147890043 +M269.005T871 269.005339104577 269.003209477116 269.005695637794 871.489420622754 863.147886926768 902.731006965768 18 3 3 [3M+2Na]2+ 164.011 [M+K]+ 230.043 9 1.62494263794284 1.76217649710706 0.208202645750045 +M269.005T531 269.005161715811 269.002790641704 269.005392160148 531.09886767786 509.895021664324 548.803471389657 20 3 6 [M+K]+ 230.043 1088 2.25697299789219 -2.25311491710646 0.15163391397112 +M269.005T562 269.005028629307 269.002633278679 269.005409505795 562.344272846378 561.71420362962 572.22486205245 5 2 3 1101 4.77814663098303 -1.79253671239672 0.214878158859992 +M269.051T59 269.051208249213 269.050863594646 269.052433557565 59.0592412374842 58.7345887739542 59.7913514678323 24 0 24 [64][M+2]+ 423 106.072667382001 10.4063287681284 8.4308560133195e-11 +M269.095T100 269.094816277956 269.093537677306 269.095367017145 100.48367532841 99.8757765453145 101.000095991846 27 0 27 [73][M]+ [M+H]+ 268.088 90 699.134919598181 9.77656419607622 3.38534977828431e-10 +M269.114T116 269.113632640828 269.111553520644 269.114520334531 115.505011886995 114.497993602145 115.915527816495 27 0 27 [69][M+1]+ 6 391.318762946227 13.4169164242125 3.38840067115598e-13 +M269.151T1374 269.151159261907 269.145720676064 269.151498310023 1373.52729108193 1371.09160528789 1375.56700314048 33 3 27 [2M+Na+K-H]+ 104.108 32 1.19649384964149 -1.35663435482406 0.285938049265209 +M269.156T733 269.155560656622 269.154197329057 269.156001649937 732.837725806246 732.250811780615 733.168248990189 3 3 0 [M+K]+ 230.197 114 3.71192390568357 -36.309292372483 3.31956684362922e-13 +M269.206T1373 269.206043440541 269.202590829482 269.209121798748 1373.14653223847 1369.94827711425 1374.89628729276 31 3 26 32 1.08085506836903 0.667771701441365 0.52538811558047 +M269.214T929 269.214175478025 269.212027180112 269.214347390156 928.852529130799 928.7094502622 928.984709601763 3 3 0 860 1.11557368140103 1.05961823001624 0.393211962961256 +M269.215T1040 269.215316552309 269.21084348257 269.215991891481 1039.99319300052 1019.21620463867 1041.13939997538 32 3 27 566 1.81029495300429 -1.26319745126215 0.326432424531124 +M269.215T821 269.214966744924 269.212729117364 269.21547579945 821.252667468664 821.213311276212 822.70342645435 3 3 0 1279 2.83876700083665 -13.3498967744199 0.00497741596781776 +M269.214T882 269.214251385622 269.21280914635 269.215013350379 881.637347773149 881.526306494798 882.072843970453 3 3 0 765 1.34911310039604 -7.86848825563182 0.00481565170256726 +M269.257T116 269.257330485747 269.255697280769 269.258113070733 115.505011886995 114.497993602145 115.915527816495 27 0 27 [70][M+1]+ 6 Inf 10.1622409204192 1.51476609033807e-10 +M269.459T116 269.45878559614 269.457251630995 269.460411915954 115.531466522392 114.497993602145 115.863417482165 17 0 17 [71][M+1]+ 6 Inf 9.81399481518618 3.12978531979979e-10 +M270.009T1007 270.008869819276 270.007908831856 270.009365146609 1006.5642401915 985.508635449209 1026.41220243024 21 0 14 1131 1.52127902698823 -3.60794006945526 0.0403115095597526 +M270.008T1374 270.008317990881 270.005348854126 270.008762775606 1373.76208665097 1371.87890350201 1374.7203176411 31 3 27 [72][M+1]+ 32 1.00715096048277 0.0442065149309063 0.968379192333392 +M270.097T100 270.097445487393 270.096060848035 270.097924877928 100.481208738784 99.8757765453145 101.000095991846 18 0 18 [73][M+1]+ 90 Inf 10.1008020465612 1.71975766960486e-10 +M270.116T115 270.115660034124 270.114206414841 270.116245992337 115.48693975643 114.497993602145 115.915527816495 28 0 27 [69][M+2]+ 6 492.865450686338 12.738068369955 1.10134124042816e-12 +M270.286T998 270.286339931406 270.285038838323 270.287088759105 997.669104819043 986.064677039791 1007.73308234936 23 0 18 998 6.46941800745234 4.95351358448428 3.38298322670738e-05 +M271.009T1374 271.009229916818 271.005141544154 271.009897719702 1373.70233333333 1371.09160528789 1374.48691290555 31 3 27 [72][M+2]+ 32 1.05992833846127 -0.972323439766478 0.342913233475739 +M271.03T54 271.029931070224 271.029287060962 271.03055121108 53.6154038074979 52.9782883491245 54.3478048049763 19 0 19 18 8.46624587019891 5.25327112688915 1.70823219680649e-05 +M271.066T570 271.066376534102 271.065564339891 271.066902252334 570.186154587665 569.835758381251 571.062316280047 20 0 20 1102 5.42282925875614 11.2539453249699 8.8955509625066e-12 +M271.116T115 271.116482827075 271.114642212765 271.117306961691 115.447228302524 114.497993602145 115.760832346165 15 0 15 [69][M+3]+ 6 4.48801500445549 10.2956352336878 1.91557281148391e-09 +M271.195T759 271.194673044588 271.192764586078 271.195023857922 758.59626469836 757.879399594014 759.803536121645 30 3 27 [M+Na]+ 248.205 197 1.43552593821371 14.0924372784488 1.774136393351e-13 +M272.192T776 272.192431569283 272.189872749951 272.19288375001 776.341835507151 775.899812864784 777.073276788914 12 3 9 [M+H+NH3]+ 254.159 190 4.3248207774964 -33.0279704486228 0.000278010365953207 +M272.191T306 272.191213389951 272.189625854524 272.192800925377 306.218234532958 304.01889512836 308.417573937555 2 2 0 1359 14.191250979235 -10.635197485104 0.00862678104380143 +M272.265T876 272.265012673518 272.263862463656 272.265533641072 876.471049610111 848.961596362312 899.289390478767 32 0 18 765 12.6969249509252 5.2635054335529 1.5575005872126e-05 +M272.944T41 272.944305892426 272.941640050282 272.949498001063 41.0009810397538 35.1215560091358 78.1077259817985 24 3 14 234 3.08526770563458 -10.1571889192213 2.76875383509179e-06 +M273.082T438 273.082493629202 273.08111215136 273.083414033434 437.581710752007 433.909379859439 441.084223117043 52 0 26 [M+H-C6H10O5]+ 434.131 97 61.7278660349767 14.7906435578363 3.48610029732299e-14 +M273.083T538 273.082721891458 273.08150860038 273.083413966911 538.439164618981 536.869065648125 539.023694104013 28 1 27 [74][M]+ [M+H]+ 272.076 67 44.4123515669311 5.51951937179056 8.42966907210752e-06 +M273.101T93 273.100949496686 273.099578608144 273.101247487103 93.282211049265 89.7099543517963 93.6801025250142 18 0 18 [M+Na]+ 250.112 156 23.1215068086663 6.94417492899684 2.24193479114732e-07 +M273.586T41 273.585676108951 273.580493696407 273.588402403068 40.9099625691571 40.5581237525204 41.7643851335541 14 0 14 347 679.632532328074 15.0541917789657 2.33146835171283e-14 +M273.952T40 273.952462623075 273.952305118217 273.952620127933 39.9964904268829 39.8828370496207 40.1101438041452 2 2 0 348 33.022242132822 -3.16273855318927 0.0869604531518204 +M274.058T59 274.058099533466 274.057312906184 274.059291592961 59.174259189496 58.8792205974702 59.8352556962161 20 0 20 423 75.8302174779959 11.8657206630001 5.13411535507657e-12 +M274.086T440 274.085853663285 274.084537684188 274.086383297211 440.320916311333 433.993536783298 441.084223117043 29 0 22 [M+H-C6H10O5]+ 435.135 99 45.6753038326177 14.6103555331932 3.59712259978551e-14 +M274.086T539 274.086202275908 274.08486972239 274.086529761979 538.574962246666 537.999449789596 539.023694104013 18 0 18 [74][M+1]+ 67 18.3449052419434 5.56048820545257 7.322232049356e-06 +M274.091T618 274.090619935169 274.088096941279 274.09063804396 617.834585327965 617.799437685731 617.973004524202 3 3 0 [M+H+NH3]+ 256.056 106 24.4572628239405 -25.1594495344335 0.00156033600452932 +M274.098T121 274.097906699566 274.096425250625 274.098728202891 120.625260603724 120.119873834768 126.49095282814 27 0 27 [75][M]+ [M+Na]+ 251.111 21 54.5925528615267 7.13032312134858 1.42273783421132e-07 +M274.281T911 274.280854080463 274.279857627257 274.281217723494 910.888497843024 881.187544533917 935.461451046102 31 0 18 1238 13.4601045670225 4.2794844865754 0.000222324550681829 +M274.281T819 274.280805961319 274.278342149699 274.281077462353 819.399148538308 800.908213757475 849.653194366045 19 3 14 1280 1.03508352719404 -0.0994278127757879 0.929671634767174 +M275.087T170 275.087397561875 275.081418638328 275.088090523787 170.395529740989 163.971579518873 185.273311346187 28 2 15 [M+H]+ 274.083 4 1.06831769209577 -0.184719371212724 0.858889656195454 +M275.098T490 275.098127245101 275.09673198829 275.09845559637 489.779038044999 489.515589099204 490.214407555631 25 0 25 [76][M]+ [M+H-C6H10O5]+ 436.146 108 61.6291673059668 9.64356102388217 4.47075709786304e-10 +M275.098T456 275.098143930616 275.096866044161 275.098737403921 456.495674138764 455.532335961433 470.814894675784 25 0 24 27 20.0923511265326 12.2307743521972 2.73159272978774e-12 +M275.098T666 275.098236083064 275.096959186107 275.099018312462 665.701430155444 665.289746289053 666.572837476343 18 0 18 152 6.47959811335014 4.33341176135282 0.000187953427798426 +M275.098T559 275.098154686038 275.096915999141 275.098570230249 558.568988774834 558.201312530356 558.96195542455 18 0 18 1103 30.9612852841158 6.04848003294417 2.17197978358286e-06 +M275.095T617 275.094928822949 275.093872094395 275.095985551502 617.222325321874 617.154683907883 617.289966735864 2 2 0 [M+H+NH3]+ 257.06 106 4.45727383196761 -8.53978403186121 0.0117866503068018 +M275.102T121 275.101995438491 275.100468204731 275.107801562278 120.550570689513 119.66660732332 126.49095282814 21 0 21 [75][M+1]+ 21 11.1851748613169 7.18182642029167 1.23353066872056e-07 +M275.132T512 275.131812620579 275.129546602977 275.13197209396 512.408935460638 512.338504037303 512.413509339041 3 3 0 215 6.65755554829851 -12.9580599529738 0.00550082724123868 +M276.082T49 276.082267485936 276.081598236534 276.084864773185 49.3395294199997 41.3489213740382 49.7808771800932 15 0 15 1153 95.6932649921314 5.29837974249927 1.5283506618502e-05 +M276.102T490 276.101678139752 276.100613191205 276.102001034585 489.7777427555 489.049403011976 490.110556746087 14 0 14 [76][M+1]+ 108 91.3683708512239 9.91965750300095 2.29755103831053e-10 +M276.115T131 276.114559144188 276.113253814109 276.115091580369 130.609591682674 129.156549467985 135.669743902778 29 0 27 [M+H]+ 275.108 7 97.0351123646421 6.08111568176701 1.99788087318353e-06 +M276.151T89 276.150615123789 276.145003391448 276.151502301186 89.277857381363 80.983782655646 90.1701163326451 26 0 16 [M+H-H20]+ 293.156 52 104.714228081123 3.48552043257043 0.00175956025488633 +M276.965T1381 276.96499585174 276.964161979991 276.965656256613 1381.1580793063 1379.67123625987 1384.38950844004 17 2 15 [M+H]+ 275.958 [M+H-NH3]+ 292.982 62 1.05030497536499 -1.5949402862981 0.181475602172927 +M277.03T73 277.029678732191 277.028686300021 277.030323194559 72.748017387717 72.4263617178231 73.3959781772542 16 0 16 [M+H]+ 276.019 68 17.4900652585635 7.02293840508496 1.78673215778247e-07 +M277.114T328 277.113752702406 277.112442381994 277.114487243838 328.212539504186 325.973470019111 339.74884931188 33 0 24 [M+H]+ 276.108 [M+H-C6H10O5]+ 438.162 147 49.3935347520417 8.34635427879715 7.9123976259865e-09 +M277.111T161 277.110903686069 277.105546059332 277.112292724033 161.423626870072 155.127210634535 163.332480761031 26 3 23 517 1.51353861871052 1.93556652028604 0.108078078787928 +M277.109T47 277.109393457358 277.107966490575 277.11023594488 46.6915673617946 46.1218802692665 47.4827431433932 15 0 15 [M+H]+ 276.096 55 254.579720233148 5.39210523351734 1.19752550142849e-05 +M277.135T605 277.135304496778 277.13391452191 277.136273951444 604.916978981175 604.279283818385 606.290492148989 27 0 27 [M+H]+ 276.123 163 1.0062399952388 -0.194725256359363 0.84739021924465 +M277.148T776 277.148204488532 277.145373879739 277.148206835371 775.932452335572 775.899812864784 776.938970273283 3 3 0 [M+Na]+ 254.159 190 4.10659575470365 -21.5453646097723 0.000820784661285545 +M278.052T116 278.05198253079 278.049233881837 278.051993787535 116.332880132685 116.233284013787 116.759618715098 3 3 0 683 22.6954817752965 -4.60023255692533 0.0440403767236113 +M278.129T46 278.128907001886 278.127661600389 278.12974574455 45.904316644113 45.5363611971278 46.3589530964707 17 0 17 1149 358.418691984346 4.07407815111278 0.000385283727942776 +M278.214T34 278.214159784027 278.212290976883 278.214609095923 33.9179740288477 32.8290829828605 43.1404645759514 30 0 27 [77][M]+ 349 Inf 10.9921435467237 2.85420576062734e-11 +M278.239T157 278.239125551005 278.23660491837 278.239377718769 156.816225595547 154.446906256864 161.243732564651 3 3 0 895 15.1507525936802 -7.85212137162387 0.0153665825542777 +M278.961T1381 278.960644827764 278.954938504285 278.961102794674 1380.92066910224 1379.86606001569 1401.33451962073 38 3 27 [78][M]+ [M+H-CH3]+ 292.982 62 1.03880743518666 -1.90449416398181 0.10083825960953 +M278.961T1426 278.96082046709 278.959941740938 278.961289310157 1426.18117518078 1413.82428182426 1441.66480641267 43 1 18 996 1.94609097392575 2.73504575807865 0.0107007349898764 +M278.961T1455 278.96084669769 278.960172752296 278.96150676858 1454.57123779656 1442.03581990532 1471.76603979596 37 1 18 1253 1.49785258027812 1.82913008890297 0.084980625000882 +M278.961T1488 278.96096990031 278.960351478995 278.961277968691 1488.48181168521 1472.39777427062 1499.9131441768 36 2 24 1071 1.19803267044454 -0.255650152696053 0.820096601058258 +M278.961T37 278.960659602798 278.955031164225 278.963466021108 37.1763843954932 4.07805094882922 51.1682066288702 21 3 15 [M+2H-CH4]2+ 571.949 1 3.36124127699536 6.06816673391672 0.002578137153598 +M279.046T41 279.046247077292 279.042705246631 279.046974267829 41.457486364313 40.564161796899 43.8279802770798 30 3 27 [79][M]+ 250 4.14560084284124 6.49992582082559 7.15067336010122e-07 +M279.044T618 279.044443458002 279.043671318354 279.046159879077 618.178248249985 617.581340439482 619.214551381088 30 3 27 [M+Na]+ 256.056 106 25.792307871236 -27.34472405318 0.00130337763887711 +M279.046T71 279.045918756002 279.041834925404 279.047565574198 70.7447345340969 61.5335278594849 108.050314834746 26 3 12 799 1.55807317869557 1.28885593210576 0.229142320999895 +M279.167T1062 279.166760744327 279.164371940331 279.167291313817 1061.93750318098 1060.97281926154 1062.49070808426 30 3 27 [80][M]+ [M+H]+ 278.16 449 3.56752978650127 5.14753901972852 0.000383503532767282 +M279.217T34 279.217187157842 279.215904063034 279.218138415101 33.8889472358965 32.8290829828605 34.1853875299984 14 0 14 [77][M+1]+ 350 11.3476970174653 10.8907611597718 3.10256265123598e-11 +M279.963T1381 279.963145338533 279.961825363272 279.963758507335 1381.17181867345 1379.65133543127 1383.5655157529 30 3 27 [78][M+1]+ 62 1.04417279044473 -1.65775706931596 0.169166267618365 +M280.034T132 280.033743568425 280.032112560099 280.035748985259 131.539952796444 128.928715358348 132.567478883246 16 0 16 [M+K]+ 241.071 7 10.0497355250829 6.61783163060945 4.71194952833542e-07 +M280.049T618 280.049206085087 280.046865716641 280.049383962199 617.834585327965 617.799437685731 617.973004524202 3 3 0 [M+Na]+ 257.06 106 5.56390389143921 -18.773095941926 0.00279449826421119 +M280.051T41 280.051271711121 280.049234142859 280.053572147641 41.407586304854 40.5656037034849 44.4607391356254 21 1 16 [79][M+1]+ 351 4.59263709423086 8.195074494952 9.41590649894408e-09 +M280.056T69 280.056073912201 280.055341525515 280.056594948435 68.6420076387791 67.5872584451341 69.246742368161 24 0 24 800 102.379535034769 7.06144392433879 1.66056944417292e-07 +M280.096T86 280.096388962992 280.095699884827 280.097299622947 86.2254191724974 83.7390462431071 87.2147771354684 14 0 14 [M+Na]+ 257.107 1136 48.5981907673088 7.0737960274185 1.53044510176059e-07 +M280.146T53 280.145843795132 280.144993537048 280.146297513824 53.1498724348324 52.5509514405598 53.7608840352159 22 0 22 [M+H]+ 279.14 18 177.986560010448 3.56784704947846 0.0014268910180939 +M280.17T1062 280.169936649047 280.168657303776 280.170801780795 1061.95696557357 1061.28902354536 1062.49070808426 21 0 21 [80][M+1]+ 449 3.01107102585207 4.5321726891313 0.000743721022897326 +M280.961T1375 280.961031349814 280.95963477454 280.961373011925 1374.6450140247 1373.80491108586 1375.31762143662 30 3 27 32 1.07143071342231 -1.87868467841193 0.166840583271741 +M280.961T975 280.961335710911 280.959856997108 280.961930991283 975.411339586466 966.217288059874 1006.41519548905 17 0 15 1016 1.08381099767838 0.462348440398569 0.656352356587731 +M281.061T143 281.060737486865 281.058638806036 281.062321811637 142.841026972162 140.536479378063 149.229135887409 34 0 23 [M+K]+ 242.097 987 108.925980777091 7.22515449299751 1.12818090425293e-07 +M281.07T45 281.0695851552 281.065540612323 281.074509576023 45.1790298766668 41.2460834661904 67.9118986686982 22 0 21 [M+Na]+ 258.076 55 202.961733885299 4.25664937461972 0.000238672274232687 +M281.076T42 281.075971979369 281.075106318756 281.080528836183 42.067145241145 41.4914842269954 58.7487512469252 16 0 15 [81][M]2+ 352 62.1331494211197 15.999026384768 4.66293670342566e-15 +M281.109T843 281.108855748236 281.106600915533 281.109597148734 843.444975733369 843.038688530069 843.997692022672 30 3 27 [82][M]+ 13 6.91863549871677 -32.1797368599471 0.000668455785822974 +M281.108T786 281.107647152359 281.106327902588 281.10896640213 786.036523065133 785.536325274583 786.536720855682 2 2 0 57 9.84980134665066 -16.243664734638 0.00355259737423985 +M281.215T907 281.215484471264 281.213490424412 281.215921406381 906.730072884743 906.62839184835 907.192636368513 3 3 0 1239 8.95360334233319 -26.3062010832692 0.00133679534770348 +M281.579T42 281.579273426451 281.577891393103 281.579570919999 41.7552505175804 41.2460834661904 42.4529648353191 26 0 26 [81][M+1]2+ 353 Inf 12.2270745347347 2.76334510829201e-12 +M281.634T51 281.634364689312 281.632138338433 281.635125585979 50.7082691354489 49.9086140191794 51.0427398459753 16 0 16 1165 Inf 6.9063679229002 2.47963466648571e-07 +M282.021T35 282.020617361526 282.017817021631 282.020917455939 35.2869200423165 34.4671271613396 35.9854059112125 28 2 26 234 7.78499136227649 17.3136399198877 4.44089209850063e-16 +M282.055T51 282.055470651927 282.053599400509 282.056031750778 50.7852348751652 49.786677029739 51.5737628512489 17 0 17 [M+K]+ 243.091 55 Inf 4.75207006329642 6.46663671659553e-05 +M282.087T41 282.086563982437 282.084310204312 282.0896232913 41.2340723728768 40.6759216414035 44.359316463976 23 0 23 [81][M+2]2+ 354 3458.89549544129 12.1319308472871 3.28714833131016e-12 +M282.112T843 282.11223415522 282.110168404501 282.112352823567 843.327373818339 843.038688530069 843.364397316131 3 3 0 [82][M+1]+ 13 4.8537417695214 -30.7346255873654 0.000547194576589138 +M282.127T159 282.12665257496 282.125303739448 282.127278121972 159.284638687315 148.691900132265 162.092497098183 31 0 21 884 52.4167904577664 6.31780375606961 1.07098650992121e-06 +M282.59T41 282.589598798011 282.587013410774 282.592166865835 40.7445240769343 40.2520533676341 41.7117070103202 18 0 18 [81][M+3]2+ 355 Inf 20.0150048490816 0 +M282.957T1375 282.957098173798 282.956390788195 282.957856904332 1374.56356832921 1373.75537616358 1375.31762143662 30 3 27 32 1.02923463805719 -0.908438478417712 0.411143084657932 +M283.039T66 283.038631901908 283.035050220855 283.039772050457 65.985919362345 65.5473559794433 67.1164581178714 27 0 27 [M+K]+ 244.073 2 37.2983153131886 6.14954012426942 1.67413210538925e-06 +M283.124T787 283.124223610504 283.122184752241 283.124639560903 787.221670298095 778.996240036281 787.596257926605 5 3 0 57 9.7222182380083 -21.1545560069366 0.00206172840557861 +M283.124T818 283.12409591863 283.121806849079 283.125080386594 817.772983941812 806.067351055538 817.942951327468 5 3 0 125 9.46720890279015 -18.8655807472597 0.00263718045554517 +M283.182T161 283.181778067531 283.178340054994 283.182727876934 161.094195387136 154.423523324949 163.741944427386 18 3 12 [M+H-NH3]+ 299.21 4 1.97666727533463 -1.6685383205086 0.228790676858703 +M284.106T104 284.106233315666 284.104767697066 284.106762719347 104.23629843051 103.812768742101 104.833349299288 28 0 27 [83][M]+ [M+H]+ 283.099 87 458.99421938806 9.16408608897849 1.26371935138536e-09 +M284.339T1029 284.338510931491 284.335949140002 284.339484526904 1028.95417356223 1016.49021276091 1058.05018783917 28 1 21 534 3.08271276477911 2.88880761805566 0.0126729787618858 +M284.978T1374 284.978286176328 284.975841239845 284.978734000198 1373.79281427952 1372.39907045887 1375.08344755446 30 3 27 [3M+2K]2+ 164.011 32 1.11503690755375 -3.23940994061793 0.0170062303288585 +M285.038T35 285.037900045306 285.036802720228 285.038354611588 34.9127877327433 34.1910829828605 35.4171173848445 21 0 21 356 107.059629313136 9.0019291224509 1.80521197989947e-09 +M285.069T116 285.069102255039 285.066149481701 285.06948447983 116.332880132685 116.233284013787 116.759618715098 3 3 0 684 43.1907510328104 -5.2679559551407 0.034185869267449 +M285.109T104 285.108632426481 285.107218057364 285.109188405721 104.23629843051 103.812768742101 104.833349299288 26 0 26 [83][M+1]+ 87 161.029861033668 9.11744370199894 1.39811273669466e-09 +M285.119T891 285.119180564211 285.11529891026 285.123158755611 890.512149346658 890.255081028583 892.384856139089 21 0 21 [M+K]+ 246.151 56 2.27052395436172 9.2016646763893 5.86794168810911e-10 +M285.126T40 285.125546776531 285.12446465839 285.126106648906 39.8851541760216 39.4164209930302 40.2520533676341 17 0 17 357 98.5632873078282 14.7650787258481 3.33066907387547e-14 +M285.211T638 285.210874112587 285.208945433909 285.21099478394 637.560136162101 637.495889110423 637.766521615624 3 3 0 209 3.92141336448574 -24.8014073840313 0.00156769111028909 +M285.211T699 285.211017236225 285.209503856344 285.211190118483 698.83767203829 698.0488189404 699.138375981357 3 3 0 227 4.981681456858 -9.76351823583535 0.0101075567484923 +M285.225T249 285.225405830967 285.222606128687 285.226096048431 248.65678791764 245.154311477026 251.814126100196 31 2 27 10 1.27391638390918 0.96891488209843 0.425977530135238 +M285.225T161 285.225447380828 285.222118291283 285.226639613287 161.378471622201 159.966114410025 162.911076085025 27 2 25 4 1.56013086882496 3.90265108569382 0.00338931231905315 +M286.04T35 286.039503454866 286.037765635064 286.040306976493 34.9480632867659 34.1910829828605 35.4171173848445 23 0 23 358 49.3209515569132 10.1549364426285 1.53553170179066e-10 +M286.101T102 286.1010359188 286.100142153826 286.108674583485 102.090732352089 77.1825363212876 104.431310097098 17 0 16 149 692.271841746939 20.9659265806954 0 +M286.281T928 286.281433006836 286.280248752164 286.281770460309 928.391431058238 905.211126929867 942.246897469008 32 0 27 [84][M]+ [M+H]+ 285.275 851 198.830789009084 4.88066244595273 4.60220944378253e-05 +M286.282T963 286.281551264371 286.279976291386 286.281911713081 962.66472527209 948.426718782565 972.958787067826 22 0 22 1278 55.3681260180721 6.48781179209345 6.94433924586235e-07 +M286.983T55 286.982693028232 286.978970987551 286.984050131129 55.0810868198772 46.0628059599972 55.7082674299202 19 3 15 [M+2H]2+ 571.95 424 3.14867227128485 -2.04824144199779 0.173947302232188 +M286.984T1376 286.983867936668 286.980499053825 286.988549180363 1376.46865061135 1373.70233333333 1383.31119873677 29 3 23 [M+H]+ 285.979 82 1.30433804015987 1.20477244493518 0.308047164326801 +M287.036T35 287.036300513742 287.034940864179 287.036832293262 34.8663875299984 34.1910829828605 35.30440691879 19 0 19 359 9.06695390744184 8.65885400284574 3.29746718819024e-09 +M287.062T539 287.061771734067 287.060221709136 287.062418443216 539.18094598339 538.542344296557 540.042625319228 15 0 15 67 4.64617840770978 7.1777813246658 3.15759211666489e-07 +M287.098T713 287.09844469207 287.097575206601 287.099081747112 713.033899765409 712.481796861009 713.844992734711 16 0 16 225 3.87875701959373 6.73983733953526 2.90512961553802e-06 +M287.167T962 287.166691837265 287.165014528469 287.167107301002 962.176277369461 961.186129278996 977.040401004047 50 0 27 93 33.6248374114166 16.5042351829037 2.66453525910038e-15 +M287.166T897 287.166444477856 287.165007018774 287.166953901089 896.600820707095 896.287889828546 897.41479927065 18 0 18 202 13.9555209232442 9.44863052186188 6.61512844501999e-10 +M287.285T926 287.284507121835 287.283771746622 287.284958955797 926.278090085415 905.211126929867 942.246897469008 23 0 18 [84][M+1]+ 851 149.082024708349 4.88009273212707 4.60324554956149e-05 +M288.047T59 288.046528944508 288.044902124967 288.046856452915 59.0662367168819 58.7345887739542 59.7913514678323 27 0 27 [85][M]+ [M+H]+ 287.037 423 54.0275706311852 10.4490707250217 8.22020229662712e-11 +M288.297T959 288.297331950501 288.295543195607 288.297887811219 959.459788264987 936.084621151737 971.611409101302 34 0 27 [86][M]+ [M+H]+ 287.29 807 164.607588547225 4.0606249596626 0.000398880125791923 +M288.297T984 288.297445575296 288.297025250057 288.297824400133 983.567076241119 975.729807324098 985.642218503612 20 0 18 1019 56.3983611478623 4.85035693651546 4.9483110550641e-05 +M288.917T1396 288.916788797864 288.910788383343 288.918034279202 1395.98862567046 1384.893532741 1430.45581990532 29 1 15 19 1.09198351396175 -0.425062924391701 0.704966541398401 +M289.002T43 289.001841487396 288.996790468393 289.004782314051 43.4956728362821 43.1568366617941 44.2475254951158 15 0 15 55 1.77485090067605 2.57802591641516 0.0155423876096692 +M289.05T59 289.049752184583 289.048343256426 289.05043632277 59.048991060472 58.7345887739542 59.2321491735964 17 0 17 [85][M+1]+ 423 10.0804440052634 10.5418529939129 6.74802436151367e-11 +M289.075T93 289.075404278902 289.073761392308 289.076184062528 93.175374908617 90.3884107783984 93.6801025250142 16 0 16 [M+K]+ 250.112 156 12.6411395658358 5.98786788569246 2.50644474308892e-06 +M289.11T456 289.11048260361 289.109246260828 289.11194732249 456.300761296001 455.900616895424 476.96207731312 4 3 0 908 10.2203806320272 -16.1749961309031 0.0035387821303563 +M289.162T1024 289.161792678096 289.159247292201 289.162312874849 1024.48240634727 1020.34184372578 1026.89427530835 33 3 27 522 1.00493098636054 -0.0152526036495864 0.98912437790957 +M289.182T999 289.182432236896 289.180737038753 289.182943692924 999.034668110641 998.72271811731 999.419424004445 27 0 27 999 9.72456769446172 13.2075394937561 1.88293824976427e-13 +M289.182T969 289.182498988703 289.180995896462 289.183245091023 968.538519067365 968.080660169159 969.124028671503 22 0 22 1365 7.23869621136998 13.5213303747943 1.12798659301916e-13 +M289.182T896 289.182212273828 289.181067795575 289.183065346131 896.41630963732 895.838358736046 896.748803861445 18 0 18 202 6.61900422122187 10.6945124972655 4.71744865393475e-11 +M289.182T918 289.182163048747 289.18135242944 289.182813398577 918.372217297566 917.714915774438 918.937132313478 17 0 17 211 5.77887532118906 11.805933239208 4.76818584616012e-12 +M289.182T941 289.182325004555 289.180338383718 289.182910831371 940.597200335645 939.956034608443 941.683490926547 15 0 15 223 7.57563023667643 18.2404960404463 0 +M289.3T960 289.300477059934 289.299722606982 289.301031540348 960.132586223719 936.084621151737 985.799429622013 36 0 21 [86][M+1]+ 807 145.732061056026 4.014553261232 0.000449870011489883 +M290.083T41 290.083036831799 290.080849685353 290.083496266707 40.6759216414035 40.1015522873984 41.0766651833473 27 0 27 [87][M]2+ 360 684.797766570329 4.50885687263428 0.000122889607546917 +M290.081T121 290.080504658587 290.075108065567 290.084031649677 121.211808285068 120.351336680729 129.823614506762 19 0 19 [M+K]+ 251.111 21 146.973295413631 9.27784428757177 9.83397363540917e-10 +M290.098T82 290.098273857111 290.096403099513 290.098992659418 81.558863169004 73.4028824699218 82.6374975082264 34 0 20 26 127.827886128129 6.95069114051323 2.21235292308108e-07 +M290.093T116 290.093333560405 290.091387599159 290.094030768855 115.863417482165 114.497993602145 116.466372540921 27 0 27 [88][M]+ [M+Na]+ 267.103 6 281.279458469926 9.63109084644342 4.60531168755551e-10 +M290.585T41 290.584805517137 290.583487265903 290.585433392828 40.68253515047 40.1015522873984 41.0766651833473 26 0 26 [87][M+1]2+ 361 1098.72390487622 4.30437353594369 0.000210604626153854 +M291.01T55 291.010061164588 291.008891021015 291.010679774539 54.9399855416754 54.624679868 55.6640602058754 15 0 15 838 13.1100106504591 5.30496279261092 1.50399384741817e-05 +M291.026T542 291.026168508839 291.02613234319 291.026204674488 541.985990763709 541.666864390163 542.305117137255 2 2 0 1333 10.0746632715568 -23.6821989856902 0.0016440374625053 +M291.077T100 291.077468310868 291.076013514855 291.078042265352 100.48367532841 99.8757765453145 101.204091927635 27 0 27 [89][M]+ [M+Na]+ 268.088 90 249.696389217594 15.0094162536679 2.53130849614536e-14 +M291.091T41 291.090800382054 291.089469262717 291.09276081846 40.7024294970565 40.233535904045 40.8502777707722 18 0 18 [87][M+2]2+ 362 697.369718707792 5.87544934537995 3.39648818470373e-06 +M291.095T116 291.09524350561 291.092396804226 291.096180526783 115.915527816495 114.497993602145 116.471455560487 27 0 27 [88][M+1]+ 6 24.9142141537313 9.47000433925372 6.48156195381944e-10 +M291.2T1029 291.199817068297 291.19860902552 291.201025111073 1028.61662422792 1028.43056381008 1028.80268464576 2 2 0 525 4.76331098080359 -3.53045502849894 0.0703616149223274 +M292.08T101 292.080129900988 292.079166578331 292.080960218599 100.500177730909 99.8757765453145 101.000095991846 20 0 20 [89][M+1]+ 90 Inf 15.4796267388909 1.24344978758018e-14 +M292.205T40 292.205499548973 292.204290187178 292.206097968512 40.2947669755101 39.5622736492881 40.6891486595365 18 0 18 363 Inf 8.09431732269342 1.41891440819109e-08 +M293.098T159 293.098421694674 293.097450349825 293.098890295227 159.150447673147 152.993614395928 175.384048673934 24 0 17 24 4.16093107568475 3.79802681533957 0.000721116067545102 +M293.18T965 293.180217826212 293.177631346543 293.18040159936 965.160199026682 964.418474859239 965.551688232666 3 3 0 [M+H-C6H8O6]+ 468.194 91 9.07465088138388 -20.6961806018052 0.00224037693528034 +M294.162T88 294.161991264937 294.160730429914 294.162563137771 88.0515244751015 81.184581795935 90.5201657805837 48 0 26 [M+H]+ 293.156 52 3017.78742264065 3.63739076253912 0.00119455620543008 +M294.927T46 294.927039558992 294.925917186154 294.934397919005 45.82819752908 38.0080909515137 61.5335278594849 19 1 17 55 1.25920919895039 1.00168961722978 0.360803814001323 +M295.02T618 295.020033570243 295.017682587303 295.020337475921 617.834585327965 617.799437685731 617.973004524202 3 3 0 [M+K]+ 256.056 106 20.3452095009537 -29.9760678451624 0.00108775511112347 +M295.065T539 295.064992480954 295.063632627156 295.065385348195 538.58039676382 537.942921677669 539.023694104013 26 0 26 [90][M]+ [M+Na]+ 272.076 67 25.5388288571767 5.65214359443489 5.61786739705639e-06 +M295.121T40 295.120574884396 295.118578251856 295.121796843096 40.1015522873984 39.5622736492881 40.3891509803951 19 0 19 1 27.2055711373376 9.51113868353724 4.79099648842407e-10 +M295.136T167 295.136397894748 295.131036443077 295.136942101849 166.81705875783 161.790082737099 174.208129576271 23 0 21 [M+H]+ 294.135 4 270.605938711205 5.75253000032642 4.67180102070586e-06 +M295.136T277 295.136336357937 295.134466865481 295.136632943269 276.795327460761 276.430756868503 277.302860743155 16 0 16 1370 21.2082733188831 5.91014600530751 3.08690948624957e-06 +M295.136T199 295.136254301014 295.134543250824 295.136823921811 198.820754770378 189.359256818653 201.084003581226 16 0 16 81 391.177655999708 5.99133876063343 2.51746063506531e-06 +M295.963T27 295.96318528844 295.956887075127 295.963715546802 26.6290669658449 24.3614765753602 29.8899867701741 26 2 24 1232 1.20573632690012 0.684128096974773 0.562293635369873 +M295.964T1390 295.963578012754 295.961840698327 295.963993853744 1389.99550765247 1383.78438434759 1405.47855404743 40 3 27 [M+H]+ 294.957 44 1.262073511551 0.687310738148865 0.560407563990984 +M295.963T7 295.963390655046 295.96161238919 295.963868857677 6.69190288028563 4.27754446315134 16.9515414877752 30 2 26 48 1.75875541593904 1.41332198440794 0.289162578775352 +M295.963T1492 295.963404627728 295.962007694059 295.963859835018 1491.75513867446 1487.56817798872 1496.81123779656 27 3 24 1072 1.51067774341058 -3.14851921179565 0.00903915195002591 +M296.02T618 296.019795655685 296.01943828099 296.020153030381 618.24580218272 617.834585327965 618.657019037474 2 2 0 1293 1.17454112634067 1.18281130812113 0.35672693368731 +M296.068T539 296.068331561933 296.066885453498 296.068728678406 538.704053544102 538.20472845269 539.152177895427 17 0 16 [90][M+1]+ 67 16.883525998093 5.72109612423056 4.38448956252557e-06 +M296.073T39 296.073422737232 296.072732303449 296.074090529224 39.4259746393921 38.386461851556 40.7321127505234 25 0 25 364 966.127149818694 10.3281632873831 1.07680975247604e-10 +M296.141T166 296.140715498256 296.135925292969 296.142127730179 166.158623788893 157.548223016091 178.675939244056 28 0 22 4 157.675338080701 7.49660143810275 5.8508546452174e-08 +M296.178T407 296.177572378906 296.175163676516 296.178219021485 406.972165641155 406.556913662783 407.803570522628 30 3 27 [M+H+NH3]+ 278.144 160 1.09022292233415 -1.95289347945356 0.148454838264543 +M297.138T721 297.138238440722 297.136759307299 297.138957948049 721.205235267263 720.322071808879 722.669330641317 26 0 26 1079 24.6873351248915 20.5903601255691 0 +M297.998T40 297.99802424757 297.993996010305 297.999721438501 40.1101467983991 34.2671300025993 51.1682066288702 38 3 24 1 14.8112428746058 -2.20977324237366 0.157415303353045 +M297.999T63 297.998700030966 297.995308475146 297.999315420863 62.9351778723806 55.0622356776716 89.1663741555734 36 3 17 [M+Na]+ 275.017 424 3.63187397848279 -1.55623605780988 0.25701750375338 +M298.098T131 298.097518353098 298.096233448008 298.098304221708 131.202122729961 130.291647331266 132.567478883246 14 0 14 [M+Na]+ 275.108 7 93.1762585516935 4.96265478694639 3.68661572824891e-05 +M298.104T203 298.104265500013 298.102531279711 298.10458078758 202.6297576132 195.010090254298 208.489942263923 20 0 20 124 19.6537814650743 9.84866224335497 1.87619253466664e-10 +M298.105T164 298.105106671964 298.10413944125 298.108899997981 163.533315150344 156.510571075899 170.309781390192 53 0 27 [91][M]+ 4 170.639343416487 7.0059218866756 1.93473627341234e-07 +M298.104T266 298.104200914878 298.102579343904 298.104852661018 265.981403015044 264.651241409324 266.58620130662 28 0 27 [92][M]+ 776 83.8646828169986 12.1682298597185 3.05511171916351e-12 +M298.133T148 298.132696642853 298.126993466401 298.13459500562 147.620072192715 142.190956280918 150.590912145084 25 0 24 [M+H-CH2]+ 311.131 988 182.322154757293 4.26040175268173 0.000236347919466473 +M298.999T40 298.999176023471 298.997179256834 299.001172790109 40.3168834181079 37.3433460410693 43.2904207951465 2 2 0 [M+Na]+ 276.005 1 2.86128161772209 -1.43218746096275 0.287114978380453 +M299.107T266 299.106707228924 299.10482307684 299.107377633422 265.7784871174 264.651241409324 266.396875632635 14 0 14 [92][M+1]+ 777 10.2252691270981 11.7422633737114 3.66995323020092e-12 +M299.107T161 299.107297048132 299.10506996914 299.114295661378 161.497392452404 153.986627240484 169.12833765057 42 0 27 [91][M+1]+ 4 6.48131703578394 7.79105161733905 2.13454657282952e-07 +M299.117T605 299.11722930691 299.114626205481 299.118036194546 604.877356553816 604.279283818385 606.362393398008 30 3 27 [M+Na]+ 276.123 163 1.35942602794403 5.44637013017361 0.00799368011750845 +M299.13T776 299.130250813428 299.127469565459 299.13121621305 776.384905129321 775.899812864784 776.99135248552 21 3 18 [M+2Na-H]+ 254.159 190 4.48505026038889 -66.2991444909629 3.03923019817631e-06 +M299.182T986 299.181993648502 299.179666280893 299.182226615151 985.574456956387 985.499185710924 985.932523452266 3 3 0 1036 6.3145313644541 -5.15826949205374 0.0353927678114065 +M299.227T1006 299.226944574074 299.224285649871 299.227598909561 1005.84530651695 1005.32808960314 1006.29360226294 30 3 27 1126 1.83964885572597 -3.61605605870946 0.0573443471103579 +M299.226T582 299.226356521625 299.223387758143 299.226488850071 581.789546919898 581.749563554392 581.80217867612 3 3 0 205 9.76599064622659 -68.0495862332349 9.71817477084524e-05 +M300.105T160 300.104889571012 300.102465181317 300.108792035654 160.342594891738 157.052053068526 167.699128090878 30 0 25 [91][M+2]+ 4 9.43993088138838 8.61473135905951 2.54704701774244e-09 +M300.188T634 300.188196457327 300.185795443531 300.188305114068 634.159431668451 634.104275725582 635.037630407891 3 3 0 1385 10.9723755031765 -74.4794601669541 1.08461952061933e-05 +M300.207T317 300.206786489121 300.203112525401 300.208835599707 317.263784977991 308.089878758049 340.927539130191 5 3 0 [93][M]2+ 1295 29.3984369794691 -2.26665245516778 0.151588929854662 +M300.208T278 300.208033305635 300.207390412136 300.208676199133 278.077934594255 277.79106046015 278.36480872836 2 2 0 188 7.09817267989479 -17.5617270935125 0.00317995807723159 +M300.209T161 300.208981277191 300.205355669119 300.212912783363 161.496745317976 153.766601882803 163.332480761031 22 3 18 518 2.56096318386228 -2.13664199191252 0.158971670854662 +M300.216T321 300.216260188334 300.211039600391 300.217706032078 321.345848294164 315.555397180549 322.578381173767 3 3 0 [M+H]+ 299.205 107 30.739562152269 -2.31311003585697 0.146822595400934 +M300.22T172 300.21985527859 300.219836713678 300.221965128223 171.751462461202 168.062798518082 176.227139171361 3 3 0 [M+H]+ 299.21 4 7.4367194728964 -2.67105139346225 0.11585155008812 +M300.708T323 300.70780361279 300.704956358942 300.708253631044 322.578381173767 313.740628955049 334.954568619245 5 3 0 [93][M+1]2+ 107 729.724924753302 -6.65327760818972 0.0218522411942197 +M301.016T35 301.015549666933 301.011717582967 301.015918011745 35.2869200423165 34.4671271613396 35.9854059112125 26 2 24 234 7.56080211828515 18.4560233203352 0 +M301.042T116 301.042094465925 301.039698449673 301.042908823634 116.332880132685 116.233284013787 117.438299041981 3 3 0 685 12.8896643571228 -4.12958900185572 0.0535475539768995 +M301.115T746 301.114960032974 301.113182135761 301.115761475852 745.580442905335 744.904606759652 746.021498979718 17 0 17 [M+H]+ 300.108 23 31.3857451173104 3.58276322886369 0.00137333620878466 +M301.133T407 301.133046033093 301.130612074196 301.133795421777 406.956234624099 406.556913662783 407.446950420005 29 3 26 [M+Na]+ 278.144 160 1.14126628102239 4.70065374589915 6.92877873453845e-05 +M301.149T1062 301.149448264134 301.146822194479 301.14976904154 1061.78261622553 1060.97281926154 1062.49070808426 30 3 27 [94][M]+ [M+Na]+ 278.16 449 2.22150243264583 1.95993312420399 0.11164272748366 +M302.128T72 302.128416665939 302.126997597462 302.129632729494 72.0254380350815 52.5509514405598 72.4864191887635 25 0 18 801 248.736741687459 8.58776341739008 4.55773574437046e-09 +M302.153T1062 302.152655000198 302.150043982673 302.15326701071 1061.81853204357 1060.97281926154 1062.49070808426 30 3 27 [94][M+1]+ 449 2.31068531291524 1.96935947733765 0.11243654877753 +M302.204T155 302.204216592532 302.201078292182 302.204710932331 155.292248750594 152.377341514307 161.925446322351 4 3 0 1204 12.1341285335914 -4.42653576263617 0.0473273622045798 +M302.313T986 302.312750342214 302.311569182014 302.313329148075 986.064677039791 966.901585841412 996.294403467322 15 2 7 1032 1.00951887402384 -0.0202951972755487 0.985270252263521 +M303.012T59 303.011680380121 303.005351884911 303.01426759115 59.0696540818238 35.2115845315306 59.8417014515563 34 2 26 423 1.1489533359422 0.903402013905826 0.447787798572789 +M304.171T41 304.171451509693 304.169624450947 304.174791175989 41.1939748454877 40.6365050413739 41.5033260786824 16 0 16 365 1058.72969733109 8.03106531909768 1.64445683736858e-08 +M304.308T995 304.307739026973 304.304874946297 304.308253679929 994.754343097613 980.590662411385 1016.11855286349 52 3 27 1037 1.21550390991709 0.704009187043013 0.540968574734083 +M305.098T455 305.09799584628 305.094896046968 305.098377455546 455.236521996174 455.219861207078 455.327922048269 3 3 0 909 13.3862891697061 -7.50396267225457 0.0171076800461991 +M305.165T158 305.164735671355 305.160772047798 305.165072312942 158.426861650365 154.446906256864 162.468180860072 4 2 2 24 1.8924806809471 -4.29043699740089 0.00471182909534518 +M306.068T116 306.067661323421 306.065805430598 306.068297627805 116.100671067769 114.497993602145 117.221688605152 27 0 27 686 70.6832981371465 9.41238347108316 7.27758298069148e-10 +M306.088T104 306.088333070855 306.086474242759 306.088991746798 104.444721166741 103.521162299272 105.117486671479 27 0 27 [M+Na]+ 283.099 87 801.568549915432 12.936316186721 7.7715611723761e-13 +M307.021T35 307.021420333978 307.019896805559 307.022756516554 35.13454495832 34.2525444631513 35.4171173848445 16 0 16 234 5.36198749272903 11.0435996103124 1.88802307121705e-11 +M307.052T100 307.05174763095 307.050348693573 307.052275232994 100.48587742413 99.8757765453145 101.000095991846 27 0 27 [M+K]+ 268.088 90 564.612390485398 10.0346203215555 1.96906269067654e-10 +M307.091T60 307.090908144708 307.089454929014 307.091490838117 60.4120033453609 59.4606134266905 60.9884867608886 25 0 25 [95][M]2+ 429 802.761543507762 6.74040159674449 3.74887331400231e-07 +M307.123T364 307.122537755621 307.119192480207 307.122814662701 363.725941582351 363.537157061043 364.035744267149 3 3 0 [M+Na]+ 284.134 194 7.43214550113743 -7.03017148019395 0.0190290179655321 +M307.151T116 307.150774033104 307.147313708693 307.151030183346 116.332880132685 115.551605198096 116.759618715098 3 3 0 687 1516.95174758252 -3.7116977873491 0.0655317979782564 +M307.592T60 307.592344569151 307.590705134458 307.59322140412 60.3069048761562 59.4606134266905 60.8437292758343 17 0 17 [95][M+1]2+ 445 Inf 6.65515272514874 4.6432493316928e-07 +M308.131T720 308.13096985237 308.12929779826 308.131491714174 720.286656909435 719.727102894869 720.72920032277 14 0 14 [M+2Na-H]+ 263.159 43 201.805250876361 3.98800314571771 0.000482115749534273 +M308.153T116 308.153472597168 308.15048635654 308.154182172803 116.332880132685 115.551605198096 116.759618715098 3 3 0 688 8.71156425199831 -3.30233193401433 0.0786004188641196 +M308.226T34 308.225694424882 308.223942524366 308.226216161542 33.9179740288477 32.5930619796878 49.2288597879973 38 0 27 [96][M]+ 366 759.252283023249 8.56747141430786 4.77653183672544e-09 +M308.979T54 308.979488843322 308.978742735749 308.984112423272 53.6962341808936 52.9782883491245 54.3478048049763 15 0 15 839 23.2665943263219 4.1505471082283 0.000315400561375245 +M309.057T43 309.057433850078 309.055149245059 309.057799689912 42.7831206840794 42.0229504541062 45.8915999037942 18 0 18 367 195.151164770767 4.56302268662379 0.000106510127059867 +M309.139T795 309.138845675497 309.136819138152 309.139557186617 795.271876184391 794.545965573825 796.806985201653 29 2 27 982 1.11810322001111 0.408630882528013 0.715346069220069 +M309.138T41 309.137597075794 309.136355904578 309.138796100513 40.7046679206047 40.1077803249214 41.0962438472925 25 0 25 368 322.528640596317 7.12426207721004 1.44729797479926e-07 +M309.188T389 309.188009322362 309.186144119059 309.189874525664 389.01225760578 382.691813435059 395.332701776501 2 2 0 1336 8.79019006568701 -14.6563520939734 0.00346608992824904 +M309.228T34 309.228169689679 309.224935756937 309.228967463657 33.9003704240782 32.5930619796878 66.0080866663855 32 0 26 [96][M+1]+ 369 135.513192983224 8.36388421483918 7.5853154868355e-09 +M310.027T59 310.027095616122 310.025927351722 310.028271118565 59.0522457580864 58.8141156604361 59.7913514678323 17 0 17 [M+Na]+ 287.037 423 10.3206886616182 19.9249020607367 0 +M310.095T132 310.094576067635 310.093371019888 310.095290779915 131.837162344119 128.928715358348 132.776497104512 18 0 18 7 350.854160409199 8.35888875597205 7.66803376350822e-09 +M310.136T146 310.135570364625 310.130789439113 310.136703008027 146.485173434385 139.797323147638 162.702847582348 29 0 16 [M+H-H20]+ 327.141 36 745.022729979913 4.05760065039523 0.000402238515998743 +M310.279T958 310.279126272098 310.278237026777 310.279652749994 958.222680025032 935.398333958225 976.02480455022 22 0 14 [M+Na]+ 287.29 807 118.893609731582 3.6664902403201 0.00110859103182293 +M311.132T155 311.131779600666 311.127731376614 311.133074447531 155.269942404461 144.605212582734 167.619941294402 63 0 27 66 40.2010935843679 5.82304998134425 3.85953186698984e-06 +M311.173T877 311.172943198155 311.171269086482 311.174617309828 876.841343488237 876.787508220404 876.89517875607 2 2 0 770 3.83161563510664 -8.9005292808883 0.0120890230972186 +M311.266T989 311.265665541831 311.26384980277 311.266598351483 989.200273321676 988.605412211242 989.483456502641 15 0 15 1038 92.4596695458782 9.24944929974958 9.99186955397136e-10 +M311.938T1394 311.938488368156 311.936507535844 311.94062084458 1394.18670090662 1384.50098690616 1402.93387521613 23 3 20 [M+Na]+ 288.945 19 1.19412938800654 1.00806477926002 0.389496761815062 +M312.119T59 312.118660382029 312.117247366837 312.119262228696 58.8792205974702 58.4643089099317 59.3654022289111 15 0 15 423 197.437800095417 4.00022487884769 0.000467160002078026 +M312.135T149 312.134935638974 312.132992511918 312.137398672393 149.284481640172 145.130782326985 163.064383451734 49 0 26 [M+H]+ 311.131 988 173.843401433688 6.3803369422523 9.29548120254253e-07 +M313.243T1041 313.243290384854 313.239963015105 313.243844762517 1041.32323333983 1021.97750264443 1042.21687585771 36 3 27 [97][M]+ 546 1.73048957529723 -1.37747269681297 0.296359619351095 +M313.971T35 313.971224869758 313.96799347545 313.972210060651 35.3455414877752 35.2115845315306 46.8427082171145 5 2 2 234 3.35950214391463 -14.2736098555542 0.000160865479599703 +M314.03T50 314.029916697479 314.02898776911 314.03153125542 49.5397339225328 49.0950102042959 50.026130633933 20 0 20 1154 1.49474940312014 2.01033197317569 0.0548495233547983 +M314.099T103 314.09940162731 314.098029644664 314.100167339037 102.561955514125 101.564394775701 103.470164467148 27 0 27 1348 139.896863862466 7.35688244094199 8.1926230244278e-08 +M314.1T167 314.09960996055 314.097990948079 314.100145459212 166.860518296681 163.38669680051 169.627707132418 24 0 24 [M+Na+NH3]+ 274.083 4 29.2803019478247 9.38439552531906 7.3743722239783e-10 +M314.247T1041 314.246734724328 314.243585685291 314.247792148217 1041.32323333983 1040.89203994819 1042.21687585771 28 3 25 [97][M+1]+ 536 1.838351052197 -1.39228920174897 0.291964708168515 +M314.978T73 314.978077588393 314.977468520729 314.978677020225 72.8022737847571 72.2098100465726 73.3959781772542 21 0 21 [M+K]+ 276.019 68 10.2271979791026 4.50184063627722 0.000124251987993595 +M315.118T618 315.117520130627 315.115495621865 315.118124051245 617.834585327965 617.799437685731 617.973004524202 3 3 0 106 8.5721145715338 -19.8394178980082 0.00247991813301596 +M316.147T59 316.146936759118 316.145517646983 316.147367868085 58.707826706745 58.0795501557037 72.2098100465726 30 0 26 [98][M]+ [M+H]+ 315.139 423 232.053415931693 6.14562163019683 1.69260265359128e-06 +M316.22T298 316.219508052735 316.216210688026 316.219609920914 297.53068162652 294.520315716236 299.459240351947 3 3 0 [M+H]+ 315.215 96 36.7950115103306 -27.2652649720199 0.00132406658186923 +M316.22T274 316.2196386646 316.216340564143 316.219751023234 274.385867546911 270.793272173419 276.322645801354 3 3 0 1371 26.6390649822707 -76.7449424739587 0.000112924890037114 +M316.219T161 316.219173972345 316.215934307219 316.220337150183 161.448406930054 154.423523324949 181.932536632311 32 3 25 4 42.2053588338909 -4.59639935101367 0.0442024734012558 +M316.376T157 316.375895237997 316.373771156372 316.376243569521 156.816225595547 155.127210634535 161.243732564651 3 3 0 896 270.464901738433 -4.5808397889856 0.0444923169096163 +M316.994T62 316.993894160217 316.986953144929 316.994739772542 61.6694983299097 35.1215560091358 100.379153186065 76 3 25 [2M+H]+ 157.993 424 2.44416894299376 -2.95958847395445 0.0646953349545929 +M317.001T42 317.000528421082 316.995043533286 317.002195172239 42.4724157659402 39.5622736492881 46.5114206569107 16 0 16 [99][M]+ 370 6.01170969129782 -6.44866218454899 0.0180250091305427 +M317.11T535 317.109786053724 317.108189805106 317.110806786151 535.278140817592 534.625581355559 535.612327850588 27 0 27 47 44.1083636769049 7.43849386718247 6.51123630568406e-08 +M317.13T161 317.130073732124 317.125397354118 317.13118692281 160.896287711754 153.940354544076 177.745041374212 29 0 24 [M+Na]+ 294.135 4 4.728154476547 6.27094200697196 1.12979346522657e-06 +M317.15T59 317.149958551628 317.148107533975 317.150618601402 58.8141156604361 58.2687967255485 59.7092496782648 15 0 15 [98][M+1]+ 423 2.46710779874355 3.91416742847684 0.00165224249036289 +M317.223T159 317.223112949303 317.219643903886 317.223290610997 159.370835958949 154.423523324949 177.610340947126 6 3 0 897 30.8206096791302 -5.88120710793394 0.0277015614140073 +M317.223T299 317.223112105063 317.222615599142 317.223608610984 299.175092209112 298.210927287062 300.139257131161 2 2 0 1281 10.8388907142776 -7.16296597127124 0.0187798432103317 +M317.277T967 317.277192619972 317.275096685756 317.277377214228 967.202677233966 967.138036801013 968.277127421744 3 3 0 1319 6.52667035704118 -16.8447095928404 0.00324726724463575 +M317.947T1388 317.947300384199 317.94649622261 317.954247985633 1388.19194094691 1386.69413094262 1400.00285347273 36 3 27 [M+Na]+ 294.957 44 1.00538017743318 0.0505670820095506 0.963795801637354 +M317.967T1402 317.967007764226 317.961099856752 317.967838481546 1401.87640343358 1399.71248076447 1406.75119564861 4 2 2 849 1.0369916212346 -0.609047713098514 0.574571249067306 +M317.996T37 317.9959840088 317.99324392905 317.996548776976 37.1565339081869 36.7078101321514 37.3433460410693 3 3 0 [99][M+1]+ 1 5.0092450693836 -4.66155558368798 0.0389427128093871 +M318.225T157 318.224892940258 318.221548260998 318.225106578664 156.816225595547 154.446906256864 161.243732564651 3 3 0 898 2.77979826979952 -3.7615742716936 0.0387579341018132 +M318.287T827 318.287193033526 318.284327271788 318.287552581937 826.817270930548 807.05146542214 857.674232858253 35 2 23 182 1.08925688560882 -0.253988258585876 0.821027853766561 +M319T47 319.000060134147 318.995446196217 319.001568155105 46.7817280334133 44.1937547473426 48.9177970207188 4 2 2 [M+H]+ 317.994 [M+H]+ 317.994 55 1.53810586521443 -1.83465107421232 0.195063787539774 +M320.17T153 320.17018613491 320.166843914636 320.170416519806 153.060070231744 152.742392582321 153.086297512213 3 3 0 1289 80.6069943580711 -7.9712420072083 0.0153707666927181 +M321.072T812 321.072450404279 321.070959302176 321.072974963196 811.85214157731 811.428278648823 812.802704519368 27 0 27 [M+K]+ 282.112 60 9.92709883720862 31.0427092803359 0 +M322.063T104 322.062848093762 322.06096410041 322.063329770331 104.223122146638 103.812768742101 104.969681999716 21 0 21 [M+K]+ 283.099 87 85.958870454625 7.56210224366573 4.98720784669615e-08 +M322.168T153 322.167938564046 322.164574048852 322.168008816832 153.422034573915 153.060070231744 153.766601882803 3 3 0 1290 39.2160283818279 -6.34973835120907 0.0234477606474854 +M322.997T36 322.997198909317 322.994217083092 322.998001668176 35.946560092378 35.1523353669815 36.2880344730385 23 0 23 371 5.24487080481616 23.5004951795542 2.00487263424254e-05 +M323.097T746 323.096961067427 323.095459965014 323.097401543728 745.54019030351 744.935898599889 745.793797080589 14 0 14 [M+Na]+ 300.108 23 74.8632894444376 3.55557674411898 0.00147067044118421 +M323.097T364 323.09691273181 323.094111946353 323.097096022037 363.725941582351 363.537157061043 364.035744267149 3 3 0 [M+K]+ 284.134 194 4.96583930636648 -6.57876327204324 0.0217620894335431 +M323.12T117 323.120241709179 323.118158916691 323.122324501668 116.546249423891 116.332880132685 116.759618715098 2 2 0 689 80.0818590096542 -4.72069120563847 0.0420393486916786 +M323.133T1017 323.132726970368 323.128788555852 323.134311091769 1016.70397822154 1016.30195736578 1017.2124771849 17 3 14 529 2.6555743141231 -1.02992172482303 0.410424218977289 +M323.169T1000 323.168818163366 323.166222286671 323.169658023382 1000.16956501991 999.769151051417 1005.60046927975 22 1 21 1000 3.00092466163519 4.25761195199742 0.000284289616443445 +M323.192T984 323.191503853995 323.189533759278 323.193473948712 983.715803374517 983.532941599959 983.898665149075 2 2 0 1039 3.46091206257704 -35.7110361958338 6.93236179571954e-09 +M324.15T951 324.150090290207 324.147399693969 324.15079662156 951.16835307632 950.557281658475 952.78819203432 30 3 27 186 2.98144837856708 -21.0545204195851 2.32470196221968e-05 +M324.298T1145 324.297785754487 324.296794777678 324.298287318815 1145.25594687771 1144.03560407839 1147.2763435813 27 0 27 120 Inf 3.93220882339425 0.00055777892063924 +M325.119T42 325.119275863716 325.115975619731 325.120648305341 42.067145241145 41.468509749347 42.4702740859138 20 0 20 372 42.161673858164 8.60658288388772 4.16983048090458e-09 +M325.243T1004 325.243422628839 325.240586572815 325.243695610128 1003.95662161211 1003.87309457122 1004.23481142933 3 3 0 [100][M]+ 50 10.3564893800939 -12.8679988586936 0.00591194153577845 +M325.242T925 325.24188725062 325.241559190558 325.242215310682 925.485740018164 924.90552447062 926.065955565708 2 2 0 861 5.21354017953166 -17.0750750028472 0.00218178462957574 +M325.995T60 325.994999607544 325.994439648885 325.997215628206 59.5298400510191 58.7700886225633 60.3918035522112 27 0 25 [M+K]+ 287.037 423 28.9368489839832 6.29084133396469 1.15108287657151e-06 +M326.247T1004 326.246628412407 326.243995746801 326.247255837828 1003.95662161211 1003.87309457122 1004.23481142933 3 3 0 [100][M+1]+ 50 8.46787594839632 -8.48975552173503 0.0133665638705951 +M326.387T1037 326.386793156319 326.383583565882 326.387531410683 1036.76250949541 1024.69127564713 1050.19026080716 29 1 23 551 3.49569415651865 2.95178178299735 0.00872844216023028 +M327.087T1026 327.086773390062 327.083820171096 327.087315979022 1025.97222842641 1025.60390035906 1026.37444661954 30 3 27 [M+H]+ 326.08 522 1.45085916647564 -1.10892527520642 0.37927448505614 +M327.09T812 327.089588783066 327.088124737398 327.090051293196 811.678576302224 811.124800739146 813.483620912714 27 0 27 [M+2Na-H]+ 282.112 60 5.5664249625367 53.5766466582203 0 +M327.127T116 327.126946351191 327.12507894711 327.127517927731 115.537157122939 114.497993602145 116.100671067769 26 0 26 [101][M]+ [M+Na]+ 304.134 6 64.3355920789628 7.06820336849128 1.65710612787251e-07 +M327.161T1067 327.1607828662 327.15874187768 327.16145870517 1067.25021659311 1066.83653525817 1067.67827181028 28 1 27 450 13.700631330678 4.03618505272397 0.00040019079744491 +M327.905T1395 327.904802637805 327.903658902991 327.909175912994 1395.30863019151 1383.56560883715 1425.06753862923 32 2 26 [M+K]+ 288.945 19 1.23169823069573 0.80480150979104 0.494709830236166 +M328.034T730 328.034240217455 328.03283143025 328.034934150042 730.378974899878 729.915928632054 730.848648314499 16 0 16 1192 17.2813262368004 5.35396651113329 1.25332551617063e-05 +M328.046T82 328.046418573675 328.044814396488 328.053553091873 81.7913149475615 73.7834823037467 88.5858428012206 38 0 24 904 23.1728814610911 4.72513815616503 6.92736808844963e-05 +M328.13T115 328.129910477342 328.127992447637 328.130773462366 115.48693975643 114.815069093763 116.100671067769 20 0 20 [101][M+1]+ 6 73.592747892455 6.92665161162147 2.34232054197037e-07 +M328.148T146 328.147741864549 328.145884761132 328.14832631146 145.911128395414 137.852490796498 147.87915828452 49 0 27 [102][M]+ [M+H]+ 327.141 36 644.840723208289 4.35376416137658 0.000184941604542743 +M329.065T66 329.064874227509 329.064269082389 329.066362998333 65.8800746558319 64.987651753089 66.670651898035 26 0 26 [2M+Na]+ 153.046 2 273.970085135719 11.3250679580926 1.47901690894514e-11 +M329.151T146 329.150514268578 329.14860218314 329.151031633438 145.947259667802 139.492068207876 147.772842836932 25 0 16 [102][M+1]+ 36 33.0822680819807 4.65342382223281 8.37947703771214e-05 +M329.943T1384 329.943395950065 329.936676148729 329.944540411199 1384.41317364696 1382.86552181602 1413.84500740429 33 3 27 62 1.18375263253296 0.763203521444658 0.5106623719269 +M330.975T47 330.974722625265 330.973349125852 330.975836097794 47.2004725620851 46.6521406048328 47.5351938447634 18 0 18 [M+Na+NaCOOH]+ 239.998 55 9.33028810545244 4.03860003808445 0.000422337946712315 +M331.947T1384 331.947025777324 331.945482528451 331.954592002241 1383.79638269817 1379.84838067985 1403.70391271561 43 2 24 [M+K+NH3]+ 275.958 [M+K]+ 292.982 62 1.12291405085017 0.943051701910872 0.40507126134878 +M331.959T61 331.958993689607 331.95500656815 331.964263414912 61.2371800199769 35.2115845315306 79.5823702336318 49 3 20 424 1.6287133902549 -2.54691867736802 0.074256953177674 +M331.957T1410 331.957211622204 331.954827838804 331.957932097809 1409.7089443048 1395.0990799086 1426.4628871293 30 3 21 [M+Na]+ 308.971 45 1.27584278039168 0.913631751893868 0.434834635507007 +M333.155T1066 333.15523241134 333.152387180193 333.155630977039 1066.26056585294 1065.96729263213 1066.5788411406 7 2 5 480 9.87633223211045 -1.3365600000821 0.312879924481022 +M334.158T162 334.158246379884 334.155890892626 334.158994449778 161.50930476819 155.022378155484 178.751452743462 54 0 27 [103][M]+ [M+Na+NH3]+ 294.135 4 312.206976485902 11.0750663755832 2.42525999283316e-11 +M334.186T295 334.185918282847 334.182558335268 334.186308253345 295.37687165445 287.059997122325 304.900947866633 5 3 0 137 10.3289634712056 -3.73051417798116 0.0648662124081198 +M334.186T328 334.18601395665 334.182788812624 334.186269107139 328.015530016119 327.7727592564 328.830861352821 3 3 0 1345 9.35976938739944 -65.4895774596405 7.03056210011876e-05 +M334.185T387 334.185263778049 334.182601002852 334.185827930381 386.673730169319 382.015010675075 388.527172566046 3 3 0 1341 9.23533850975258 -23.5881308342439 0.00135255619897889 +M334.987T50 334.98711915541 334.982926706158 334.988116487712 50.3134153926034 49.6378757829671 50.9211666991102 28 3 25 [M+2K-H]+ 258.076 55 3.67361253871984 3.98705502046768 0.000477483699589332 +M335.111T973 335.110822528736 335.108315593815 335.111113516778 972.647054870776 972.577746934149 973.039562245847 3 3 0 1309 28.5975066886478 -7.69880031047725 0.0164029509967534 +M335.134T1056 335.134124937795 335.131884213591 335.134772927438 1056.38033826337 1055.55895711824 1057.32426154922 12 3 9 481 2.62953207274915 -0.881365913194737 0.468889349117404 +M335.161T161 335.161283968785 335.159155624272 335.161993562916 161.098622014648 154.346352357475 178.751452743462 43 0 27 [103][M+1]+ 4 54.0645903418402 10.8138454624579 3.96567223504007e-11 +M335.967T55 335.96729040678 335.962863821048 335.967990689394 54.6317059438319 36.4752134531536 96.4903861224106 18 3 9 840 4.96544998176873 -3.05163841192374 0.0693315286606748 +M335.979T1411 335.979325786183 335.976366443748 335.979863703534 1410.85745705862 1396.02277454472 1455.6163679246 14 3 6 45 1.72298209216868 1.97411070956347 0.115950323745028 +M336.175T412 336.174955273984 336.173226456874 336.175495317982 411.862718927743 410.834962926674 422.926944710033 28 0 27 1316 107.489861491896 4.69643488374474 7.48813106350443e-05 +M336.181T295 336.18084435144 336.180377406033 336.183909860284 295.37687165445 287.059997122325 301.304832805061 3 2 0 1332 8.72970989291266 -11.1494138478773 0.00778072818268938 +M337.114T983 337.113899955765 337.112310016686 337.11531627324 983.075298133873 982.73787241813 984.762413955466 10 3 7 41 2.26050708471009 -3.52264718200503 0.038067670408934 +M337.149T996 337.149074861101 337.146473542447 337.14946626804 996.385619902735 996.09863705489 996.466133746643 3 3 0 1001 2.71240650977618 -2.55890342397386 0.120038005437259 +M337.18T40 337.179632009404 337.178110071506 337.18065443735 39.6752379656487 39.4164209930302 40.1015522873984 14 0 14 373 34.8584369675555 8.75488711898525 2.80117218309783e-09 +M337.282T1011 337.28224846345 337.280731286532 337.282863944319 1010.88967684723 1009.9931106819 1039.86280059424 27 0 25 30 13.3092176794069 11.5348212846119 8.40394420720258e-12 +M337.975T10 337.975022702443 337.971163085297 337.975747099465 9.50842482425334 3.98106197968781 30.5160094867608 52 3 26 1100 1.18293569777192 1.95564679666118 0.0910086014414926 +M337.975T1436 337.97514001142 337.973124781862 337.975790848664 1435.6766135601 1426.81196730874 1464.51581990532 32 3 25 1258 1.12380456623904 -0.464246355688404 0.683770240910643 +M337.975T1410 337.975141971894 337.973019109441 337.975528477574 1410.15899543706 1407.30795233638 1422.14533563407 28 3 24 45 1.15822059202242 2.04858467193547 0.124276770243826 +M337.975T1385 337.97485829713 337.972709311574 337.975332954602 1384.89755846846 1383.3096913419 1390.9321382958 26 3 23 62 1.07569719044269 0.621457343974981 0.595636958397581 +M337.975T1493 337.975035557859 337.973271079695 337.975289544725 1493.2228871293 1489.9015835705 1498.5673741289 19 3 16 1073 1.29285620597885 -2.10939774909361 0.0477434166276092 +M338.202T159 338.20205574954 338.198582976073 338.202192554246 158.694434167002 154.423523324949 174.866131459245 6 3 0 899 37.7909498144925 -3.93831125152709 0.058792229417735 +M338.976T63 338.976220029634 338.972417360176 338.977809087424 63.050509742074 36.2069108911799 96.6536327102244 88 3 24 [2M+Na]+ 157.993 424 2.17254239128127 -4.91968554624702 0.000274430321078434 +M338.976T109 338.976302261603 338.972174739388 338.977053130344 108.530580699788 99.7006688928185 147.162075705513 28 2 16 [M+Na]+ 315.987 69 1.47442686276405 -0.779323688331467 0.492850999754632 +M339.048T131 339.048254153187 339.043196337 339.048687326934 131.35294839729 128.928715358348 133.253868467799 16 0 16 7 1.38233032067676 -0.688801189005688 0.551176695862559 +M339.07T42 339.069564791707 339.068445083072 339.073192771376 41.5033260786824 40.8502777707722 43.8279802770798 23 0 23 374 6.42026770056749 5.97513360892634 2.29300755649753e-06 +M339.113T161 339.113228914394 339.111047269304 339.114043477987 160.918098766913 153.669435862073 179.20094354877 52 0 26 [M+2Na-H]+ 294.135 4 49.3123102613334 12.0029608015668 4.16555678839359e-12 +M339.124T875 339.123732227291 339.121595424759 339.124205885448 874.542178656369 874.181450698409 874.758421515671 3 3 0 771 6.4645528997227 -26.0742481412663 0.00139663637681542 +M339.163T851 339.16286261594 339.161357361268 339.163625236063 851.183230773419 850.894094888829 851.640481303128 27 0 27 198 8.17751820860005 36.6283877233185 0 +M339.261T967 339.260520558689 339.257383553832 339.260645427877 967.202677233966 967.138036801013 968.277127421744 3 3 0 1320 2.3011650399235 -2.8880662675442 0.00745860636610818 +M339.979T52 339.9790011173 339.974875614472 339.980631953017 52.2108910993015 37.3099127457171 55.612765572094 12 3 6 55 3.61408629274641 -5.30504127417489 0.02215269517328 +M340.205T434 340.204976734754 340.201561800916 340.205673924746 434.325269142614 433.818818726548 434.878965559812 31 3 27 51 1.1316607112633 -2.16111579020012 0.148902994868223 +M340.268T329 340.267566795993 340.263785196068 340.268104427679 329.251736727864 328.674466690458 329.706706465832 20 3 17 1346 1.02123719580689 0.521018436331815 0.639242734967105 +M340.974T38 340.973639586431 340.971202471954 340.976076700907 38.2709842366721 38.021784472386 38.5201840009583 2 2 0 [M+H]+ 339.966 [2M+3H]3+ 509.949 1 2.23222599961986 -4.19508894035102 0.0438967541187691 +M341.074T143 341.074354234267 341.072032233081 341.075722356241 143.008076616398 140.536479378063 150.498218811739 24 0 14 987 171.629815995546 2.74916761138263 0.0107207437621573 +M341.084T42 341.08442264164 341.082287511854 341.085609716923 42.1499247210101 41.7267569487873 42.7733268527857 15 0 15 375 45.111036421945 3.08811147828947 0.00474274826805088 +M341.093T161 341.092703129651 341.090244819442 341.094743916042 160.758643146339 158.658808600014 163.82267056026 23 0 23 4 17.8369890656868 9.71157963877839 3.38518546527666e-10 +M341.215T1035 341.215333552969 341.213867017916 341.216322395815 1035.07406555517 1034.57811560872 1049.39414607121 26 0 24 567 18.1517945292566 4.8543190080295 4.80130699302972e-05 +M343.054T66 343.053725648737 343.051809955534 343.054142466183 65.8704201094927 64.987651753089 82.9166354209689 29 0 27 [104][M]+ [M+Na]+ 320.064 2 826.360965957532 6.55821434672155 5.92571513635676e-07 +M343.304T823 343.303792105359 343.300796505565 343.30429617997 823.43014566168 820.279207328138 824.045588948113 30 3 27 [M+H]+ 342.297 154 1.76666980664203 5.81459419779914 4.7551839972293e-06 +M344.057T66 344.056601019917 344.05485191823 344.056993150706 65.8917016119827 64.987651753089 67.1164581178714 26 0 26 [104][M+1]+ 2 161.101262503466 6.49287852867458 6.98702372403659e-07 +M344.117T1374 344.117068216009 344.116067191501 344.117620759983 1374.4572860474 1373.75537616358 1374.89628729276 21 1 20 32 3.46473709951989 4.55534462054577 0.0147807264506867 +M344.141T68 344.141367962512 344.136604234322 344.14239654151 67.7275689714372 66.5172303871202 77.2703819332109 23 0 17 802 124.559497935462 6.01777044554755 2.34974287161016e-06 +M344.992T1374 344.992267046948 344.989896186216 344.993417489897 1373.97213463496 1373.09972776789 1390.5244625724 47 3 27 32 1.29679956629657 2.3663947894682 0.0253017879625066 +M344.994T53 344.994010371428 344.990887518985 344.995325306683 52.8773538638479 45.4965700040436 53.8884387502639 10 2 8 [M+H+CF3COOH]+ 209.996 18 1.06014209214141 -0.475140102983591 0.663187243118438 +M345.022T191 345.021719902387 345.016326620705 345.024715441513 191.461549067562 161.243732564651 236.037151809542 19 2 10 900 1.30687836483112 0.61838505610697 0.548942015726249 +M345.058T66 345.057674543028 345.056869442642 345.058484526346 65.8461991466642 65.1902185081793 66.3811828715689 16 0 16 [104][M+2]+ 2 379.571829222486 7.40506431640851 7.2911960469213e-08 +M346.137T372 346.136925343639 346.135523771421 346.137553390642 372.397152213784 371.787756095628 392.766950890882 31 0 27 [M+H]+ 345.13 135 441.684223607725 7.05299586389476 1.72402745191036e-07 +M347.004T55 347.004471003531 347.000673939399 347.00879889804 55.0305292193627 43.3691379895929 55.6652699370759 14 2 11 431 1.12527155456587 0.423376160018925 0.675306554621983 +M347.046T66 347.045564248951 347.041122122263 347.04833230199 66.3574139263708 65.321441448337 75.4986201653264 16 2 14 2 6.19161738863116 -1.61289249702559 0.247492722085279 +M347.184T1041 347.183531666924 347.182002789562 347.185060544287 1041.24662321202 1041.13939997538 1041.35384644865 2 2 0 568 12.8703281269727 -3.43324693636722 0.0751629722767446 +M347.933T1409 347.933043382389 347.929942689909 347.933956618539 1409.24867626184 1406.65975188434 1424.3754142702 30 3 26 [M+K]+ 308.971 45 1.3444693476234 -0.628807343031383 0.591121642773233 +M348.079T51 348.07936725738 348.075310598174 348.080098728893 51.0331209103644 50.477409378698 58.0680775554587 23 0 21 [M+Na]+ 325.088 55 601.626804286958 6.22236675818115 1.38955522910322e-06 +M349.022T44 349.021807143166 349.016805147492 349.023539876387 43.5305490426878 41.92780207457 44.2646889300785 20 3 17 [M+K]+ 310.058 55 1.84454352477296 2.24084073316498 0.0336694034691285 +M349.069T1026 349.069468238325 349.066294052422 349.069937418119 1026.02123402773 1025.60390035906 1026.47563665211 30 3 27 [105][M]+ [M+Na]+ 326.08 522 1.36506653468549 -0.87359667430131 0.468032016522918 +M349.145T1010 349.144757536721 349.14277054225 349.146744531191 1009.88860290513 1009.67107863155 1010.10612717872 2 2 0 1132 108.696977650876 -3.84580464381777 0.0614374770770367 +M349.15T979 349.150125499037 349.147287035252 349.151215766584 979.413793613637 964.418474859239 979.829166419597 4 3 0 821 8.96869098352949 -7.744037523523 0.0160446978675259 +M350.073T1026 350.072660548869 350.069475374576 350.073175272974 1026.04307783577 1025.60390035906 1026.70974170809 30 3 27 [105][M+1]+ 522 1.37765328888177 -0.796299070397491 0.504164670593328 +M351.011T1039 351.010861935358 351.008202389807 351.01144113805 1038.92724964883 1003.63736918438 1085.2796526343 138 2 26 537 6.50174227425502 -1.9940725213768 0.18389357721802 +M351.01T1373 351.010205755576 351.005861248244 351.010727268286 1373.36778688795 1371.49182797829 1374.48691290555 30 3 27 [106][M]+ [2M+Na]+ 164.011 32 1.07955521097319 -0.590116280133713 0.604899211433796 +M351.011T986 351.0106504538 351.008678208843 351.01103509334 985.642218503612 957.336820967884 995.73226687053 40 0 23 1026 1.00887826765049 0.0420453240894133 0.966763026783542 +M351.01T804 351.010105296173 351.009848080685 351.010362850868 803.916036979146 779.660131383946 830.191852957837 23 2 14 [M+K]+ 312.047 [M+Na]+ 328.021 61 1.61356311253841 -1.95089199805601 0.184744885978417 +M351.114T235 351.113579175655 351.111645893929 351.114112818556 235.340410564486 230.573637769856 254.790151372455 23 0 22 1144 298.171110475118 7.90152577754251 2.22902341029396e-08 +M351.166T877 351.165833825122 351.163213166192 351.165900963538 876.89517875607 876.111356235401 877.284206729183 3 3 0 772 6.63774082361869 -11.9903229029604 0.00684255767411646 +M352.013T1373 352.013253524857 352.008988218623 352.013783501506 1373.35700715385 1371.03434471191 1374.18000478518 29 3 26 [106][M+1]+ 32 1.18193104625813 -1.61789625882401 0.214110490306415 +M353.132T268 353.132010512587 353.124861093279 353.132592210694 267.896508941301 260.232502517406 277.117330842957 33 0 27 [107][M]+ [M+H]+ 352.125 102 2977.63177763512 16.6369320388422 2.22044604925031e-15 +M353.132T289 353.131806541284 353.129933453836 353.132476337184 289.468520399641 284.027368723987 299.65137963641 29 0 24 115 2320.97788875685 15.390389481307 1.4210854715202e-14 +M353.132T313 353.131910556573 353.130143405978 353.132298261777 312.765662860475 301.023900172834 313.25897120425 27 0 26 [108][M]+ 88 256.069370181186 16.2792546611234 3.77475828372553e-15 +M353.177T1079 353.176986891541 353.175449026755 353.177342922064 1079.04248422784 1078.7520828565 1079.51279530346 15 0 15 703 52.7230366489105 3.51069330781041 0.00164125089090628 +M353.95T1449 353.949517547489 353.947505308008 353.950273220371 1448.81811393335 1424.12716498025 1491.65817798872 40 3 13 1372 1.43514906180884 -1.02161749151448 0.404426787577121 +M353.95T1411 353.949768170651 353.947419308216 353.950155959992 1411.37581990532 1408.61590146746 1416.3396840455 15 3 12 [M+2Na-H]+ 308.971 45 1.661314813785 5.00499580020752 2.89330156073575e-05 +M354.091T66 354.090854319272 354.09053876287 354.092495018331 65.6793816605082 64.987651753089 66.5928669678509 14 0 14 [M+Na]+ 331.098 2 595.422686491628 8.74756565234862 3.17114401404694e-09 +M354.115T41 354.115262537422 354.113290529533 354.116383137523 41.4842825564889 41.141866224785 41.7837440863734 16 0 16 [109][M]2+ 376 132.390873155616 9.12126604432057 1.38662170634518e-09 +M354.134T313 354.133777425862 354.128340066517 354.134805909973 312.551446226413 286.955127486281 313.25897120425 37 0 26 [108][M+1]+ 88 534.090172637453 15.1326172838193 2.04281036531029e-14 +M354.135T268 354.134687612327 354.128000011252 354.13480078941 267.896508941301 264.252980312542 275.723829982143 15 0 14 [107][M+1]+ 102 Inf 17.8918177677295 4.44089209850063e-16 +M354.135T269 354.13504584288 354.134828365054 354.135419178258 269.123451518408 263.413770117956 312.497944844164 23 0 15 102 Inf 18.7693459354899 0 +M354.177T159 354.176916852081 354.173077823572 354.177242720043 159.029979080099 154.446906256864 161.252952296078 4 3 0 901 31.3505493709783 -4.51268804897458 0.0457482565548217 +M354.294T984 354.294273332786 354.291032716671 354.294865257209 984.026349384011 983.564001147963 985.253956744642 23 3 20 [M+H+NH3]+ 336.26 41 1.17251009412533 -2.82952518766448 0.0554162967009764 +M354.613T41 354.612983139107 354.610324638879 354.616050774116 41.387641440949 40.7639234021427 41.7643851335541 14 0 14 [109][M+1]2+ 377 Inf 9.31499778176899 9.09558650619147e-10 +M354.948T1383 354.948323956886 354.941103933424 354.948927050219 1382.84589612152 1380.99910928275 1402.01451962073 20 1 18 [2M+K]+ 157.993 62 1.89436543786426 2.76374034854644 0.0100015656419532 +M354.95T38 354.950058482555 354.946483921319 354.950775146484 37.5224341459781 36.731720161626 47.6455927419985 18 3 12 [M+K]+ 315.985 1 4.07260142670706 -2.96118256575669 0.0895341618166445 +M354.95T108 354.949942032807 354.94588536507 354.950737459524 108.242795418911 91.8826878509432 109.683313946693 9 2 6 [M+K]+ 315.987 69 4.19891011159499 -1.7860596510155 0.214848038817027 +M354.95T131 354.95010739455 354.946226815561 354.951025729145 130.784168785862 124.699141099778 148.457423772841 10 2 3 697 1.34458398410278 -0.769992843552534 0.496861023875088 +M355.088T165 355.087747738654 355.085633756233 355.088630718446 164.836665222096 152.463297259411 178.520005651894 56 0 27 519 46.677708829555 10.8116216227013 3.85282916681717e-11 +M356.105T42 356.104716385096 356.100642437949 356.106285042954 42.0229504541062 41.4057282216353 42.7733268527857 17 0 17 378 70.7313591612179 8.85685352182354 2.32351560214283e-09 +M357.07T59 357.069537910416 357.067603635786 357.069928842706 59.0478108100486 58.4643089099317 59.3654022289111 24 0 24 [M+H]+ 356.059 423 1452.80423112599 9.74175348189257 3.64193564195148e-10 +M357.179T914 357.17868027886 357.176111982872 357.179078766868 913.6046901547 913.385329602385 913.933688273438 3 3 0 1240 12.7304547249215 -9.54349433547896 0.0107130150836947 +M357.224T371 357.223558269404 357.219776684568 357.223853799662 371.022555028424 363.725941582351 376.277259838636 3 3 0 184 12.8721190951536 -12.284738302925 0.00645659584679459 +M357.224T432 357.223596786512 357.220057989503 357.22432050321 431.541281780074 413.84705015954 440.237744052178 3 3 0 161 17.2914663993461 -6.61888514325171 0.022050003840913 +M357.27T1043 357.270267966127 357.267461080037 357.270985801036 1043.00954588866 1042.38170516124 1044.2604967145 20 3 17 550 1.72761371694376 -1.75227506736808 0.210479145750126 +M358.019T66 358.018750197561 358.016826163944 358.019524484133 65.9362346350581 64.987651753089 67.1164581178714 23 0 23 2 8.40291085313192 10.3889030759235 7.64801555419581e-11 +M358.158T161 358.158339185816 358.155897101848 358.159028978582 161.252286700812 155.976738862835 179.20094354877 31 0 27 [M+H]+ 357.152 4 249.006509258735 12.5341096272296 1.58317803311547e-12 +M358.969T1379 358.968645722597 358.962991190276 358.969374675241 1379.38364653307 1378.31547692494 1380.31002646537 29 3 26 [3M+2Na]2+ 223.99 62 1.37990688967541 -3.74895135013375 0.0324666447296307 +M359.025T66 359.02533058184 359.023880980426 359.025775048536 65.9877719561097 64.987651753089 66.5928669678509 26 0 26 [M+K]+ 320.064 2 5.25724018229145 8.53401373849099 3.83162812589433e-09 +M359.172T949 359.172367832684 359.169758484915 359.17304747292 949.157177799119 948.838868528722 949.482770763273 3 3 0 222 6.66909260976579 -23.4864824298317 0.00146423617118097 +M359.249T984 359.249380483997 359.245935343073 359.250228885616 984.087289890072 983.438663798711 986.064677039791 23 3 20 [M+Na]+ 336.26 41 1.0668510803597 -0.665291654527038 0.563499532678871 +M359.968T1374 359.967513329769 359.965760538874 359.968914936883 1373.66590160412 1372.77982607885 1374.63986975552 23 3 20 [2M+H+K]2+ 339.983 32 1.18032266798444 1.24336571622406 0.320898919965237 +M360.138T57 360.138357575799 360.13674161359 360.13906982494 57.0284980646074 56.2072932035782 57.5835785874056 26 0 26 [110][M]+ 434 6969.12035422366 5.79555290631068 4.17820518583412e-06 +M360.159T42 360.158634733723 360.15669983412 360.159198920031 42.0229504541062 41.468509749347 42.4529648353191 27 0 27 [111][M]+ 379 192.616097532236 8.21190307676231 1.07631186185841e-08 +M360.966T1380 360.965569095086 360.963674310338 360.966050267056 1379.84838067985 1378.23922551517 1389.17209775047 51 3 27 [112][M]+ [2M+2Na-H]+ 157.993 62 1.12560292371056 -4.66007432854587 0.000569347620914318 +M361.047T618 361.047485242497 361.045826204957 361.04793186714 617.799437685731 617.154683907883 618.657019037474 3 3 0 106 2.55043347596763 35.2744037789913 7.37020822150214e-09 +M361.058T117 361.057557624827 361.053100795963 361.05792815897 116.641372520525 116.233284013787 117.146826411528 5 3 2 [113][M]+ 690 36.242355405419 -1.87646784279864 0.201382005770449 +M361.141T57 361.1412194007 361.140188484361 361.141692387883 56.9907907485749 56.4067826273713 57.579178915074 16 0 16 [110][M+1]+ 433 1456.37708767888 5.83712299736367 3.75068098579234e-06 +M361.161T42 361.161325544168 361.159264459408 361.161925054186 42.0083329413487 41.468509749347 42.4529648353191 21 0 21 [111][M+1]+ 380 1194.45102018751 8.87415850333996 2.39572583993208e-09 +M361.164T1048 361.163588833673 361.160571227319 361.16412184591 1048.22618115559 1047.97195252371 1048.50430391117 4 3 1 528 10.9265256399949 -2.69287539765252 0.114227121301991 +M361.968T1379 361.967868224007 361.965127298408 361.968534256688 1379.44082861535 1378.55880757825 1380.29912414107 30 3 27 [112][M+1]+ 62 1.0514332853556 -1.41558649382893 0.221278486615022 +M362.031T132 362.031486029965 362.030789046435 362.032427441769 131.51675405798 128.928715358348 135.453360448474 15 0 14 698 31.3227793716807 2.59098544008375 0.0154867524124624 +M362.058T116 362.057795958819 362.055128378383 362.060463539254 116.496451364443 116.233284013787 116.759618715098 2 2 0 [113][M+1]+ 691 27.0511462445041 -1.74055118490874 0.223846461240908 +M362.106T42 362.1060722094 362.10465229511 362.10846436653 42.0742775644166 41.468509749347 42.4529648353191 26 0 25 [114][M]2+ 381 2594.40590799995 8.00264440047136 1.75792853607248e-08 +M362.223T154 362.223239961782 362.221389699467 362.225090224096 153.932808297259 153.086297512213 154.779319082304 2 2 0 1291 18.7951441504252 -5.95548472307298 0.0268564320127966 +M362.25T329 362.250103757974 362.246142182429 362.250946483106 329.130703943871 328.550237696032 329.773117582489 24 2 22 147 1.05686081819875 -1.06436332375843 0.365787065833695 +M362.607T42 362.607135647199 362.605796931704 362.607963132389 42.1279820614616 41.3489213740382 42.4702740859138 21 0 21 [114][M+1]2+ 382 Inf 8.05688321159206 1.54845500865974e-08 +M362.966T1374 362.965861579514 362.963451566179 362.966498623382 1374.2808473939 1373.80287843811 1388.02057358808 31 3 27 [115][M]+ [M+Na]+ 339.983 32 1.06729482206741 -1.04023109437086 0.392330027548417 +M362.966T926 362.966308514718 362.964585859727 362.967544518551 925.66810886487 896.03621693148 934.738991325323 22 2 14 20 1.12974160828842 -0.388721708176877 0.731944098181729 +M362.966T976 362.966459590053 362.964310600627 362.967089949776 975.732907229186 966.217288059874 1006.53748960072 22 1 16 1040 1.78373115826569 -1.42702554743946 0.281865614152339 +M363.116T41 363.11640257807 363.110698319613 363.119288958867 41.3695546602628 40.7845948778131 43.77224743287 17 0 17 [114][M+2]2+ 383 Inf 12.1398403739034 3.24096305348576e-12 +M363.166T985 363.16624964366 363.163528727292 363.166547265318 985.387250657591 978.017727739771 992.708998888417 6 3 0 1041 11.7834821682167 -8.15936599520603 0.014419094030155 +M363.166T950 363.165715834676 363.162830998416 363.166302898372 950.188262255016 950.165513805394 950.537676717024 3 3 0 1379 9.5953182593612 -18.737977850924 0.00272038262162244 +M363.166T1043 363.166310365011 363.163237210368 363.166420625396 1042.505079367 1042.21687585771 1042.70583394139 3 3 0 547 21.755251498889 -2.05495917788466 0.176162508853525 +M363.966T1374 363.965631716913 363.963304333913 363.9671909865 1373.80738518769 1372.98987139431 1375.51217191625 22 2 20 [115][M+1]+ 32 1.0735278730791 -0.819505641516013 0.463121192836304 +M364.146T161 364.145643034159 364.143342015987 364.146377157575 161.4173497785 159.966114410025 179.20094354877 38 0 27 [116][M]+ 4 292.085358784701 8.21655101757343 1.06806932187453e-08 +M364.935T1409 364.934519551265 364.933583421579 364.93516402688 1409.02520214111 1406.65975188434 1427.87500594217 22 0 21 [M+K]+ 325.973 [M+Na]+ 341.947 45 1.333018415359 1.37755289550602 0.291979073352349 +M364.962T1374 364.961645639048 364.959402002451 364.962288375385 1374.07723257203 1373.70233333333 1375.16394797962 30 3 27 [115][M+2]+ 32 1.10323892107631 -1.50299853517196 0.248354175268587 +M365.114T42 365.113805650997 365.111404700819 365.114697911602 42.0588343413638 41.0766651833473 67.5813160679647 29 0 26 [117][M]+ 384 60.6889234879715 12.0733819564443 3.53717055645575e-12 +M365.132T504 365.131838224108 365.129826432502 365.132356213395 504.241726189212 503.764701520596 506.108026823747 25 0 25 1195 98.3805265394471 11.7232582106571 6.93045620892008e-12 +M365.149T161 365.148978338076 365.146683339271 365.149683304085 160.815626344807 159.372516131232 163.332480761031 18 0 18 [116][M+1]+ 4 13.4075159371164 7.50951019147434 5.49838610197639e-08 +M365.182T956 365.181691983548 365.178911338899 365.181756465798 955.622795498508 955.597809371084 956.008108803162 3 3 0 [118][M]+ 193 10.3818712873065 -23.7184915915542 0.00167813329935984 +M365.286T823 365.286387979336 365.283074302417 365.286916480046 823.43014566168 820.279207328138 824.045588948113 30 3 27 [119][M]+ [M+Na]+ 342.297 154 1.88136565074794 9.15368008001512 7.02964797483219e-10 +M366.081T116 366.081074119959 366.078233087381 366.082261016863 115.744546409777 114.497993602145 124.699141099778 29 0 27 [120][M]+ [M+Na]+ 343.091 6 104.821939931851 5.12315478322273 2.42746756091705e-05 +M366.113T42 366.11344319995 366.111283128182 366.116470672343 42.2492498997663 41.7487036638163 43.4909701195722 21 0 21 [117][M+1]+ 385 45.3820317931548 13.8235040591561 1.62536650805123e-13 +M366.186T956 366.185655347099 366.185291427316 366.186019266883 955.950998426597 955.597809371084 956.304187482111 2 2 0 [118][M+1]+ 1381 7.25623758720938 -7.66990792275764 0.0164619932447603 +M366.289T823 366.289432723552 366.288392307617 366.290285138968 823.405305583145 820.279207328138 824.361992305694 22 0 22 [119][M+1]+ 154 1.61059819735119 6.83009616724749 2.94970144754103e-07 +M366.346T1024 366.346141975675 366.344606721779 366.347034490345 1024.25054229278 1013.41182855289 1025.61033817065 25 0 25 525 11.1594791876857 7.31904672255883 5.86222950182957e-08 +M366.98T1373 366.980255039927 366.976938895337 366.982269252184 1373.49899759113 1372.33054638479 1374.7203176411 30 3 27 [2M+K]+ 164.011 32 1.02194806517317 -0.243885635336276 0.823784577792942 +M366.984T874 366.983967359191 366.983222814016 366.984409538278 873.632555250879 846.614765468712 905.366748690048 56 0 16 766 1.16838797036251 1.44538497435185 0.160020232379791 +M366.984T968 366.984031861887 366.98328743827 366.984791797816 967.685380934602 944.1756041801 1005.65892710152 37 0 17 1321 1.07658364142882 -0.654747386339209 0.522901838482973 +M366.984T929 366.984028775739 366.983521870015 366.984624591966 928.517955014969 911.094681333368 931.717057177523 19 0 14 20 1.16381031943807 -2.54631007247066 0.01673156017579 +M367.03T35 367.029795617799 367.028381706546 367.030432561425 34.7579358153749 34.1910829828605 35.30440691879 16 0 16 386 77.9136576228155 7.02558662888648 1.84577595430113e-07 +M367.065T100 367.065319288389 367.063276883557 367.065990361911 100.469504080985 99.8021583009755 101.000095991846 24 0 24 90 565.832432476552 5.70893359707226 5.22923965373678e-06 +M367.078T254 367.077625243587 367.076254156919 367.078819860345 253.651299551654 249.041656627833 275.725735291127 18 0 16 778 141.66072457989 5.04420179586927 2.98904881281814e-05 +M367.084T116 367.083972863539 367.083346608138 367.084675159908 115.542847723486 114.497993602145 116.100671067769 17 0 17 [120][M+1]+ 692 5.43584591671033 4.1652129804009 0.000280141789878563 +M367.109T41 367.108804100728 367.10514332422 367.111583724136 40.8124909736209 40.5656037034849 42.0499247616499 20 0 20 [117][M+2]+ 387 48.9072324619747 13.5439922869387 2.41584530158434e-13 +M367.159T161 367.158920879991 367.156314817437 367.159793929903 161.14954229367 159.966114410025 179.20094354877 20 0 16 4 66.4381633672911 3.83442332976817 0.000718872786246161 +M368.119T372 368.119184721996 368.117606817775 368.120276274768 372.31547206102 372.023721837389 373.054094355333 15 0 15 [M+Na]+ 345.13 135 806.598833229821 6.6906732096787 4.24428252099318e-07 +M368.962T1374 368.962467317285 368.960563812544 368.963510193594 1373.90395299851 1373.12823538337 1374.4437090133 30 3 27 [2M+2Na-H]+ 161.991 [2M+2Na-H]+ 161.991 32 1.01175547192893 -0.0922193370087844 0.933796104307202 +M369.121T131 369.121081956356 369.118768461921 369.122046628654 131.485286783799 128.928715358348 134.994265251954 17 0 15 [2M+K]+ 165.082 7 144.079073202746 4.45492744635303 0.000141654975021055 +M369.172T962 369.172128264616 369.170340413118 369.174162258618 962.276738654413 961.298543441824 976.774281548069 52 0 27 93 7.69171830161892 14.6198468841261 1.50990331349021e-14 +M369.179T843 369.178696466274 369.175882486341 369.179345516259 843.430416204278 842.880001642762 843.875692444549 30 3 27 [121][M]+ [M+H-H20]+ 386.185 13 7.16429433502059 -28.1244142842676 0.00095148422455571 +M369.177T786 369.176842974132 369.175590290492 369.178095657771 786.006593379712 785.476465903741 786.536720855682 2 2 0 1175 9.24918553432886 -8.26348313822304 0.0142435024390759 +M369.182T1016 369.181590941706 369.177792734176 369.182009544825 1015.8093260262 1015.57165562104 1016.1374213688 3 3 0 [M+H]+ 368.174 5 16.9801933047011 -3.12795371495895 0.0887117813428628 +M369.18T1034 369.179896952518 369.176590809401 369.180387033797 1033.8891119772 1033.60406066068 1034.05010827216 3 3 0 531 8.3487149486226 -3.54542422212096 0.0706955843069759 +M369.192T1012 369.191621365266 369.188127569778 369.192331630067 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 941 24.7444267689625 -6.17902788520624 0.0251471104521002 +M370.044T161 370.044400975376 370.04359288563 370.048844586244 160.724202534851 159.536074080651 162.316858426835 23 0 23 520 16.6849177306806 9.39785116202257 7.22168991273975e-10 +M370.182T843 370.181972653433 370.17864786269 370.182593420621 843.327373818339 843.038688530069 843.364397316131 3 3 0 [121][M+1]+ 13 5.57116868984186 -16.3582619370036 0.00339216881633142 +M370.304T1081 370.304338055683 370.301760559858 370.305319335131 1081.10401937937 1080.5143754779 1081.55119785344 10 3 7 [M+H+NH3]+ 352.264 8 5.78734020086596 -1.55345202702871 0.259589669457965 +M370.922T1384 370.922308605211 370.920796189043 370.923088455045 1383.61926288475 1382.1352320181 1405.57374893541 37 3 27 62 1.19632019333012 1.60697902341565 0.195488603631606 +M371.109T41 371.109204664741 371.108124972456 371.11042146558 41.3822105541278 40.7876342565016 41.7643851335541 26 0 26 [122][M]2+ 388 118.689066421382 12.6028335499563 1.36424205265939e-12 +M371.188T999 371.187895756075 371.186356678598 371.194799969032 998.915680105064 986.934909882436 999.204493709498 21 1 20 38 2.10098875182957 4.71644002887543 0.00487491752660385 +M371.187T969 371.187408865816 371.186425169451 371.194222467739 968.932812550024 968.366687793369 976.435967361882 6 2 4 1366 2.67875460046148 -2.1304118665579 0.16643114001188 +M371.207T1020 371.207182017224 371.20391212755 371.207266265135 1020.23281304553 1019.89834480738 1020.36168253239 3 3 0 [M+H]+ 370.201 524 12.3313260946511 -6.15805604080753 0.0251556829136983 +M371.335T968 371.335498427471 371.33323123225 371.336642940854 967.723739306223 965.551688232666 968.787691993043 24 3 21 [M+H]+ 370.329 128 1.10726672105369 0.44977681512026 0.687997660926219 +M371.613T41 371.612961968055 371.610989446595 371.613419501113 41.3480841081032 40.7639234021427 41.7643851335541 26 0 26 [122][M+1]2+ 389 Inf 13.3475404548779 3.82582854285829e-13 +M372.117T41 372.116677092528 372.114183466565 372.118527551487 41.0434910168718 40.7251247517259 41.7643851335541 23 0 23 [122][M+2]2+ 390 244.855382542401 14.0899507877054 1.07913677993565e-13 +M372.147T1026 372.146552931957 372.144065215887 372.147253223197 1026.0566311344 1025.65749318327 1026.65155418383 18 3 15 522 1.13160325540217 -1.69632605295484 0.101204111064696 +M374.205T914 374.204885882157 374.202154901289 374.205045411225 914.293653686947 913.385329602385 914.607636392737 3 3 0 1241 14.8336836373759 -10.926402927206 0.00820705618876172 +M374.946T41 374.946098167139 374.943986695638 374.948209638639 40.7689580995731 36.6638869593106 44.8740292398356 2 2 0 1 19.6456561892973 -4.58932674098168 0.0441078372469452 +M375.115T268 375.114656019039 375.11296582501 375.116482694556 268.205767427889 263.413770117956 273.52386253377 23 0 23 [M+Na]+ 352.125 102 658.530706953616 15.1169788521601 2.1094237467878e-14 +M375.261T1081 375.260626792537 375.257753405788 375.261037478775 1080.99160967651 1080.36312334578 1081.55119785344 19 3 16 [123][M]+ [M+Na]+ 352.264 8 3.35078173767196 -1.13275978840561 0.371098523296007 +M376.169T298 376.169402868257 376.167564845619 376.170139318657 297.864138230769 293.51877279374 311.87290027464 18 0 17 [M+Na+K-H]+ 315.215 96 5491.97140212348 4.07823931191636 0.000381117724009616 +M376.264T1081 376.263952549608 376.261064440517 376.264679632687 1081.12864728144 1080.60703479771 1082.07473084456 11 3 8 [123][M+1]+ 8 3.27525677157787 -1.11756240216582 0.37628189587426 +M376.939T1382 376.938501741385 376.936028742542 376.93968495718 1382.26458413335 1379.78966332607 1390.18372078475 28 3 23 [2M+Na+K-H]+ 157.993 62 1.20507069331354 -1.69586587351503 0.199066651428187 +M377.017T44 377.016847034806 377.01055187024 377.01975314255 44.1734442615188 40.736167992217 46.9663802267589 21 3 18 55 1.56723372259649 1.53809195559075 0.15190380703408 +M377.029T117 377.02945759398 377.025485228976 377.029516480461 117.016181459786 116.233284013787 117.438299041981 3 3 0 63 7.03344225078022 -3.32183912073759 0.0782355478310999 +M377.094T282 377.093950096777 377.093405684811 377.094754153672 281.994296499896 281.236199123748 282.668825730106 23 0 23 157 111.550334605464 14.7682411736825 3.59712259978551e-14 +M377.094T227 377.09356768475 377.091356944743 377.094173740984 226.977184198696 225.448546166207 230.283173020092 23 0 23 [M+Na]+ 354.104 112 1515.80215574803 12.9749828199139 7.27640170339328e-13 +M377.094T250 377.093608351147 377.092947742178 377.093998622196 250.382000975913 247.991057310438 252.91877126333 17 0 17 779 374.4479557476 13.7889111656545 1.78967951569575e-13 +M377.096T545 377.09629316655 377.094190935085 377.099049224226 544.935848542395 529.815400339248 545.487342662135 21 0 19 1268 54.0024547747152 2.77190696082336 0.0101560863224697 +M377.133T457 377.132512712397 377.130598119643 377.133005408913 456.748162683004 456.283771684418 457.094007940588 26 0 26 [124][M]+ [M+H-H20]+ 394.135 27 221.640263450862 12.6029639946656 1.38511424552235e-12 +M377.146T1035 377.146204968096 377.143292582004 377.147037562127 1035.41235230384 1035.247393605 1036.34357555358 3 3 0 569 11.4657011973139 -2.2572075984194 0.152289556992852 +M377.195T1056 377.195389794014 377.192405135389 377.195590379054 1055.55895711824 1055.48497150287 1055.79136612065 3 3 0 957 17.5524177013265 -2.55996268226836 0.124531848484286 +M377.968T1387 377.967554464342 377.96707802533 377.968198065961 1387.02451962073 1386.24433081121 1395.20451962073 25 2 22 [M+H]+ 376.961 44 1.12147720518408 -1.17138941176305 0.336684096608693 +M378.027T69 378.026500557208 378.022354513784 378.027113489479 68.7167336134342 41.3489213740382 69.3815638205859 17 0 16 803 13.8486175841325 5.57237742715923 7.3897270924661e-06 +M378.136T457 378.135668883216 378.134074505201 378.136812209031 456.852886716416 456.283771684418 457.226932940934 25 0 25 [124][M+1]+ 27 451.338796769836 12.7079201804418 1.13731246642601e-12 +M379.162T990 379.161529591418 379.158408889161 379.163223669032 989.993630897888 989.392304694055 1004.23481142933 31 3 25 [125][M]+ 1014 26.1898948479551 -7.73940510919638 0.0161623011190015 +M379.161T914 379.160897214124 379.158216359682 379.160954068367 913.6046901547 913.385329602385 913.933688273438 3 3 0 [126][M]+ 72 12.3833559136575 -30.8855497585446 0.00085939955040959 +M379.332T990 379.332470407376 379.327123187798 379.332480853349 990.260410337264 989.998304168691 990.337554659251 3 3 0 1042 22.5215396883379 -5.77129991174516 0.0286771769104606 +M380.139T162 380.139309381034 380.136529698744 380.140715132493 161.956179676215 159.966114410025 179.20094354877 49 0 27 [127][M]+ [M+Na]+ 357.152 4 680.140352172609 13.9526142826259 1.38333788868295e-13 +M380.165T914 380.164762378128 380.161396377678 380.164808935396 914.293653686947 913.385329602385 914.607636392737 3 3 0 [126][M+1]+ 72 9.90725994462403 -16.319892393444 0.00341704691324107 +M380.165T991 380.164887058841 380.161511626347 380.166195065992 990.50108502895 989.998304168691 1004.23481142933 8 3 2 [125][M+1]+ 1013 22.7535856974476 -7.42354890810949 0.0175718756258654 +M381.046T116 381.046162502381 381.044117836583 381.04714449413 115.84372192821 114.497993602145 116.412695632945 24 0 24 [M+2K-H]+ 304.134 6 6.80833783701421 14.680798065836 3.06421554796543e-14 +M381.089T42 381.088774934756 381.087312095119 381.089348606335 41.598855867046 41.0689429162192 42.4100132150356 26 0 26 [128][M]+ 391 272.135493121231 8.72927619345276 3.31485172644364e-09 +M381.125T312 381.124786945799 381.122793501857 381.125559517382 311.891331694881 293.51877279374 345.201500228441 35 0 16 1272 1817.27039567297 3.6280980165193 0.00122334183560557 +M381.136T776 381.135666223809 381.13277620843 381.136893435066 775.932452335572 775.899812864784 776.938970273283 3 3 0 190 3.84767941490593 -38.0813444919127 0.000103263594244396 +M381.143T161 381.142901800032 381.140326934609 381.144188693439 161.4562279348 159.966114410025 178.751452743462 37 0 27 [127][M+1]+ 4 102.045797466019 13.065738159987 5.62216939670179e-13 +M381.153T952 381.153099803663 381.150134016112 381.154314744623 951.8799528728 948.115767824745 956.690941148583 6 3 0 1255 15.2987411967078 -10.4887364767169 0.00892399236246399 +M381.167T990 381.167148574894 381.163905079389 381.167468246247 990.337554659251 990.260410337264 990.675719174889 3 3 0 [125][M+2]+ 1043 14.8422122897461 -5.42969071776571 0.0321167639727722 +M381.177T766 381.176608483055 381.172872807977 381.17692867911 765.654477467698 765.2841636527 765.656983793687 3 3 0 210 18.3361726620312 -19.9484409520582 0.00248862692709606 +M381.175T805 381.175178014768 381.173566217864 381.176789811672 804.883346234445 804.760970964621 805.005721504268 2 2 0 1189 11.1534576565394 -18.4239955394883 0.00285254008213487 +M381.258T41 381.258075636757 381.257233769971 381.259103899891 41.4914842269954 41.0251742003959 42.2528204761784 15 0 15 392 34.3788516783645 7.90752057325694 1.57779165288474e-08 +M381.261T823 381.260656942541 381.256432659118 381.261200768926 823.455699877788 820.279207328138 824.088752090032 30 3 27 [M+K]+ 342.297 154 1.89393447038395 5.70200810378149 0.000179229550363535 +M382.053T116 382.052954007862 382.050731405827 382.054164668058 115.862436870199 114.497993602145 116.507517547622 26 0 26 [M+K]+ 343.091 6 48.3609398320711 18.0856042314971 0 +M382.076T104 382.076430723199 382.075613376199 382.077067234927 104.23629843051 103.521162299272 105.117486671479 16 0 16 1270 Inf 6.20949649403741 1.43741069758008e-06 +M382.092T42 382.092038925347 382.090212843088 382.092745313136 41.598855867046 41.0689429162192 42.4100132150356 24 0 24 [128][M+1]+ 393 488.322396765826 9.40402444979292 7.48755280000069e-10 +M382.141T161 382.140614889152 382.135524835563 382.144611494271 161.098622014648 157.468959176516 163.591238696556 19 0 18 [127][M+2]+ 521 109.435836526657 10.0532976997335 1.89564364205808e-10 +M382.157T958 382.15659052466 382.153598018746 382.157279589858 958.348916871295 958.308075588547 959.418229138687 3 3 0 808 4.00484486323073 -15.5017852202682 0.00242852147976347 +M383.008T35 383.00794320559 383.006217199391 383.008505825081 35.1795592195174 34.1910829828605 35.5999298630706 20 0 19 394 108.17332743618 20.3041385516684 0 +M383.037T76 383.037049702605 383.032612422833 383.037214376206 76.0262486203418 76.0054540769532 76.1799240390991 3 3 0 1219 234.137333986538 -16.1992680067612 0.00378853440555815 +M383.092T42 383.09177741435 383.089994286455 383.098519776105 42.1279820614616 41.0689429162192 44.8159623887041 17 0 17 [128][M+2]+ 395 82.9037867008232 12.9214391879864 7.26529947314702e-13 +M383.157T1062 383.156538510316 383.15526761992 383.15947272654 1061.84422325993 1060.18980811249 1063.84734291904 27 0 26 479 1.73629770207009 1.53674797461203 0.192539557542992 +M383.17T519 383.170402597523 383.16839052011 383.171297873976 518.810811728241 511.399223386306 519.764009308776 38 0 27 153 99.2473196979343 7.0065331203412 1.93455325314673e-07 +M384.01T35 384.009555567636 384.009079690144 384.009969272615 35.2265012139817 34.4671271613396 35.4171173848445 14 0 14 396 106.982094907323 22.722994366252 0 +M384.04T76 384.039860137086 384.035585474646 384.040234723564 76.0262486203418 76.0054540769532 76.1799240390991 3 3 0 1220 54.9700150727701 -16.0306200691473 0.00385393170512471 +M384.125T161 384.124616961582 384.122677837464 384.125506794051 160.896287711754 155.298151146249 162.911076085025 17 0 16 4 49.8747984044422 5.92531616647465 2.94965001801373e-06 +M384.154T457 384.153517518667 384.151751419731 384.154363132208 457.274008466994 450.972462129649 465.180147633862 20 0 15 910 1.84728914081343 2.26224174696111 0.0320458010964384 +M384.231T459 384.230818868915 384.227669286644 384.232056886224 459.077061647139 458.443719028287 459.9116711469 30 3 27 1311 1.12292212279671 -2.23849205313055 0.110162110002949 +M384.328T29 384.327833722176 384.320529229952 384.328800849745 28.7817877327433 9.26053390750424 29.8640991200062 7 2 4 397 1.49063331337873 0.885943196964447 0.460088163204897 +M384.78T284 384.77978384648 384.777836307219 384.781731385741 284.085324004788 280.958829652602 287.211818356973 2 2 0 1382 906.818497904397 -5.10118168961338 0.0363463784207501 +M385.1T41 385.100374491968 385.097488990402 385.101760444163 40.9050585695357 40.6759216414035 41.7487036638163 25 0 25 [128][M+3]+ 398 131.540387793927 9.43576390987871 6.77800482407065e-10 +M385.137T600 385.137380683578 385.135736875752 385.137881051889 599.616241570641 599.263011296357 600.150338617041 16 0 16 165 36.5888556326962 4.58507484571539 9.93980502150826e-05 +M385.141T1026 385.141296847797 385.13843926791 385.141944152279 1026.09927100062 1025.65749318327 1027.05511697953 16 3 13 522 1.45983425227681 -0.709720488783341 0.547654144095553 +M385.149T413 385.148606441292 385.146504236371 385.149301437264 413.034149313165 412.353704087283 432.02911164432 27 0 23 [M+2H]2+ 768.282 123 123.271444111408 7.66793981954631 3.82908291740591e-08 +M385.176T986 385.175743317443 385.172617456086 385.175815891489 985.932523452266 985.574456956387 986.179150557527 3 3 0 [M+H]+ 384.168 1015 7.31809163597807 -4.17608374536559 0.0526673243655233 +M386.095T66 386.094618012131 386.092634209473 386.096803794986 65.8107617541648 40.7046679206047 66.4440964296942 29 0 27 [129][M]2+ [3M+H+K]2+ 244.073 2 Inf 3.29505731967439 0.00284352079398054 +M386.207T1015 386.207176157861 386.203715333955 386.207370920631 1015.45673315241 1015.11866347346 1015.57165562104 3 3 0 [M+H+NH3]+ 368.174 5 32.3680900653925 -2.33475523448217 0.144657111105433 +M386.217T1012 386.217356889895 386.213411007052 386.217913670175 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 [M+H+NH3]+ 368.184 30 24.8084062985538 -6.62720332878349 0.0219604151897872 +M386.596T66 386.596074915343 386.593824602542 386.596745617802 65.7828381151972 64.987651753089 66.2613909628792 24 0 24 [129][M+1]2+ 2 Inf 3.28037940980238 0.00294973856161818 +M386.918T1408 386.917658598594 386.910482005813 386.918121005147 1408.28137398264 1405.42451962073 1411.82422300523 12 2 10 [M+Na+K-H]+ 325.973 [M+2Na-H]+ 341.947 45 1.24979774813186 1.37871718513758 0.281837225533777 +M387.114T504 387.114289754555 387.112386541051 387.114757509609 504.407482184407 503.891634226453 504.741854456233 25 0 25 200 867.865570609019 11.4179313403195 1.24587007377386e-11 +M387.165T369 387.164572735226 387.163064622701 387.165495247045 369.298832560842 368.766566767293 369.887051430329 23 0 23 [130][M]+ [M+H]+ 386.158 130 47.0991653826164 5.75820126077438 4.59402877606152e-06 +M387.164T389 387.16436933506 387.162774101891 387.164856898876 388.627730280022 388.083881809171 413.120689535705 19 0 16 [M+H]+ 386.157 143 43.2440369016241 4.93485730277405 3.98172107933803e-05 +M387.19T862 387.189903757494 387.186874115286 387.190534225056 861.943591449882 861.631577150966 862.838641416713 30 3 27 [M+H]+ 386.183 763 10.4685459384919 -19.5895130576137 0.00245595290849532 +M387.19T843 387.190326510565 387.186250353535 387.190766498161 843.364397316131 820.524649980708 843.69473474403 33 3 27 [131][M]+ [M+H]+ 386.185 13 6.30870146593664 -38.6020847956751 0.000389728613396256 +M387.19T786 387.1896524288 387.186538349147 387.190638272232 786.457280098321 785.536325274583 786.877074152317 26 3 23 [132][M]+ [M+H]+ 386.185 57 36.8863394065032 -34.3309164937307 0.000822125843544796 +M387.19T891 387.19009536725 387.186890834058 387.190164284811 891.101714954158 891.026862053041 892.292987829307 3 3 0 [M+H]+ 386.183 56 8.88118626491012 -17.1762540373194 0.00260219017703855 +M387.191T965 387.19147349261 387.189444570984 387.193502414236 964.644437845776 964.418474859239 964.870400832313 2 2 0 [M+H-CO]+ 414.18 91 9.95507243021999 -7.16093100485677 0.018820636227072 +M387.202T936 387.202173114775 387.197265925594 387.203142539041 936.098077128017 935.806049981305 956.304187482111 32 3 27 [133][M]+ [M+H]+ 386.195 35 54.2618187448748 -35.6195472828948 0.000782187563390213 +M387.211T1015 387.210636172883 387.210109052551 387.211163293215 1015.00494682956 1014.43823803808 1015.57165562104 2 2 0 5 6.14519663369836 -5.10692912487582 0.0335414047431102 +M387.361T843 387.360539407445 387.357470670953 387.361394114089 843.360044021312 842.95547601324 843.561127949773 30 3 27 [134][M]+ [M+H]+ 386.358 13 10.9243611877268 -29.7848913107711 0.000920250248961807 +M387.373T936 387.372549742997 387.370475316534 387.373555957415 935.849948033231 935.806049981305 936.073154740285 3 3 0 [M+H]+ 386.369 35 172.248400310128 -27.8583835677289 0.00128442175030119 +M387.433T843 387.433130776213 387.429778247458 387.434278312027 843.437442506778 843.014303886067 843.865812926095 17 0 17 805 17.183344410935 -36.0285015561903 0.000388411554452794 +M387.442T843 387.442058064402 387.43508996452 387.443324877467 843.341532272416 843.038688530069 843.364397316131 4 3 1 [135][M]+ [M+H]+ 386.438 13 3.95888533747128 -17.7293914181549 0.00144681552626436 +M387.445T936 387.445352145659 387.444550655344 387.446297631564 935.849948033231 935.806049981305 936.073154740285 3 3 0 [M+H]+ 386.441 35 61.6328583585241 -31.395589990958 0.000998049646077082 +M387.546T843 387.54637383099 387.545453723485 387.547293938494 843.2015429231 843.038688530069 843.364397316131 2 2 0 [M+H]+ 386.545 13 10.8883331598998 -3.84303328170831 0.0614273833140007 +M387.604T843 387.604159728853 387.601115249188 387.605008357935 843.327373818339 843.038688530069 843.364397316131 3 3 0 13 8.92176961889314 -30.1304920949594 0.000918101546331762 +M387.616T936 387.615549266609 387.613477829635 387.617620703584 935.827999007268 935.806049981305 935.849948033231 2 2 0 [M+H]+ 386.613 35 1364.48376298469 -9.95661565351143 0.00993528868529303 +M387.665T844 387.664849633936 387.664749076564 387.664950191309 844.043229940927 844.020825281978 844.065634599876 2 2 0 [M+H]+ 386.662 13 6.62194136112947 -5.71354648603182 0.029173107005076 +M387.737T843 387.737148039405 387.736656370509 387.737639708301 843.2015429231 843.038688530069 843.364397316131 2 2 0 806 6.1197404233888 -4.56018500679591 0.0447434911319697 +M388.068T82 388.068480855355 388.067443867247 388.069268968554 81.6413133787538 74.2398535065184 82.7563724241344 22 0 14 905 55.8703367844951 5.21022976717291 1.93071182641447e-05 +M388.167T370 388.167115830081 388.165923501459 388.167884103556 369.648305241242 368.851976515519 388.703579586686 20 0 14 [130][M+1]+ 130 90.1198165860658 5.86581591502357 3.48040786635195e-06 +M388.193T843 388.193440703799 388.189966367363 388.193910761786 843.428634456785 842.95547601324 862.838641416713 33 3 27 [131][M+1]+ 13 6.6007265867685 -60.8209292480179 5.9045742160535e-05 +M388.193T786 388.192774077866 388.18962837016 388.193028174962 786.223576474321 786.162010959737 786.536720855682 3 3 0 [132][M+1]+ 57 27.7016861317239 -32.7702526470508 0.000905477940954302 +M388.207T936 388.206515025769 388.203275163588 388.206754178682 935.849948033231 935.806049981305 936.073154740285 3 3 0 [133][M+1]+ 35 43.005525055399 -31.1903401281735 0.00102041724852198 +M388.364T843 388.364381562531 388.361897964878 388.365487092751 843.355690726493 843.038688530069 843.997692022672 7 3 4 [134][M+1]+ 13 10.3475665073227 -37.2481577698658 0.000631685382504354 +M388.377T936 388.377204592953 388.374044962981 388.377600654614 936.073154740285 935.849948033231 936.489435405805 3 3 0 35 155.49750319579 -13.6943377310252 0.0052524942822787 +M388.442T843 388.44158849686 388.439896261975 388.443280731744 842.99534717162 842.663320524902 843.327373818339 2 2 0 [135][M+1]+ 13 5.46700476452233 -2.3689168340826 0.141285206646308 +M388.608T843 388.608239907622 388.607269312198 388.609210503047 843.345885567235 843.327373818339 843.364397316131 2 2 0 13 7.18974415882363 -8.23160544119609 0.0143291028140826 +M389.096T503 389.096448984964 389.094551538115 389.097564245876 503.213372864679 502.681316944342 504.207639855932 16 0 16 [M+H-H20]+ 406.102 65 34.309156336519 5.05539087064187 2.8179851011334e-05 +M389.196T843 389.195837527236 389.192715620251 389.196386201133 843.360044021312 842.95547601324 843.561127949773 30 3 27 [131][M+2]+ 13 6.7785370132782 -44.9967506124687 0.000226102305605824 +M389.195T786 389.195309356172 389.191870215597 389.195711047327 786.223576474321 786.162010959737 786.536720855682 3 3 0 [132][M+2]+ 57 12.0290279530431 -28.930890689224 0.00111063894707142 +M389.208T936 389.208418958077 389.205589590355 389.208574165722 935.849948033231 935.806049981305 936.073154740285 3 3 0 [133][M+2]+ 35 20.7694682026199 -35.9422810118006 0.000761152314655122 +M389.365T843 389.36515423584 389.364083089157 389.366262111241 843.327373818339 843.038688530069 843.364397316131 3 3 0 [134][M+2]+ 13 7.48500423071511 -19.2358530608907 0.00232070346476476 +M390.185T250 390.185311167361 390.182578617793 390.185853821363 249.636121197636 246.356498946234 253.177659972716 16 0 16 780 Inf 6.11011261450124 1.85449196266063e-06 +M390.198T843 390.198309269564 390.195123727049 390.198740733939 843.364397316131 843.327373818339 843.713528289696 3 3 0 [131][M+3]+ 13 5.64110112188353 -19.6523865369658 0.00229565282250399 +M390.919T40 390.918700614845 390.914748591289 390.918992751108 40.0578883618972 39.8828370496207 40.1101438041452 3 3 0 399 38.438729365134 -3.23855877169843 0.0835476022470036 +M391.112T602 391.111728309355 391.110235576404 391.112283149609 601.505089122884 601.056756409866 601.847983370969 15 0 15 162 63.7308003010068 4.1501748535102 0.000315137205141314 +M391.163T1016 391.162818354048 391.160159325771 391.16426801181 1016.15329649831 1015.45673315241 1030.96151927103 10 3 5 [136][M]+ [M+Na]+ 368.174 5 29.4825324310898 -4.82820208302101 0.0402184250931237 +M391.174T1012 391.173980497976 391.170267532098 391.174474485115 1011.78144093527 1011.71867067939 1012.15108999315 5 3 2 [137][M]+ [M+Na]+ 368.184 30 45.2371378951419 -4.29482599848901 0.050110639791586 +M392.167T1016 392.166727442339 392.16282378481 392.167074002206 1015.57165562104 1015.45673315241 1015.8093260262 3 3 0 [136][M+1]+ 5 20.6492784192634 -4.5863049008717 0.04425109038085 +M392.177T1012 392.177079310133 392.172870306355 392.177282045938 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 [137][M+1]+ 942 29.7683453796583 -4.28876767468607 0.0502367653283391 +M393.068T227 393.067799954795 393.065530408163 393.068591040652 226.977184198696 224.93087788207 230.9623612286 21 0 21 [M+K]+ 354.104 112 1060.23822667471 13.8379410657971 1.66533453693773e-13 +M393.177T977 393.177156756103 393.176811548665 393.184061269268 976.604304375835 975.977426279995 996.09863705489 7 3 2 [138][M]+ 16 9.53564609534848 -8.40481886206999 0.0136192222685536 +M393.19T1020 393.190473969414 393.187111673504 393.190969772248 1020.08122814994 1019.89834480738 1020.36168253239 4 3 1 [139][M]+ [M+Na]+ 370.201 524 51.5923030980047 -4.7175912667081 0.0420889759798027 +M393.188T996 393.187987390109 393.187837080086 393.188137700133 996.425876824689 996.385619902735 996.466133746643 2 2 0 1002 15.6726990341563 -6.31198014458541 0.0240788970279082 +M393.319T968 393.318615595537 393.315123611623 393.319080400568 968.157239836045 966.217288059874 969.177175196212 30 3 27 [M+Na]+ 370.329 128 1.0918970152436 0.436812350907091 0.69663245034619 +M394.181T982 394.180506713605 394.180156311668 394.188814606803 981.831979196865 975.977426279995 996.09863705489 4 3 0 [138][M+1]+ 16 6.6483707706071 -4.87426161704996 0.0391861821264705 +M394.193T1020 394.193295090699 394.189958521892 394.193923919131 1020.23281304553 1019.89834480738 1020.36168253239 3 3 0 [139][M+1]+ 524 49.0615281149168 -4.35605597865287 0.0488390521030753 +M394.322T968 394.321807981402 394.317848370214 394.322559559265 968.182088443952 966.217288059874 968.919884114179 30 3 27 1367 1.10316055935558 0.396060264149881 0.724771430144398 +M395.018T59 395.018277020716 395.017103766019 395.021951051001 59.048991060472 58.7345887739542 59.2321491735964 17 0 17 [M+K]+ 356.059 423 6.51565269458662 7.3781186336533 4.93963332459657e-08 +M395.136T990 395.13585264265 395.132605653984 395.136751279451 990.099223945525 989.681209566671 1004.23481142933 14 3 10 [140][M]+ 1028 28.4909826243471 -6.41606890840078 0.0233203026095004 +M395.144T457 395.143686098643 395.141984972543 395.14435731534 456.756244855054 456.283771684418 457.117927367498 27 0 27 [141][M]+ [M+H]+ 394.135 27 702.206819255415 12.640237605179 1.31006316905768e-12 +M395.141T250 395.140839377808 395.138240411522 395.14199871974 249.55791538517 244.936908165804 253.177659972716 17 0 17 781 Inf 6.31106680240137 1.10901492567095e-06 +M395.143T335 395.143351285772 395.14160388276 395.14363506997 334.944322118034 334.528286881925 335.639320815758 15 0 15 1352 34.0459279764621 6.40082482887624 7.6235443113859e-07 +M395.145T914 395.144927260601 395.143683613653 395.146370792024 913.6046901547 913.385329602385 913.933688273438 3 3 0 [M+K]+ 356.187 [M+Na]+ 372.161 [M+H]+ 394.142 72 17.5413624614808 -14.1477387556628 0.00486498475005481 +M395.155T909 395.154593710418 395.152183975215 395.155746110947 909.330239369097 908.789223294134 910.565361614897 3 3 0 [M+K]+ 356.187 [M+Na]+ 372.161 [M+H]+ 394.142 72 6.65894832421321 -155.717408110666 1.68753899743024e-14 +M395.156T883 395.156221316318 395.153352772074 395.156569178383 882.991245873516 882.203576636039 883.439151080236 3 3 0 [142][M]+ 1374 8.23741818027048 -28.6542189434742 0.00104561572536621 +M395.169T941 395.169410783923 395.166469637246 395.169816777724 941.434334978341 941.277430206266 941.473198318817 3 3 0 83 14.178471911081 -12.326725871689 0.00645959277026731 +M395.316T457 395.316471097827 395.314889411945 395.317125836755 456.810639148407 456.283771684418 457.117927367498 25 0 25 [M+H]+ 394.311 27 112.394563176233 9.8935208814775 2.6308488720872e-10 +M396.115T162 396.114819895568 396.112305028188 396.115575884294 162.093063344655 155.698505093734 179.20094354877 54 0 27 [143][M]+ [M+K]+ 357.152 4 2961.04752586151 12.8750479301558 8.66862137627322e-13 +M396.139T990 396.139199052603 396.135541439299 396.139301967334 990.260410337264 989.998304168691 990.337554659251 3 3 0 [140][M+1]+ 1020 23.9172614069571 -6.33516769496125 0.023858918738505 +M396.147T457 396.146914677088 396.145039466133 396.147556626839 456.740080510953 456.283771684418 457.094007940588 27 0 27 [141][M+1]+ 27 910.543966747914 12.5209103337803 1.62203583897735e-12 +M396.159T883 396.159335642402 396.15675073566 396.159924754491 882.991245873516 882.203576636039 883.439151080236 3 3 0 [142][M+1]+ 1375 6.97685205669597 -7.20515673881584 0.0186295320685446 +M397.119T161 397.118623749648 397.1154244548 397.11915147209 160.983954377089 155.976738862835 178.520005651894 30 0 26 [143][M+1]+ 4 50.1755023299736 11.5573201582515 7.87236942301206e-12 +M397.123T376 397.122526362558 397.120606587248 397.12347758232 375.600522821302 374.883959294812 384.414418633292 43 0 26 [144][M]+ [M+H]+ 396.116 100 612.557900123561 5.87854224528975 3.36888099150556e-06 +M397.123T277 397.122599438017 397.119509486828 397.123494382863 277.477438886312 276.914954396856 277.914277494346 14 0 14 176 139.776029100935 7.36074112244586 8.11923155374927e-08 +M397.137T990 397.136966432141 397.133672330654 397.13703059767 990.260410337264 989.998304168691 990.337554659251 3 3 0 [140][M+2]+ 1044 29.455359547886 -5.38080089337043 0.0327307351965471 +M397.149T457 397.148854002308 397.14706985159 397.149335665508 456.728254194928 456.171206706768 457.094007940588 25 0 25 [141][M+2]+ 27 822.183059096749 12.5185898184151 1.62803104331033e-12 +M397.304T1081 397.304425279911 397.301719284728 397.30558936655 1081.24290756401 1080.89135500795 1081.80770974628 10 3 7 704 4.29818885285008 -1.75374609123912 0.219414356592438 +M398.117T161 398.117321909991 398.11551839535 398.121678975883 161.003995405821 156.040137888115 165.577123707946 20 0 18 [143][M+2]+ 4 124.963756643518 15.0331374477191 2.28705943072782e-14 +M398.126T376 398.125846768436 398.124119566633 398.126501528421 375.533351613503 374.718617954367 383.814948604921 26 0 22 [144][M+1]+ 100 439.441882360001 5.87075811016985 3.43584829831656e-06 +M398.986T35 398.985895501953 398.981991148418 398.986354083298 35.2971187583311 35.1475339075042 36.0265414877752 14 3 11 234 3.68288854207739 6.01324378421844 1.98155594421934e-06 +M399.01T76 399.009700764892 399.004973153843 399.009826967425 76.0262486203418 76.0054540769532 76.1799240390991 3 3 0 1221 15.6957563247079 -11.0475270324499 0.00750279042916846 +M399.092T41 399.091527786481 399.090376412522 399.094978715637 41.2340723728768 40.1077803249214 42.0928662373932 21 0 21 400 65.6098386215239 3.50089931567195 0.0016912994158782 +M399.205T1035 399.204543352314 399.201444856195 399.204666596147 1034.56843699327 1034.28930083356 1034.73137004954 3 3 0 [M+H]+ 398.197 526 8.91783601876832 -2.89156789015317 0.101352829290311 +M399.236T1042 399.236330177162 399.234222123061 399.238438231263 1042.36097761235 1042.21687585771 1042.505079367 2 2 0 539 11.8349014503115 -1.43260446799524 0.288139755201896 +M399.95T1387 399.950097202218 399.949526552757 399.9511693251 1386.91903751817 1385.36967882348 1387.4942013487 14 0 14 [M+Na]+ 376.961 44 1.13414724827705 -1.03670578330166 0.390294171132828 +M401.165T57 401.165227610748 401.163299014501 401.165485919802 57.477245892703 56.6971820199061 57.8083824968809 16 0 16 436 60.3340531813187 4.64913557261325 8.43052967443025e-05 +M402.199T924 402.199161759956 402.197783417451 402.200540102461 923.764056137921 923.546987698895 923.981124576947 2 2 0 862 9.29379875925117 -15.1720466907994 0.00350235821464784 +M402.238T990 402.237895683839 402.23785602352 402.237935344159 990.298982498257 990.260410337264 990.337554659251 2 2 0 1045 14.6030464411894 -5.48533331300552 0.0314691962296905 +M403.077T812 403.077370962423 403.075958859194 403.079019381222 811.86188994646 811.221101386815 812.802704519368 27 0 27 60 7.47499019952983 26.8429832239138 0 +M403.077T66 403.076750065886 403.07614872831 403.078565564989 65.8269493747121 65.0568091664108 66.435581733737 16 0 16 [M+H]+ 402.066 2 300.159686369177 7.08416416359334 1.59514008224448e-07 +M403.158T161 403.157995321032 403.156009858576 403.158999708168 160.724202534851 159.966114410025 161.790082737099 17 0 17 4 39.4849902072036 12.8528663744137 6.84341472378946e-13 +M403.185T787 403.184851720648 403.181199900677 403.184938333306 787.221670298095 786.909884668643 787.531388834506 3 3 0 [M+H]+ 402.177 57 7.4060598146032 -14.2766576017909 0.00457739201087781 +M403.185T844 403.185332476373 403.184977659777 403.185687292969 843.696504209108 843.327373818339 844.065634599876 2 2 0 [M+H]+ 402.18 13 4.82430711267323 -11.7930045264141 0.00653436934650697 +M404.217T843 404.21713720637 404.213004140176 404.217531549178 843.416838485232 843.038688530069 843.69473474403 30 3 27 [145][M]+ [M+H+NH3]+ 386.185 13 6.19641603362447 -149.299242871515 0 +M404.215T786 404.21525722464 404.211678739935 404.215582355199 786.223576474321 786.162010959737 786.536720855682 3 3 0 [M+H+NH3]+ 386.185 57 21.2983870954767 -55.045029539499 0.000278316749553476 +M404.392T843 404.392329331613 404.38713126168 404.393279466299 843.396515886458 843.038688530069 843.875692444549 24 3 21 [146][M]+ [M+H+NH3]+ 386.358 13 12.2193554365781 -146.086411000642 9.72238822782856e-09 +M404.47T843 404.470227961703 404.465045387339 404.4711363228 843.327373818339 843.038688530069 843.364397316131 3 3 0 [M+H+NH3]+ 386.438 13 8.87799017393773 -45.4156798784409 0.00029214587153481 +M404.585T844 404.584657575041 404.584203523031 404.58511162705 843.696504209108 843.327373818339 844.065634599876 2 2 0 [M+H+NH3]+ 386.545 13 7.35370228535446 -27.7101797407919 0.000995356595506536 +M404.641T843 404.641146551087 404.637009234723 404.641310396214 843.327373818339 843.038688530069 843.364397316131 3 3 0 [M+H+NH3]+ 386.612 13 6.97201573908148 -26.8524742318946 0.00105661695151227 +M405.069T66 405.06854169967 405.06600535253 405.06927223703 65.8290151307102 64.987651753089 66.435581733737 24 0 24 [3M+2K]2+ 244.073 2 2636.46644736451 3.61326941512935 0.00127067799796121 +M405.139T1017 405.138664136458 405.135047897589 405.140496446057 1016.64900338068 1016.49021276091 1017.2124771849 8 2 6 529 3.00958249494731 -1.09458879347093 0.387134972682019 +M405.22T843 405.220261004039 405.217372851989 405.220893102167 843.355690726493 842.95547601324 843.561127949773 31 3 27 [145][M+1]+ 13 6.41047166848525 -89.7245888020301 1.42276825298993e-06 +M405.394T843 405.393876712392 405.392048410551 405.394421606237 843.327373818339 843.038688530069 843.364397316131 3 3 0 [146][M+1]+ 13 8.20816427624977 -54.2878182081504 0.000123872935652747 +M405.468T843 405.467560473523 405.46717438539 405.467946561655 843.350253102181 842.634871604486 844.065634599876 2 2 0 [M+H+NH3]+ 387.44 13 5.51875730880276 -7.00945969974613 0.01945906850449 +M406.223T843 406.222542674126 406.219106705266 406.223083692453 843.360044021312 842.790061420084 843.69473474403 30 3 27 [145][M+2]+ 13 6.61006501962342 -81.0706026771357 1.75618808118116e-06 +M407.107T503 407.107149695845 407.105280645033 407.108125175583 502.811300007866 488.529280880128 504.741854456233 35 0 27 [147][M]+ 1194 56.021612171846 4.8076156806818 5.52795044845844e-05 +M407.131T413 407.131028366111 407.129052912733 407.131581653229 413.034149313165 412.517615520532 413.414710303145 23 0 23 [M+2Na]2+ 768.282 123 158.264548844746 8.00592033576445 1.7402443708292e-08 +M407.138T1016 407.13754497501 407.134717606385 407.13821911005 1015.51419438673 1015.11866347346 1015.84389738151 4 3 1 [148][M]+ [M+K]+ 368.174 5 27.6391242284023 -6.2840702479881 0.024217496120793 +M407.147T1012 407.146724510109 407.146503151661 407.146945868558 1012.1026110576 1012.05413212206 1012.15108999315 2 2 0 [149][M]+ 943 27.9895214237243 -2.19099527990878 0.159731582971642 +M407.156T986 407.156029300165 407.152399888718 407.158011699237 985.89860512658 960.780923792903 998.810655332721 13 3 4 [150][M]+ 41 11.7645282429343 -6.01255640913373 0.0263871905996571 +M407.156T924 407.156480365579 407.153433148872 407.156821452651 923.981124576947 923.546987698895 924.01555261884 3 3 0 863 17.0079040374265 -18.4119228516166 0.00290671067212855 +M407.224T843 407.224291978414 407.221229830176 407.224297828634 843.327373818339 843.038688530069 843.364397316131 3 3 0 [145][M+3]+ 13 4.28243483968968 -27.6803896347127 0.000906448300182827 +M407.999T60 407.999376120478 407.998838446403 408.00000879445 59.5298400510191 58.9516026626053 60.5207250443582 17 0 17 423 12.3285638146468 8.75454862646439 2.82006729079853e-09 +M408.11T503 408.110451149492 408.108422222581 408.111186282779 503.210523686451 502.750285400466 503.76467583476 17 0 17 [147][M+1]+ 65 55.3311723488627 4.93947390945653 3.89245624292656e-05 +M408.14T1016 408.140463359538 408.137334243334 408.140888917161 1015.57165562104 1015.45673315241 1015.8093260262 3 3 0 [148][M+1]+ 5 26.8566653720854 -8.48396757253203 0.0132065338322698 +M408.149T1012 408.14852708417 408.14663852772 408.150415640619 1011.59399900637 1011.46932733335 1011.71867067939 2 2 0 [149][M+1]+ 944 48.9043720428738 -5.02357197385978 0.0373217679660143 +M408.16T986 408.160363940307 408.15771490123 408.161454071226 985.574456956387 985.499185710924 985.932523452266 3 3 0 [150][M+1]+ 1017 9.55831165581304 -6.05300892275214 0.0258068260111015 +M408.965T1372 408.964956063541 408.961995486563 408.96719700886 1372.02497299878 1369.77402193023 1373.25686652693 6 2 4 85 1.59260084467651 -1.092282336065 0.385811420227394 +M409.147T369 409.147080155587 409.145351632512 409.147850523452 369.438827684547 368.851976515519 369.664171013475 16 0 16 [M+Na]+ 386.158 130 1150.31099024849 5.29388128731033 1.54962352567622e-05 +M409.147T389 409.146985891586 409.145184311604 409.148030288596 388.659699202381 388.413315975771 389.183667655883 14 0 14 [M+Na]+ 386.157 143 988.729239987481 4.64478061071146 8.58401112133755e-05 +M409.166T1067 409.165881983475 409.163964769483 409.166679167074 1067.24190037098 1066.72305248455 1067.93822778858 25 0 24 450 4.77713688302707 2.86993265595381 0.0113775464993191 +M409.166T1020 409.166115079732 409.162713267302 409.166178130713 1020.23281304553 1019.89834480738 1020.36168253239 3 3 0 [M+K]+ 370.201 524 41.5099973904616 -3.24308097628956 0.0833136084693513 +M409.172T891 409.172415126864 409.169608274294 409.173081980262 891.243625546916 889.077832162215 908.541872815428 55 3 27 [M+Na]+ 386.183 56 5.99114047937242 -21.2821970408266 0.000252350021366921 +M409.172T843 409.172079167072 409.168520981514 409.172678057591 843.281504837179 820.5793610211 843.51782824141 35 3 27 [151][M]+ [M+Na]+ 386.185 13 3.21654022733419 -54.8342074653384 4.03432842688289e-11 +M409.173T966 409.172996523252 409.169904609871 409.173421874007 965.504670758481 965.118670638228 966.217288059874 30 3 27 [152][M]+ 91 18.5015993294171 -14.3478074918733 0.00473727001531676 +M409.174T942 409.17363545404 409.170052688849 409.174644355331 942.420235911564 928.852529130799 943.923768562452 35 3 27 [153][M]+ 1265 14.2916813382469 -50.262045274971 8.85299694979302e-05 +M409.172T786 409.172196211591 409.169002416156 409.172906593354 786.445387303123 767.704341297185 786.689771085025 31 3 27 [154][M]+ [M+Na]+ 386.185 57 22.0022685329611 -9.72716472796673 0.0103670354611221 +M409.172T862 409.172386947121 409.169580708863 409.173277561802 861.928177743221 861.631577150966 862.838641416713 26 3 23 [155][M]+ [M+Na]+ 386.183 763 7.25468622498959 -38.1268229603061 0.00023126226370529 +M409.184T936 409.184409688369 409.181251650199 409.185040125633 936.087885202624 935.775920979566 936.458606836251 30 3 27 [156][M]+ [M+Na]+ 386.195 35 24.1566429306794 -46.6408128770917 0.000429838838770902 +M409.292T968 409.292211006898 409.290025362468 409.292998914442 968.140767300086 966.217288059874 968.603268202564 22 0 22 [M+K]+ 370.329 128 1.31390246979364 -1.27648350658873 0.314099976686727 +M409.348T908 409.34810017493 409.346019037695 409.348202442779 908.102868576345 907.978663316217 908.541872815428 3 3 0 1242 27.684983672701 -20.4930968596457 0.00224093616087551 +M409.348T891 409.347995079415 409.345850270405 409.348118919597 891.101714954158 890.347233831656 891.613557780217 3 3 0 56 18.5451405597963 -15.008973715027 0.00386197312283088 +M409.349T930 409.34863525213 409.346137721921 409.348648303035 929.665280432949 929.550999333391 930.048836157599 3 3 0 864 30.2595266200917 -9.83127811878369 0.0101494927149686 +M409.348T786 409.348310025956 409.345889887285 409.348413624799 785.850708073644 785.536325274583 786.162010959737 3 3 0 [M+Na]+ 386.361 57 45.6362260711322 -30.9563777161629 0.00100915441047755 +M409.347T966 409.346953577743 409.346334701834 409.347572453652 965.664645077292 965.551688232666 965.777601921917 2 2 0 91 1.39393752067133 -1.51599844296443 0.229656472617171 +M409.348T843 409.348045739928 409.345870454378 409.348703246653 843.40504251368 842.95547601324 862.838641416713 33 3 27 [157][M]+ [M+Na]+ 386.358 13 3.15098506878255 -1.84021980104289 0.206797029370434 +M409.36T936 409.359646695328 409.357578380656 409.360288429828 935.849948033231 935.806049981305 936.073154740285 3 3 0 [158][M]+ [M+Na]+ 386.369 35 35.2115759191227 -24.6155634068486 0.00162740589977339 +M409.421T891 409.420997929185 409.418018756016 409.423977102354 890.724474392907 890.347233831656 891.101714954158 2 2 0 56 4.42467039530806 -7.89279869120691 0.0139032102730778 +M409.419T908 409.419433696888 409.417317354983 409.421550038793 908.040765946281 907.978663316217 908.102868576345 2 2 0 1243 6.39349425707632 -5.71837076443343 0.0289879992434283 +M409.425T843 409.425477276581 409.421168132316 409.427104349155 843.40504251368 836.400662261104 849.112099256698 31 3 27 [M+Na]+ 386.438 13 1.65464286337037 2.68891128334593 0.0934298696679194 +M409.436T936 409.435780956233 409.433185338813 409.439109962242 936.169691719518 933.756477221335 936.741868565556 4 3 0 [M+Na]+ 386.441 35 12.6003890555834 -5.82262479597475 0.028177981302689 +M409.433T843 409.432715429709 409.429927200829 409.433539478261 843.327373818339 843.038688530069 843.364397316131 3 3 0 [M+Na]+ 386.438 13 3.88289504211888 -9.53308309415864 0.00971049804358604 +M409.54T844 409.539695221582 409.538185105266 409.540836771038 843.875692444549 842.880001642762 844.196885217437 9 3 6 [M+Na]+ 386.545 13 5.79018808202603 -8.11907122880178 0.0139756614784214 +M409.599T843 409.598628322125 409.595497147208 409.599730875757 843.364397316131 842.95547601324 843.875692444549 29 3 26 [M+Na]+ 386.612 13 4.9721155553998 -44.1251844377359 5.46017358860063e-06 +M409.61T936 409.610287797263 409.607803283411 409.611439730176 935.849948033231 935.806049981305 936.073154740285 3 3 0 [M+Na]+ 386.613 35 21.1338291024183 -70.3638219818652 8.00951006376671e-05 +M409.658T843 409.657792086505 409.654409335401 409.658633359504 843.038688530069 842.800140964474 844.065634599876 5 2 3 [M+Na]+ 386.662 13 3.83280193509916 -7.23003919559194 0.0173621729436078 +M409.784T843 409.784095910918 409.783335455304 409.784856366531 842.851004527485 842.663320524902 843.038688530069 2 2 0 13 3.26125214953943 -5.54171464144248 0.0301577815971448 +M409.907T1391 409.906735232122 409.906377162203 409.907350002923 1390.69401443422 1384.372192569 1395.88451962073 22 2 19 44 1.11915670027172 0.883150456705932 0.44412463832833 +M410.168T976 410.167885065184 410.166794508488 410.168975621879 976.013104453381 975.977426279995 976.048782626767 2 2 0 1046 8.43871000095526 -2.54811870633662 0.125538348216963 +M410.176T843 410.17611576663 410.171548174508 410.176453307942 843.282811927534 820.664340843057 843.51782824141 33 3 27 [151][M+1]+ 13 3.35427232467113 -47.9957778008738 1.77492613939734e-07 +M410.176T862 410.17566260095 410.172246941927 410.176217844605 861.970780816361 861.662270155148 862.838641416713 27 3 24 [155][M+1]+ 763 6.8974541835768 -34.9602394375478 0.000301589750622444 +M410.175T786 410.175365099057 410.172106974221 410.175895940171 786.419499279364 785.536325274583 786.689771085025 26 3 23 [154][M+1]+ 57 20.4054250912859 -19.9624639293591 0.00243463989804593 +M410.176T907 410.175740296115 410.172604035021 410.176723778786 906.704641515617 889.059085977615 908.541872815428 30 3 18 [159][M]+ 1234 7.74520879976527 -25.624203123303 0.000317145554613596 +M410.177T943 410.176715148185 410.172951669885 410.177917335244 942.87601982416 928.852529130799 944.279918169967 14 3 10 [153][M+1]+ 1265 11.2955866693219 -3.54155802950261 0.0711219860681891 +M410.176T966 410.175745931612 410.172770695276 410.176334362184 965.722665474624 965.465325107768 965.840735209643 5 3 2 [152][M+1]+ 91 16.1375854093475 -15.8002141895953 0.00391488356929592 +M410.188T936 410.187735057704 410.184989538512 410.189033426044 936.076582996518 935.600409726068 936.415699896795 30 3 27 [156][M+1]+ 35 23.1280604155697 -37.9860681865521 0.000636706004218501 +M410.351T843 410.350730673605 410.348316593516 410.351488012182 843.319133024502 842.788456333851 843.865812926095 30 3 27 [157][M+1]+ 13 5.01737544282048 -53.4396398570557 3.43841646266441e-07 +M410.362T936 410.362476773866 410.360320647037 410.362940557078 935.849948033231 935.806049981305 936.741868565556 3 3 0 [158][M+1]+ 35 17.9307694198487 -25.4285706722164 0.00124553529933369 +M410.432T843 410.43219720951 410.42893630063 410.433260872531 843.355690726493 843.327373818339 843.364397316131 3 2 1 [M+Na]+ 387.44 13 2.07768142329149 -3.42227509365478 0.0750449208262549 +M410.602T843 410.601646844298 410.59953928431 410.603754404287 843.2015429231 843.038688530069 843.364397316131 2 2 0 13 2.7947179185456 -2.54247576225719 0.125325062093785 +M411.138T882 411.137736460998 411.137678083619 411.137774707732 882.314865349482 882.203576636039 883.439151080236 3 3 0 1376 9.85836631223129 -8.9289446212184 0.0119620035604062 +M411.169T913 411.169022745176 411.166749361132 411.169725179255 912.587266302799 912.033526096072 912.915055529044 3 3 0 [159][M+1]+ 1244 7.07325038841684 -8.16170239404272 0.0142817909353261 +M411.172T240 411.172231042425 411.16648908757 411.172980376328 240.108541016554 238.579455399679 260.009320115259 15 0 14 1145 211.131185144718 6.78645037005729 3.34108999577865e-07 +M411.178T843 411.178286965562 411.174947993883 411.178732143924 843.282811927534 842.788456333851 862.838641416713 33 3 27 [151][M+2]+ 13 3.39081487429247 -53.9931694893529 3.73692410349236e-10 +M411.175T908 411.17535829912 411.171990091863 411.17664309524 908.102868576345 907.978663316217 908.541872815428 3 3 0 1235 8.11409432149371 -19.0453731540863 0.00230374393694222 +M411.178T891 411.178377237769 411.175613739173 411.178902812165 891.101714954158 890.347233831656 891.613557780217 3 3 0 [3M+2Na+K-H]2+ 246.151 56 6.91814175866881 -19.70927852163 0.00151987274460597 +M411.179T930 411.179222968787 411.17608018453 411.179251878866 929.665280432949 929.550999333391 930.048836157599 3 3 0 865 3.63201655154291 -15.4255390736875 0.00243551287329868 +M411.179T966 411.178802569001 411.17587461513 411.179119098832 965.777601921917 965.551688232666 965.840735209643 3 3 0 [152][M+2]+ 91 10.4406491994681 -13.1207463317682 0.00551554017970468 +M411.178T786 411.178312844312 411.174654339899 411.178455345231 785.536325274583 785.476465903741 785.850708073644 3 3 0 [154][M+2]+ 57 11.8909448710041 -118.767218807611 2.2160037851382e-06 +M411.185T807 411.185422718953 411.181426104703 411.187471022618 806.586589535693 800.56661012768 812.501364219675 6 3 0 189 7.27950707324331 -35.2249934273017 0.000620523578183985 +M411.191T936 411.190724717104 411.187188936732 411.190750069859 935.849948033231 935.806049981305 936.073154740285 3 3 0 [156][M+2]+ 35 14.8856913432873 -33.656850589015 0.000817033310504645 +M411.353T843 411.353159048662 411.350302957135 411.353357675454 843.364397316131 843.327373818339 843.713528289696 3 3 0 [157][M+2]+ 13 2.88335563293068 -10.1961184441039 0.00801940459201544 +M412.181T843 412.180828203504 412.177859775554 412.181538976455 843.341532272416 842.756145653016 843.965743146006 18 3 15 [151][M+3]+ 13 3.71515003013098 -27.7228547180702 0.00038692620569214 +M413.002T50 413.002447837418 413.002099350146 413.002954022917 50.2193250407701 49.9285426223857 50.5211735826608 17 0 17 55 20.2711060187395 5.0741511376064 2.76272917316689e-05 +M413.188T282 413.187898935118 413.185316568488 413.188979666182 281.830628479253 278.967212368616 297.723590457016 26 0 16 1355 779.95927423471 7.06569799956892 1.67058223254912e-07 +M414.239T1015 414.239405873332 414.235388428415 414.239473145892 1015.45673315241 1015.11866347346 1015.57165562104 3 3 0 5 23.5230756424808 -7.42953921515998 0.017473024883254 +M414.25T1012 414.249700755832 414.246280051952 414.249878305682 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 945 24.7164457415352 -9.57326256106592 0.0105730091125089 +M414.332T1081 414.33201603054 414.328877908471 414.332865323495 1081.17568654981 1080.45001159114 1081.56815099031 14 3 11 [160][M]+ [M+H+NH3]+ 396.297 8 5.6354862601127 -1.97674366896742 0.184814644645042 +M414.964T63 414.964220017113 414.959830809848 414.965298283018 62.5827953210148 35.1215560091358 96.4148362313114 81 3 23 424 3.36967435692035 -1.56601680663977 0.251572127123218 +M415.101T161 415.101274037534 415.099071143347 415.101906043314 160.697831164142 155.022378155484 179.20094354877 21 0 14 [M+Na]+ 392.11 4 119.542089302443 4.31360666530669 0.000205550102558849 +M415.14T46 415.140189347549 415.139220326234 415.140936883696 46.4429541989412 36.0265414877752 62.3436767377065 4 2 2 [3M+2H]2+ 276.096 55 4.92367719145817 -1.27309130119752 0.330663605094875 +M415.188T966 415.187770692133 415.184151187262 415.187828533975 965.840735209643 965.777601921917 966.233020436703 3 3 0 [M+H]+ 414.18 91 15.5858754360206 -12.8493238352767 0.00592162665511964 +M415.222T953 415.221876679155 415.218727839357 415.222023830135 952.895420812048 952.891109261759 953.278373758428 3 3 0 [161][M]+ [M+H]+ 414.215 75 30.2295005173277 -15.1169628995698 0.00433729895967616 +M415.233T990 415.232835398358 415.229175356105 415.232972569037 990.260410337264 989.998304168691 990.337554659251 3 3 0 1027 14.4633695364109 -3.73361410430234 0.064734870993516 +M415.233T914 415.23288453397 415.229619275269 415.233134282743 913.6046901547 913.385329602385 914.607636392737 3 3 0 1235 12.4323796982497 -8.45503486632104 0.01365297430802 +M415.242T997 415.242058642784 415.240176441043 415.243940844525 997.300518957075 997.147018908281 997.45401900587 2 2 0 38 28.6201264863657 -4.3708079797045 0.048516224780534 +M415.333T1081 415.333319331318 415.330499634894 415.336033154833 1081.19095128795 1080.89135500795 1081.55119785344 10 3 7 [160][M+1]+ 8 5.60997769441215 -1.92068099878443 0.193281153523112 +M415.466T46 415.465546540037 415.465059071122 415.466172614244 46.1255710395631 36.4752134531536 46.8693522295873 4 2 1 1166 12.8692266616582 -3.30696032162678 0.0796927830259397 +M415.967T55 415.967317181789 415.962408090763 415.968545598309 54.5507016934179 35.2624765753602 63.1253234736337 14 3 9 841 16.2322947516793 -3.37243193731602 0.077250180921697 +M416.225T953 416.225119774741 416.221799529152 416.225414575842 952.895420812048 952.891109261759 953.278373758428 3 3 0 [161][M+1]+ 75 27.0880131883104 -18.7888441660759 0.00280653427342381 +M416.238T339 416.237821282544 416.234194782901 416.23848727952 339.037734374249 335.916786827317 341.606842652366 3 3 0 150 26.1280838238546 -19.230108324542 0.00252081736217424 +M416.236T264 416.235664665312 416.233713254175 416.237616076448 263.709555414988 260.625936458401 266.793174371575 2 2 0 782 24.1448847013813 -12.1438375066581 0.00661339119402116 +M416.99T51 416.990305140691 416.988014733885 416.992555474245 50.8985068975872 50.2827685647992 51.2960169301647 20 0 20 55 1.1893605240736 -0.789711758307215 0.471275912295588 +M417.126T457 417.125702951914 417.123753376194 417.126461456542 456.748162683004 437.413784137761 457.117927367498 28 0 27 [162][M]+ [M+Na]+ 394.135 27 1141.94682337462 13.5044919350544 2.92654789291191e-13 +M417.228T952 417.228106173548 417.226214529345 417.228268770925 952.215273130557 952.213534983396 952.595776441766 3 3 0 [161][M+2]+ 75 12.8876597416612 -8.59907145440298 0.0131618922874326 +M417.303T457 417.302840999602 417.301073188586 417.303436753202 456.883694629814 456.430080546083 457.336056262182 25 0 25 [163][M]+ [M+Na]+ 394.311 27 1970.13308330245 11.1871259734106 1.95115035239724e-11 +M417.381T457 417.381267758545 417.378678586069 417.383779577189 456.923391808531 456.171206706768 457.773749428082 24 0 24 27 Inf 10.5702674310955 6.59818866211026e-11 +M417.556T457 417.556394924081 417.554048431701 417.557300400934 456.945534235756 456.128675848941 458.051804343188 17 0 17 27 Inf 11.2834221114607 1.620126255375e-11 +M417.945T41 417.944833099859 417.940837285212 417.946853978368 40.7904102050627 40.564161796899 41.4144245413885 3 3 0 243 1951.32725816909 -6.65249663646183 0.021857432502757 +M418.13T457 418.129606319994 418.128038353844 418.131122612372 456.756244855054 437.766861398218 457.117927367498 27 0 26 [162][M+1]+ 27 1298.96532211226 12.8725921588268 8.69082583676573e-13 +M418.232T845 418.232385584978 418.22900828709 418.232793318713 844.715244090341 843.713528289696 844.765041888734 3 3 0 13 2.60965243505154 -14.2259516326165 0.00399431393204441 +M418.306T457 418.306070401785 418.302701686496 418.309031397238 456.729695494735 456.128675848941 457.226932940934 20 0 20 [163][M+1]+ 27 863.293176672842 10.5376959949896 7.02140567909737e-11 +M418.965T62 418.964944420287 418.960734812774 418.966993109876 62.3081387552793 43.5124834646468 63.2550883037165 10 2 7 446 11.3987137529665 -1.95061198334603 0.189994605207473 +M419.105T376 419.105228922973 419.103524566894 419.106034690071 375.616118196615 374.813286995561 383.85501582763 45 0 26 [164][M]+ [M+Na]+ 396.116 100 216.642840182868 6.51508276845539 6.60602041957503e-07 +M419.13T457 419.130301099558 419.12897349745 419.132072613629 456.748162683004 455.8309158268 457.094007940588 26 0 26 [162][M+2]+ 27 58.5198750028656 12.9786209189193 6.33271213246189e-13 +M419.288T1081 419.288139713409 419.284670481485 419.28877907024 1080.96983103678 1080.34871909356 1082.07473084456 30 3 27 [165][M]+ [M+Na]+ 396.297 8 4.3843979854454 -1.70447705804754 0.226778043830282 +M419.465T1081 419.464697005978 419.460494190957 419.466738030664 1081.19095128795 1080.60703479771 1082.07473084456 10 3 7 705 5.55873383286908 -1.36118549203982 0.304977482989742 +M420.108T375 420.108284295392 420.106814577355 420.109096874018 375.431680100442 374.883959294812 383.814948604921 27 0 22 [164][M+1]+ 100 214.155302165556 6.62331952319383 5.02892191667215e-07 +M420.212T788 420.211610325702 420.208288582027 420.212033426264 787.531388834506 787.221670298095 787.596257926605 3 3 0 [M+H+NH3]+ 402.177 57 7.49809734915163 -49.7223772297497 0.0001484984616269 +M420.291T1081 420.291301990696 420.288044391145 420.291815234906 1081.0793914773 1080.31360038642 1082.07473084456 25 3 22 [165][M+1]+ 8 4.41787420125095 -1.73244464994907 0.2215261081518 +M420.982T52 420.982174288813 420.976029476927 420.984144868376 52.3570925215072 37.3099127457171 53.0956198861019 24 3 19 [2M+H]+ 209.996 18 3.74320536946455 -3.66275402680445 0.0621383441319356 +M420.981T109 420.981347021859 420.980320241117 420.983733488164 109.148326803988 98.6379712036345 123.734903765334 4 2 2 1228 2.65693743242389 -2.48649987471221 0.124543000403059 +M421.129T875 421.128897470082 421.125628776631 421.129477147054 874.542178656369 874.181450698409 874.758421515671 3 3 0 773 5.77056909140244 -20.6502476633411 0.00221834477822869 +M421.168T851 421.167648402246 421.166209648539 421.168459215076 851.406271511712 850.899262357687 851.701322239422 27 0 27 [M+H]+ 420.158 198 5.80927926497142 25.9220527901533 0 +M421.186T1035 421.185877916682 421.182634555365 421.186270992402 1034.82226559125 1034.28930083356 1035.24012276438 11 3 8 [166][M]+ [M+Na]+ 398.197 526 13.8964068679586 -3.12863191910583 0.0884943307607657 +M421.294T1081 421.293925737064 421.290370124099 421.294687562103 1081.19095128795 1080.60703479771 1082.07473084456 10 3 7 [165][M+2]+ 8 4.24833399092607 -1.61863091142522 0.243725631402139 +M421.351T1034 421.350830353324 421.346731077783 421.352237013381 1034.00963882725 1032.22272847145 1034.76965164126 30 3 27 540 1.07827267475012 -0.222386862744079 0.840010742617805 +M422.189T1035 422.189362777966 422.185775892122 422.189858029118 1034.56843699327 1034.28930083356 1034.73137004954 3 3 0 [166][M+1]+ 526 11.0356098060051 -2.95395166539268 0.097606924513594 +M423.118T553 423.117791349084 423.1157584364 423.119581560767 553.464502260831 533.907831265084 554.241572550842 36 0 25 1104 890.978853139583 6.16949233105865 1.59224886919773e-06 +M423.132T986 423.131539110144 423.128285359805 423.132457086899 985.736531041483 985.499185710924 985.932523452266 4 3 1 [M+K]+ 384.168 1015 12.4268344193502 -4.35245238112313 0.0487392151051214 +M423.14T923 423.140067452746 423.136144458617 423.140639996908 923.28596579373 922.868539380452 923.344734669484 3 3 0 866 40.8369592811963 -108.43664919934 3.7476183170071e-06 +M423.149T699 423.149239999301 423.147623643522 423.151498994003 698.988024009823 698.731227237088 716.825440997438 4 3 0 [M+Na]+ 400.161 227 5.79471510300103 -19.7067183109696 0 +M423.153T908 423.152657188323 423.150595290432 423.155110104695 907.97884381866 907.303491393697 918.642984165576 4 3 0 1245 5.36377693945309 -50.527079066591 1.84230408706298e-12 +M423.175T523 423.175189267192 423.173006619602 423.175521180282 522.546780205231 522.155743272048 524.347402496491 26 0 26 [167][M]+ [M+H]+ 422.168 58 216.596778426319 9.1408784288886 1.32625710413947e-09 +M423.183T900 423.183474473074 423.179872867669 423.183585912437 899.87712169618 899.202847835523 900.432079981034 3 3 0 [M+Na]+ 400.196 217 6.81411053184701 -23.9066288540385 0.001366086757423 +M424.149T921 424.149026564693 424.140904361872 424.149238870267 921.330441501913 919.128278327784 923.546987698895 3 3 0 233 4.61870013252895 -7.2109221321592 0.0179818894807764 +M424.178T523 424.178249904236 424.176326224218 424.179024599953 522.513874605984 522.155743272048 522.957383806895 22 0 22 [167][M+1]+ 58 1367.52860125229 9.01146664305466 1.7668191354403e-09 +M424.256T877 424.256394038923 424.25451752263 424.256857130272 877.361617154409 875.698190484487 878.096781491573 27 0 27 [168][M]+ [M+H]+ 423.249 764 83.1300995541286 7.1838653006427 1.24954869562544e-07 +M424.256T903 424.256072518945 424.254636515616 424.256707775819 903.320228131775 901.779314129919 903.951538141947 20 0 20 [M+H]+ 423.249 148 47.0407730637559 6.09821995102863 1.90810251554652e-06 +M425.123T42 425.123483029316 425.122508948461 425.125041375037 42.0843657206402 41.4914842269954 42.4529648353191 15 0 15 401 19.756397439203 8.62390562622902 3.02378255767621e-09 +M425.147T843 425.147177436322 425.142807402897 425.149445248894 843.355690726493 820.664340843057 843.69473474403 33 3 27 [169][M]+ [M+K]+ 386.185 13 2.95702610544789 -25.9012358074082 0.000785893834099216 +M425.147T862 425.146645168902 425.143612777189 425.147548626532 861.970780816361 861.689052732308 862.838641416713 29 3 26 [M+K]+ 386.183 763 6.82242812738665 -27.4981434690106 0.000973375391487563 +M425.147T891 425.146604224475 425.143587036183 425.147228043039 891.026862053041 888.39721266637 908.541872815428 49 3 26 [170][M]+ [M+K]+ 386.183 56 7.95201933304631 -7.12549900604633 0.0185661697015091 +M425.148T786 425.14776998961 425.145938794607 425.149601184612 786.34936590771 786.162010959737 786.536720855682 2 2 0 [M+K]+ 386.185 57 105.01569369219 -5.28965256207522 0.0338989443003639 +M425.148T943 425.14766799269 425.145649620721 425.151777735602 942.695864356194 928.984709601763 965.722665474624 31 3 23 83 11.5202714886222 -2.04790620834099 0.177075207369614 +M425.153T786 425.153440642903 425.150054055411 425.158777407551 786.492750585566 779.681628179419 787.056643737816 29 2 27 [171][M]+ [M+K]+ 386.185 57 11.1618927673937 -2.1982959635939 0.158980178735773 +M425.152T821 425.151582224353 425.149947516518 425.159630717388 821.252667468664 817.263042366896 821.721868440845 11 3 8 [172][M]+ 95 6.20637088945569 -2.71884873552143 0.112391422338888 +M425.158T936 425.158392414936 425.155394569495 425.159071961779 936.0924888484 935.733084167916 936.769868714725 30 3 27 [173][M]+ [M+K]+ 386.195 35 17.3049756302432 -16.7072208397707 0.0035338776033873 +M425.163T818 425.163160225929 425.160750783149 425.166956215496 818.1060905533 805.379584863696 819.059043858729 31 3 26 1318 12.2513287583766 -9.06615436263217 0.0118758845479614 +M425.164T780 425.164266718231 425.159966381364 425.165910246828 780.336814209686 779.31791391574 795.840824057157 16 3 11 [M+Na]+ 402.177 57 9.60564851774591 -3.16137947506668 0.0871283581431017 +M425.166T720 425.166452426784 425.162785893352 425.166770793836 719.977939529708 719.870549123103 720.228896768768 3 3 0 1080 5.8477213022513 -20.0876346858911 0.000877982209299244 +M425.226T1086 425.225975672861 425.222722026659 425.22656793302 1086.07179924925 1085.50283915418 1086.61863583463 26 3 23 706 1.24237631466643 0.261789726250272 0.811429501104088 +M425.259T877 425.258829888942 425.257174117654 425.259840702251 877.299120036225 875.698190484487 877.59908051284 17 0 17 [168][M+1]+ 764 9.99015380284758 6.93826054942213 2.2462784876609e-07 +M425.324T843 425.324410887471 425.32174865299 425.325648438628 843.40504251368 842.95547601324 861.928277346418 31 3 27 [174][M]+ [M+K]+ 386.358 13 3.82527351511272 -18.9946525091259 0.00215007689675617 +M425.326T786 425.326250008401 425.32140791572 425.326314846856 786.223576474321 786.162010959737 786.536720855682 3 3 0 [M+K]+ 386.361 57 19.2885835029362 -29.5426219992505 0.00110290386650691 +M425.336T937 425.336134474253 425.333875238174 425.338393710333 936.511440467628 935.849948033231 937.172932902025 2 2 0 [M+K]+ 386.369 35 12.729361417564 -13.1731144728952 0.00561139765648067 +M425.401T843 425.400577353164 425.399152631793 425.403920893318 843.432197951771 842.600649297271 844.065634599876 27 3 24 [M+K]+ 386.438 13 4.25003065291607 -23.0689028901065 0.00110519050988622 +M425.581T843 425.580787346278 425.577307860877 425.581093087248 843.327373818339 843.038688530069 843.364397316131 3 3 0 [M+K]+ 386.612 13 3.00550823718778 -34.9433311636223 0.00011747065318013 +M426.15T843 426.150271943142 426.146421519071 426.152254135425 843.430416204278 820.664340843057 862.838641416713 40 3 27 [169][M+1]+ 13 2.97917368368246 -30.5619988266193 0.000440108388995331 +M426.151T929 426.151067073964 426.147103012421 426.154621954961 929.379205484539 928.852529130799 944.122677798547 5 3 0 852 19.5863013094188 -11.5623711543374 0.00734734139101834 +M426.15T892 426.149921260022 426.146786862424 426.150199071431 891.613557780217 891.026862053041 908.541872815428 5 3 0 [170][M+1]+ 56 7.10913660536793 -5.19264100278465 0.0346065082020033 +M426.151T965 426.150735056089 426.147119255768 426.150827890917 965.097958400103 964.870400832313 965.160199026682 3 3 0 91 12.5307213043244 -7.18491283746686 0.0186745488844995 +M426.155T786 426.155351980928 426.152503532512 426.158022117861 786.491024848045 786.162010959737 787.133203448383 20 2 18 [171][M+1]+ 57 12.419292169574 -2.06355310754319 0.175106049348948 +M426.162T936 426.162025220375 426.158457325783 426.162098279903 936.154657532765 935.122883403691 936.741868565556 5 3 2 [173][M+1]+ 35 12.5796613909748 -13.7156868495296 0.00523846738178779 +M426.157T821 426.157375264296 426.155975501802 426.16297722754 820.564795893933 817.263042366896 821.213311276212 3 3 0 [172][M+1]+ 95 9.35258176083915 -2.83464592098415 0.105113768410664 +M426.165T606 426.164813009423 426.162807086258 426.165249294825 605.608269011037 605.137082797468 606.28498526258 24 0 24 [3M+H+Na]2+ 276.123 163 25.2694816166076 6.26863545393998 1.17432443746956e-06 +M426.165T779 426.164907646254 426.162170134337 426.165617792965 779.31791391574 778.996240036281 779.360960892747 3 3 0 228 7.32930948644926 -124.350887242579 3.99680288865056e-15 +M426.167T807 426.166924707622 426.165735848751 426.169878981073 806.559408238839 795.07338139069 817.772983941812 6 3 0 1380 17.5361569751842 -9.84276250033745 0.0101454029806343 +M426.272T980 426.272285333203 426.270495441762 426.27282916038 980.477270238658 963.705324612397 981.037139754267 26 0 22 810 39.4368536629411 6.8581551777691 2.78560654543014e-07 +M426.329T843 426.32884911831 426.325731239851 426.330068836034 843.319133024502 842.800140964474 844.065634599876 20 3 17 [174][M+1]+ 13 3.98932068147841 -28.7995999703464 0.000690521321931481 +M426.997T1374 426.997414079725 426.994976466592 426.99797842769 1373.80442136298 1373.22059791491 1375.16394797962 30 3 27 [M+2H]2+ 851.984 [M+2H]2+ 851.984 32 1.37677190543678 3.2773462031213 0.00279784883806666 +M427.148T843 427.147815495057 427.144351844714 427.14856746249 843.40504251368 842.95547601324 862.838641416713 33 3 27 [169][M+2]+ 13 2.92797217883828 -20.9741133982854 0.00141352450220866 +M427.148T892 427.147862131194 427.144449535674 427.148250991051 891.613557780217 890.347233831656 908.541872815428 5 3 0 [170][M+2]+ 56 6.15110235552179 -25.2768121043701 0.000361387620336329 +M427.148T929 427.147786852747 427.14489078893 427.14894474929 928.984709601763 928.852529130799 929.379205484539 3 3 0 856 11.8722467715263 -12.6216095107354 0.00613536773481838 +M427.149T786 427.148585029186 427.145344308119 427.149331175002 786.162010959737 785.850708073644 786.223576474321 3 3 0 [171][M+2]+ 57 12.9926247705534 -77.4919208376622 7.47141167425358e-05 +M427.148T965 427.148162154833 427.144622364991 427.148670035437 965.097958400103 964.870400832313 965.160199026682 3 3 0 91 7.42041595997776 -10.6383991054946 0.00798918139382732 +M427.159T935 427.159368784771 427.155855897415 427.15965667318 935.148478642832 935.122883403691 936.741868565556 3 3 0 [173][M+2]+ 35 11.0122641685755 -32.5382171328951 0.000883980942678164 +M427.234T1016 427.234304102687 427.231015688179 427.235007839814 1015.82661170386 1015.57165562104 1016.1374213688 4 3 1 [175][M]+ 5 35.1717029153289 -2.49837834344093 0.129705316491588 +M427.245T1012 427.244982902343 427.240598675381 427.24586909655 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 946 51.5316144148597 -3.59230283811063 0.0694729636251372 +M427.327T843 427.326840378703 427.323586537183 427.327961644313 843.364397316131 843.327373818339 843.713528289696 3 3 0 [174][M+2]+ 13 2.69182387528581 -3.92998200642773 0.0579292477655389 +M428.15T843 428.149643231469 428.146382664729 428.150239787823 843.360044021312 842.832206055839 843.838900967155 30 3 27 [169][M+3]+ 13 3.19077503421262 -31.6369203181009 0.000238699611561533 +M428.149T786 428.149334745285 428.145659159215 428.150525837487 786.223576474321 786.162010959737 786.536720855682 3 3 0 [171][M+3]+ 57 10.6093586385911 -30.4839678952747 0.000911947495200405 +M428.223T166 428.222703832282 428.220504229031 428.22343904852 165.518884984896 157.239176636231 177.625592843674 26 0 21 [M+H+NH3]+ 410.188 4 3462.44827676013 9.33878354219447 8.63710436505016e-10 +M428.239T1015 428.239039167874 428.238342593889 428.239357618548 1015.45673315241 1013.75803223389 1015.57165562104 3 3 0 [175][M+1]+ 5 42.648161611437 -1.85549798010345 0.204654927243001 +M428.249T1012 428.249287559748 428.249055610249 428.249519509247 1012.1026110576 1012.05413212206 1012.15108999315 2 2 0 947 29.7016704562113 -3.40436030241726 0.0764579982113069 +M428.259T481 428.259107822136 428.25525526576 428.259863157687 481.308518711109 480.856545600275 481.913987702593 30 3 27 220 1.02457132666021 0.288680317440267 0.799065355942545 +M428.315T1035 428.315439050648 428.310557294269 428.315965024517 1034.90876177762 1034.45343237718 1035.92043532313 30 3 27 541 1.13705988655197 -1.58923472125627 0.215465254678331 +M429.09T503 429.089561299665 429.087354488728 429.090134586623 502.750838992739 488.529280880128 503.52636038996 15 0 14 [M+Na]+ 406.102 65 85.8015121113788 4.09172542024407 0.000367012566781622 +M429.248T981 429.247687553162 429.245436576304 429.249682909895 981.491846254602 975.977426279995 987.287549949513 4 3 0 811 54.5410426910336 -2.85957249394139 0.103615851404062 +M429.262T1020 429.261904169983 429.258012527974 429.262224184362 1020.23281304553 1019.89834480738 1020.36168253239 3 3 0 524 24.4564117206411 -4.10154816574357 0.054575145101706 +M430.253T415 430.253457644188 430.249798961872 430.253642213396 415.144196611949 407.070888354341 421.179335637494 4 3 0 [176][M]+ [M+H]+ 429.246 168 26.1287751501843 -5.02934934651781 0.0372999116039192 +M430.249T976 430.249255231599 430.247724146381 430.250786316818 976.242374994324 976.048782626767 976.435967361882 2 2 0 1047 7.65694689284094 -4.31819006529275 0.0495267530166092 +M430.254T350 430.254064168138 430.252679208916 430.255520704913 349.891199215221 341.962019433446 368.300676699385 19 2 16 113 16.3333478511159 -2.15465872140104 0.163972262266626 +M430.263T1020 430.263164632891 430.261293275286 430.265035990497 1020.06557892645 1019.89834480738 1020.23281304553 2 2 0 [175][M+2]+ 524 17.1242626239947 -4.95956769811507 0.038171513095044 +M430.939T41 430.939161430977 430.936091434398 430.944226347257 41.4031420101191 35.7928970728444 47.5961538949739 4 3 1 234 10.9671007493882 -1.36562990357363 0.305337467005702 +M431.074T1026 431.073710756553 431.069938108481 431.074553526636 1026.06719802954 1025.84292298999 1026.37444661954 10 2 8 522 1.68397730328871 -1.26944008425855 0.327638915992226 +M431.074T161 431.07406347983 431.070389043036 431.07484199553 160.794388540398 156.108267819699 162.911076085025 22 0 21 [M+Na+CF3COOH]+ 274.083 [M+K]+ 392.11 4 29.5127717017278 9.63997113981491 3.99630550873553e-10 +M431.155T966 431.15529080743 431.152249040811 431.155629807517 965.840735209643 965.777601921917 966.233020436703 3 3 0 91 11.7031677521626 -8.76231658766668 0.0126632619149203 +M431.257T346 431.257154214954 431.252780534581 431.257255800373 346.102018319176 338.631185875972 367.620457924994 4 3 0 142 13.3605410979191 -6.43954187654898 0.0231477007219132 +M431.256T416 431.256141978224 431.252999454029 431.257106664682 415.911610023714 407.070888354341 420.499357837104 3 3 0 [176][M+1]+ 168 16.1116651528494 -3.59547213550363 0.0693288331554853 +M432.214T966 432.21397044246 432.209484537847 432.214073722298 965.840735209643 965.777601921917 966.233020436703 3 3 0 [M+H+NH3]+ 414.18 91 19.091124389018 -10.9711103386686 0.00815867948864257 +M432.249T843 432.248552288194 432.24501756444 432.248966079324 843.43842047327 843.038688530069 844.020825281978 30 3 27 [177][M]+ 13 2.87990892136883 -4.83481294082346 0.0394300152983742 +M432.248T953 432.248389678249 432.244930180333 432.248697313137 952.895420812048 952.891109261759 953.278373758428 3 3 0 [M+H+NH3]+ 414.215 75 50.5759677825187 -19.8499551012135 0.00250290004430598 +M432.248T786 432.247922558313 432.24472513639 432.248541585995 786.223576474321 785.476465903741 786.536720855682 3 3 0 57 56.460347676268 -7.69200680730492 0.0164601167483549 +M432.261T936 432.261324288157 432.257272973594 432.261411070155 936.073154740285 935.849948033231 936.489435405805 3 3 0 35 18.6725785013036 -7.82426669706922 0.0159394493141574 +M432.289T290 432.28860746204 432.286527159539 432.290687764541 289.866058958771 282.314004547252 297.41811337029 2 2 0 1308 4.64431936650785 -5.1747512182364 0.0340020985024578 +M433.016T1058 433.015837442164 433.012264211592 433.01635234763 1058.40684254456 1039.07311518529 1086.23204454721 56 1 22 451 4.66338218216624 -1.14771946159933 0.369239080461084 +M433.016T1007 433.015685937129 433.012248650033 433.016481259886 1006.70106935897 966.074637735192 1038.99995801215 78 1 26 50 1.21779162662353 -1.24418468634059 0.229708712454664 +M433.015T1373 433.015082075565 433.010049200705 433.015657795254 1373.31238164873 1371.03434471191 1374.48691290555 26 3 21 [178][M]+ 32 1.12089401293406 -0.941591075971225 0.413440170123335 +M433.015T804 433.014843961467 433.011080490932 433.015472738849 803.675304282302 802.710665011842 837.089033345866 11 2 6 61 1.07659633386917 -0.479717874015802 0.677783152126223 +M433.015T868 433.015046319219 433.014864505174 433.015228133265 868.213374453357 867.381853913999 869.044894992715 2 2 0 9 1.05540517879668 -0.46929067028284 0.683195382755611 +M433.1T457 433.100367704885 433.098322405869 433.100858050012 456.740080510953 456.283771684418 457.094007940588 27 0 27 [179][M]+ [M+K]+ 394.135 27 1090.89055532782 15.6366615614407 9.76996261670138e-15 +M433.178T167 433.178242692043 433.175526025514 433.17952956685 166.548711646014 154.491036947954 183.223061792969 35 0 22 [M+Na]+ 410.188 4 3047.15999515759 7.10266003627425 1.52666377317701e-07 +M433.212T966 433.212135238583 433.210757336425 433.213513140741 966.036877823173 965.840735209643 966.233020436703 2 2 0 [M+H+NH3]+ 415.182 91 3.63732954286098 -7.84718382632893 0.0156577356874441 +M433.252T843 433.25172800718 433.247844476011 433.252593618842 843.458878652367 841.685995688113 844.765041888734 30 3 27 [177][M+1]+ 13 3.07131467858636 -6.37959502078309 0.0226234973176906 +M433.251T953 433.251425163321 433.248535765613 433.251871433418 952.895420812048 952.891109261759 953.278373758428 3 3 0 75 8.04482462470657 -14.1662024562357 0.00491598215708988 +M433.271T1035 433.271019657171 433.266544944546 433.273187644365 1035.04109348226 1034.52039314445 1035.92043532313 26 3 23 542 1.06154339943123 -0.535696814497076 0.630435908708062 +M434.018T1373 434.017733150988 434.01082795104 434.01858742638 1373.12522299833 1371.09160528789 1373.80287843811 22 2 20 [178][M+1]+ 32 1.12592440238876 -1.09603101055808 0.35327999381805 +M434.103T457 434.103403836238 434.101381026045 434.104008322317 456.748162683004 456.283771684418 457.094007940588 26 0 26 [179][M+1]+ 27 Inf 15.5911093402491 1.04360964314765e-14 +M434.128T47 434.127637696125 434.126225993497 434.128926081319 46.9167626129348 46.011148410066 47.5076521863391 18 0 18 [3M+H+K]2+ 276.096 55 Inf 8.36070492776443 7.66083085856906e-09 +M435.081T375 435.080776816715 435.078719319178 435.08371552934 375.441887646038 374.813286995561 383.73340502302 28 0 23 [M+K]+ 396.116 100 337.708956599069 6.33663871864221 1.03811503837647e-06 +M435.116T458 435.116070869074 435.111946202266 435.11949898986 457.534574632036 456.304761030678 458.994931798389 23 0 23 [179][M+2]+ 27 122.771391427872 14.9297972687143 2.70894418008538e-14 +M435.139T435 435.139302397811 435.136734859977 435.140383364132 434.79018908048 399.285134669638 441.084223117043 56 0 27 51 481.378751119965 12.3898591122573 2.04636307898909e-12 +M435.26T1082 435.260034122774 435.257015305597 435.262484189705 1081.66343995331 1080.60703479771 1082.07473084456 4 3 1 707 6.21962717694693 -1.92397673566708 0.192680103395712 +M435.319T440 435.319454835101 435.316434064738 435.322416409231 440.320916311333 433.818818726548 441.084223117043 49 0 25 [180][M]+ 99 894.039537003369 13.7752369035093 1.85407245112401e-13 +M435.398T440 435.398228781068 435.395570784822 435.400764085275 440.320916311333 434.004865420955 440.976298719212 27 0 21 99 Inf 12.3009261783268 2.41606734618927e-12 +M436.143T440 436.14285034166 436.140817901565 436.143531519917 439.556079885505 433.935922604206 441.084223117043 55 0 27 [181][M]+ [M+H]+ 435.135 99 704.240886543832 13.6115175916277 2.43804976207684e-13 +M436.323T440 436.323214566352 436.321496741635 436.324382020197 440.346153831646 435.087773581199 440.976298719212 17 0 16 [180][M+1]+ 99 Inf 12.4806052622566 1.74682490694522e-12 +M436.953T1381 436.952735103967 436.951796931525 436.953396713574 1381.30797276504 1379.95740293048 1382.37687345792 14 0 14 [M+Na]+ 413.963 62 1.75269055694151 1.92391517403766 0.10900564209223 +M436.955T38 436.954729412681 436.950447794223 436.955196131405 37.9955125711577 37.4373567146572 38.0683458478762 6 3 3 [M+2H-CH4]2+ 887.927 1 1.49982468102078 -1.04745505293762 0.39404754054015 +M436.99T76 436.989540414167 436.986396903675 436.992683924659 76.0158513486475 76.0054540769532 76.0262486203418 2 2 0 1222 7.4504078134664 -9.06357043690391 0.0110716091816245 +M437.145T440 437.144729969451 437.14269679427 437.145510567991 440.392389005322 433.644063855183 441.084223117043 44 0 25 [181][M+1]+ 99 268.660224305109 15.3573048759002 1.46549439250521e-14 +M437.155T490 437.15470877006 437.152340421289 437.155260475314 489.744985447743 469.683333517727 493.823768624616 32 0 27 [182][M]+ [M+Na]+ 414.163 [M+H]+ 436.146 108 739.463557932164 11.1809012140477 1.97444283145387e-11 +M437.154T556 437.154372733611 437.151773469106 437.155323214219 556.176926173563 555.599813891336 556.530524819833 24 0 24 1105 134.954242244327 6.93614959442062 2.28467739837868e-07 +M437.16T1035 437.160418241707 437.15744012199 437.160621215057 1034.56843699327 1034.28930083356 1034.73137004954 3 3 0 [M+K]+ 398.197 526 13.045491839951 -2.61734709037227 0.119929791901722 +M437.169T966 437.16892715884 437.167218225864 437.170676149648 966.153611705553 965.465325107768 966.40356851995 11 3 8 [183][M]+ [M+Na]+ 414.18 91 19.0663435665897 -21.740886079666 0.00204127940370058 +M437.183T1007 437.182636374385 437.180798818289 437.184473930482 1007.45887722796 1007.28268974998 1007.63506470594 2 2 0 1133 8.70140435496371 -3.1106836117155 0.0892245108492453 +M437.19T995 437.189521152729 437.189074433921 437.191761887134 994.742469356561 994.34361007001 995.103538809742 3 3 0 1048 13.2636509421076 -5.89551797491834 0.0273209695784147 +M437.199T971 437.199112925996 437.198912581285 437.199313270706 971.251472487329 971.217311827399 971.28563314726 2 2 0 1310 11.7623760852912 -6.32633666602125 0.0239827037286473 +M437.204T898 437.203818961617 437.201019866868 437.204619211887 897.852067165059 897.838301226802 898.399928827901 3 3 0 1383 10.989228894246 -29.6241589564992 0.000944488808940713 +M437.204T953 437.204131094717 437.201454055826 437.204838274975 952.872527368973 952.342114161462 953.469330697982 30 3 27 [184][M]+ [M+Na]+ 414.215 75 21.5596417109461 -24.5632330738813 0.00158317363372174 +M437.385T953 437.384763164123 437.38235020341 437.385336022346 952.895420812048 952.891109261759 953.278373758428 3 3 0 75 48.8369641718896 -9.70459636649336 0.0104290784204419 +M438.158T490 438.158020943095 438.155444887641 438.158430387783 489.832334577627 489.456675670168 490.260672326152 25 0 25 [182][M+1]+ 108 Inf 11.1789151331749 1.98285832198053e-11 +M438.174T966 438.173719441033 438.169784472263 438.173801216818 965.840735209643 965.777601921917 966.233020436703 3 3 0 [183][M+1]+ 91 14.760746781345 -30.2373252524318 0.000944027273383163 +M438.207T953 438.207350162815 438.204364502167 438.20834212075 953.199172605202 952.48937428604 953.469330697982 11 3 8 [184][M+1]+ 75 21.2209924990242 -27.787891596902 0.00125090771781977 +M439.108T460 439.108310442338 439.10666915232 439.109689335843 459.772846357739 453.960066490894 462.154939233791 29 0 27 121 591.04505898571 19.3359878670653 0 +M439.126T699 439.125599917845 439.122116016972 439.12648635236 699.138375981357 698.731227237088 716.825440997438 5 3 0 [M+K]+ 400.161 227 32.6492748108305 -20.1655271232717 0.00239834121717952 +M439.135T351 439.135124285629 439.133567735647 439.136588708234 350.67804219757 350.229229212178 351.324093729213 17 0 17 1306 1509.34900391941 6.52485909215182 6.44568767249609e-07 +M439.162T900 439.161806560416 439.158424069945 439.16299415128 899.87712169618 899.202847835523 900.432079981034 3 3 0 [M+K]+ 400.196 217 7.42598273942024 -18.0588989990158 0.0029369592738544 +M439.21T953 439.21032888649 439.206495901443 439.214610442344 953.278373758428 952.891109261759 980.451255353889 5 3 2 [184][M+2]+ 75 9.11995262128576 -14.3299421595395 0.00146367520228985 +M440.419T1040 440.419374867467 440.417748670081 440.421393457369 1040.06440614252 1031.53734061795 1078.58103808562 12 3 6 [185][M]+ 545 28.2849324772413 -1.51525187935458 0.26888836984547 +M441.024T66 441.024176818317 441.023202351644 441.026125541503 65.8431369952593 64.6358306790403 82.2371269047408 23 0 22 [M+K]+ 402.066 2 40.111768439273 4.75884958692582 6.33612232525671e-05 +M441.101T43 441.10137257938 441.098699440952 441.102394974006 42.7347472707065 42.0287371994674 43.2629180555523 26 0 25 [186][M]+ 402 24.3716378404405 7.78161698480225 2.90602100161408e-08 +M441.141T788 441.141429491541 441.137462650122 441.143567089812 787.842938143845 758.8374090866 817.816096471196 32 3 19 1176 5.15303728328074 -31.6878113289089 0.000474556830441841 +M441.422T1035 441.422247985914 441.420714329746 441.424165314775 1035.03783162274 1031.53734061795 1046.76769014988 3 2 1 [185][M+1]+ 570 33.598202529749 -1.2631617250633 0.333819081327116 +M442.105T43 442.105477975596 442.101820696282 442.10660789278 42.6938078168002 42.0229504541062 43.4117307350661 21 0 21 [186][M+1]+ 403 27.1548408415278 7.97532296334466 1.80307482278153e-08 +M442.143T818 442.142699414424 442.14158352652 442.143815302329 817.518013154354 817.263042366896 817.772983941812 2 2 0 125 10.1487585880917 -5.54071470283807 0.0309965709626745 +M442.97T1378 442.970203696001 442.967810278874 442.970533788041 1377.92847674685 1377.05716815358 1388.47107620571 32 3 27 [187][M]+ [M+Na+CF3COOH]+ 285.979 82 1.00491065216333 0.0728605107599161 0.94752300342167 +M443.06T117 443.059845070383 443.057270968626 443.062419172139 116.835791527884 116.233284013787 117.438299041981 2 2 0 693 48.4013461201547 -2.52899147766371 0.127178349887839 +M443.129T44 443.129413813102 443.125025321975 443.131446298255 43.9388724066866 42.8674988290866 44.7959837045239 15 0 15 55 50.7388586959672 8.35719769543003 7.42950634347039e-09 +M443.229T986 443.229018954661 443.226743436437 443.231294472886 986.093597247031 985.932523452266 986.254671041796 2 2 0 1049 9.18611740255697 -2.85363155131636 0.103672887095097 +M443.973T1378 443.972507024398 443.968784358611 443.97308881564 1377.86225809517 1377.00612914701 1379.14601766967 30 3 27 [187][M+1]+ 82 1.11375978911094 -0.828544804312117 0.482397640855119 +M444.97T1374 444.970457900514 444.967750979762 444.971433128722 1374.07723257203 1373.30463731673 1375.16394797962 30 3 27 32 1.02846586266225 -0.424522795705655 0.704817586978942 +M444.975T55 444.975385544017 444.970645927912 444.979617470748 55.0860078976453 44.0422761983566 55.6652699370759 14 3 10 432 2.81933553642426 -4.29558262477911 0.0317828536813707 +M445.157T523 445.157300458052 445.155178577975 445.157782450368 522.513874605984 521.877128985805 523.66590125938 26 0 26 [188][M]+ [M+Na]+ 422.168 58 188.568333358936 9.57095348787803 5.22938137237361e-10 +M445.244T844 445.244373225559 445.240517096245 445.2447456855 843.51782824141 839.169309295954 847.560197106674 33 3 27 [189][M]+ [M+H-COCH2]+ 486.248 13 2.65294240036477 -2.67806284988941 0.115565258900032 +M445.244T892 445.243994472364 445.240439687589 445.244210543473 891.776760270138 891.026862053041 892.292987829307 3 3 0 [190][M]+ 56 12.7822258025437 -19.8290885900869 0.00239623296843527 +M445.244T786 445.24365662229 445.24015181925 445.244107206204 786.223576474321 785.476465903741 786.536720855682 3 3 0 [191][M]+ 57 23.7264616171287 -47.9836839103113 0.000373432716119115 +M445.246T929 445.245541691292 445.241681714971 445.246267331737 928.7094502622 928.155510430781 928.984709601763 3 3 0 855 22.9602297139813 -15.6413009976293 0.00392921515149935 +M445.256T936 445.255529392721 445.253470692141 445.257351516956 936.091640498979 935.778220116107 936.477368055202 28 3 25 [192][M]+ [M+H-COCH2]+ 486.259 35 27.6215926397645 -22.9074572925048 0.00188751632978468 +M446.161T522 446.160747282903 446.157800939483 446.161332295813 522.472462970284 522.155743272048 522.855944307753 18 0 18 [188][M+1]+ 58 434.787764123425 9.71768220106942 3.79716480480852e-10 +M446.239T903 446.238559134988 446.236895281082 446.239006666608 903.265763367427 901.779314129919 903.89417454988 14 0 14 [M+Na]+ 423.249 148 3.74242791063452 4.53700329836922 0.000134971734167655 +M446.239T877 446.238796991905 446.236568202619 446.243693839156 877.347256938721 875.698190484487 891.026862053041 25 1 24 766 2.3090717380401 2.24950910788871 0.0888245935047425 +M446.248T844 446.247679700272 446.245404709435 446.248555659151 843.539478095591 842.36169312948 845.409928599082 30 3 27 [189][M+1]+ 13 2.8609802974258 -7.09631780624396 0.0189918842762786 +M446.246T786 446.246324027746 446.243147913515 446.247353639489 786.223576474321 786.162010959737 786.536720855682 3 3 0 [191][M+1]+ 57 33.7695611604034 -54.5523147687116 0.000261474124580108 +M446.247T892 446.247403011015 446.24715786512 446.24764815691 892.034874049723 891.776760270138 892.292987829307 2 2 0 [190][M+1]+ 1174 8.84984502159032 -14.1919813108081 0.00462746656799307 +M446.26T936 446.259656725162 446.256750321522 446.260442034863 935.849948033231 935.806049981305 936.073154740285 3 3 0 [192][M+1]+ 35 19.810421590883 -28.7099615035714 0.00119548030565308 +M446.966T1374 446.966306183719 446.964105868253 446.967309222345 1374.07723257203 1373.09972776789 1375.02302774539 30 3 27 [M+K]+ 408.01 [M+H+K]2+ 853.979 32 1.10737436234014 -2.62534426895819 0.0262721612799943 +M447.103T388 447.102713712501 447.101005839327 447.103503334065 387.751968662548 379.848871469971 388.388267641636 21 0 15 [M+Na+K-H]+ 386.157 143 412.24468512557 4.45688468863257 0.000140924649253193 +M447.181T969 447.181153379565 447.17706132151 447.181378326395 968.563462569569 968.497463506907 968.957748938878 3 3 0 [M+H]+ 446.174 167 22.395958284159 -16.4279650110392 0.00365312065333812 +M447.217T992 447.217275290623 447.213586740892 447.217409375744 992.301881137476 992.031557682046 992.379985088427 3 3 0 1050 41.635186375873 -21.0963853992154 0.00221960146163136 +M447.251T843 447.250585615795 447.248721932232 447.251807467209 843.484290987964 839.86292245441 844.108994646861 25 1 24 [189][M+2]+ 13 1.68849392490216 -2.74720865443906 0.107967071688873 +M447.262T936 447.26234575935 447.259822553158 447.262635238781 936.073154740285 935.806049981305 936.551896888993 3 3 0 [192][M+2]+ 35 9.1271228393631 -10.3987544386185 0.00903826514659078 +M448.056T457 448.056463665255 448.055367961369 448.057330285658 456.748162683004 456.005943323781 457.794458752248 22 0 22 27 427.237810667975 17.8991523712105 4.44089209850063e-16 +M448.147T606 448.147226480588 448.145146909013 448.1478836988 605.749494659428 605.387970841618 606.28498526258 14 0 14 [3M+3Na-H]2+ 276.123 163 68.3307416447145 6.82771210931057 2.86586630871e-07 +M448.255T980 448.2546716544 448.252611884842 448.255120821328 980.47286283458 963.595090812021 981.037139754267 19 0 17 812 32.5768479783821 7.0627632670688 1.62319578222991e-07 +M448.984T1373 448.984081921935 448.980461859885 448.986858851002 1373.38692788675 1371.77865088984 1374.7203176411 30 3 27 [M+2Na]2+ 851.984 [M+2Na]2+ 851.984 32 1.16303602796599 -1.21132878184478 0.330021276311373 +M448.989T974 448.988906682778 448.98747818559 448.989953221995 974.322108813262 945.969375092034 1015.84389738151 13 2 5 1051 2.6992060091666 -2.57314436528889 0.122581366138506 +M449.064T457 449.063566814037 449.062045227178 449.064459802654 456.810639148407 456.283771684418 457.117927367498 25 0 25 [M+2K]2+ 820.21 27 195.182040980051 17.818718994208 4.44089209850063e-16 +M449.156T167 449.156019999999 449.153388832732 449.156939137868 166.976603690771 154.491036947954 171.026649507258 16 0 14 [M+K]+ 410.188 4 Inf 6.71555174798746 3.99054998379e-07 +M449.189T380 449.188806094701 449.187144283065 449.189519413967 380.32640849677 379.61649230703 381.879309303007 27 0 27 [193][M]+ [M+Na]+ 426.199 71 3512.40992944618 6.21231992874873 1.42702562921926e-06 +M449.298T1060 449.298087320472 449.294712185924 449.299684677625 1059.59550186435 1053.95635073339 1059.86299007658 4 3 1 452 2.52754849601686 -1.11371262444377 0.380870487731857 +M450.192T380 450.192120807131 450.190324463275 450.193291897537 380.334647869545 379.495618288461 381.331529834424 27 0 27 [193][M+1]+ 71 Inf 6.0475937639665 2.17788535827879e-06 +M450.273T941 450.27285146001 450.270534552084 450.274080685299 941.417127453369 935.116741053263 962.48004882867 44 0 26 1266 70.1776323653082 6.46687602397592 7.41801891690486e-07 +M451.177T962 451.177262683808 451.175235580223 451.184375800121 962.321244026193 961.095097987356 977.114639456975 51 3 27 93 1.88261279932998 -5.91927427744708 0.0138686441152442 +M451.196T1005 451.195845721565 451.193559891093 451.197676999238 1004.60012081852 1004.23481142933 1019.21620463867 4 3 0 1134 9.44834113535183 -7.4552988733121 0.0171638476110605 +M452.139T41 452.139252576683 452.137115065807 452.139821989605 41.468509749347 40.7991322550327 41.7837440863734 19 0 19 404 2082.34027861355 9.72827795129784 3.74904551847521e-10 +M452.234T344 452.23390657362 452.231436348992 452.236175719466 344.266316824976 338.631185875972 347.722713453867 4 3 0 [194][M]+ [M+Na]+ 429.246 142 15.0975399998381 -5.32126552631826 0.033504272568357 +M452.236T415 452.236051927204 452.231989635522 452.236286560991 415.144196611949 407.070888354341 420.499357837104 4 3 0 [M+Na]+ 429.246 168 19.9412800943461 -4.74636036554651 0.0415907063952141 +M452.234T367 452.233647363879 452.231091333607 452.236203394151 367.030059440339 365.759442181293 368.300676699385 2 2 0 1328 8.61004562960823 -6.58369331466111 0.0221609998548822 +M452.289T990 452.289152861541 452.286340481553 452.289747329662 989.737472246686 988.117350870489 1001.37094554076 53 0 27 [195][M]+ [M+H]+ 451.282 1014 91.5110061250848 9.10896759103326 1.38604372423856e-09 +M452.471T989 452.471118299289 452.468991811049 452.471662360178 989.200273321676 988.117350870489 1000.63879444839 17 0 15 1014 Inf 7.11220391952096 1.49135832572256e-07 +M452.926T1383 452.926095925688 452.924679409501 452.927163187279 1382.92143664115 1382.1352320181 1384.41803197993 30 3 27 [M+K]+ 413.963 62 1.0669819274875 -0.534056892875877 0.640258846430018 +M453.146T41 453.146403110813 453.144532997999 453.147098941086 41.3218956694961 40.7991322550327 41.7487036638163 23 0 23 405 1100.95599529524 13.3420901984644 3.84359211125229e-13 +M453.145T966 453.144513648184 453.141429931153 453.1449207044 965.840735209643 965.777601921917 966.233020436703 3 3 0 [M+K]+ 414.18 91 40.7500214043476 -26.1062122141067 0.00137879969643029 +M453.179T953 453.178670937151 453.175505948408 453.179298501376 952.899717036729 952.342114161462 953.920806065898 30 3 27 [196][M]+ [M+K]+ 414.215 75 30.4904060048642 -45.2562357756731 0.000464001250921164 +M453.18T898 453.179788116576 453.176483666637 453.18017932881 897.852067165059 897.156402956694 899.078182021708 3 3 0 1384 2.42585910087607 -11.3712203017221 0.000372656590830633 +M453.237T344 453.23722471045 453.235315248209 453.23913417269 343.516621735384 338.631185875972 348.402057594796 2 2 0 [194][M+1]+ 1334 18.2939660898635 -6.06202283126741 0.0259720543089292 +M453.292T990 453.292121571975 453.289972490287 453.292806229331 989.540121494506 988.117350870489 1001.18516467051 44 0 27 [195][M+1]+ 1014 66.6688246335088 8.785317154352 2.80749468117847e-09 +M454.147T966 454.147463214883 454.14411190203 454.147837078361 965.840735209643 965.777601921917 966.233020436703 3 3 0 [M+K]+ 415.182 91 10.9313438350607 -51.2803774937838 0.000198551173291595 +M454.182T953 454.181952911828 454.178280698062 454.182018525994 952.895420812048 952.891109261759 953.278373758428 3 3 0 [196][M+1]+ 75 23.9948790159172 -39.4313794191376 0.000621894048549176 +M454.295T989 454.295188580882 454.292525167981 454.297868672887 989.200273321676 988.117350870489 1000.32568930699 21 0 20 [195][M+2]+ 1014 32.5519296484039 8.6426725442889 3.87370069354631e-09 +M454.305T1040 454.30480845033 454.302551942286 454.305867448761 1040.1539918235 1039.11341804032 1040.80562558548 27 0 27 [197][M]+ 571 81.2112133430202 6.1324727753275 1.74111549511302e-06 +M455.105T571 455.105366598209 455.102978246892 455.105964114302 570.689603375748 569.963757215418 571.229365931145 27 0 27 1106 528.541005119917 15.3257180322296 1.55431223447522e-14 +M455.18T953 455.180142712028 455.176911735005 455.180355570198 952.895420812048 952.891109261759 953.278373758428 3 3 0 [196][M+2]+ 75 19.7245589586396 -81.0139776443377 0.000113883327863995 +M455.308T1040 455.308038948539 455.305647610532 455.308505237515 1039.94504070312 1038.95245803055 1040.59422481987 17 0 17 [197][M+1]+ 572 18.7456525855444 5.9399493695455 2.76226086093345e-06 +M456.182T953 456.181633732302 456.177811676418 456.182618699069 952.895420812048 952.891109261759 953.278373758428 3 3 0 [196][M+3]+ 75 17.1813249607269 -40.8463132981717 0.000343477901781686 +M457.122T438 457.121702239273 457.115673438291 457.122464244262 438.095190819938 429.663625712064 441.084223117043 57 0 27 [M+Na]+ 434.131 97 458.017764274221 14.4605844821865 5.99520433297585e-14 +M457.258T1035 457.257995982626 457.253787350649 457.258414981512 1034.56843699327 1034.28930083356 1034.73137004954 3 3 0 526 12.2158315369337 -2.50663950604783 0.128827727538318 +M457.29T1041 457.289584547688 457.286726098397 457.290516275799 1041.47969837879 1040.89203994819 1042.05356660394 26 2 24 543 1.2360474310614 -0.96396241061291 0.425245631565604 +M458.125T440 458.124819069387 458.122507793194 458.125414777782 440.33353507149 433.787090229931 441.084223117043 48 0 26 [198][M]+ [M+Na]+ 435.135 99 794.568163570195 17.3094835344064 8.88178419700125e-16 +M458.27T445 458.270242800571 458.267890100262 458.270956719673 445.264317551574 444.735847711086 445.856041973065 26 0 26 [M+H+NH3]+ 440.236 177 134.267153971748 7.91600987262454 2.14865578662682e-08 +M458.36T1081 458.359728317175 458.356161673563 458.360279467235 1081.02017113643 1080.73188221297 1081.55119785344 30 3 27 [199][M]+ [M+H+NH3]+ 440.326 8 6.86894243416162 -2.48591736951015 0.129207520417895 +M459.113T41 459.113005150016 459.112224136977 459.115441983607 41.0962438472925 40.5581237525204 41.621021958161 21 0 21 406 66.0450332572047 5.58363628415445 7.16294962499475e-06 +M459.125T440 459.124947056624 459.122998044074 459.126538640136 440.320916311333 433.787090229931 441.084223117043 39 0 25 [198][M+1]+ 99 207.130516586733 18.4494252352428 2.22044604925031e-16 +M459.137T556 459.136911560777 459.134575681451 459.13751509653 556.054924860378 555.599813891336 556.376947671503 25 0 25 1107 657.797847854488 6.89775895275985 2.53188231047474e-07 +M459.208T202 459.207715477719 459.204501504201 459.208554002277 202.000762174209 196.219552519936 232.637939935616 16 0 14 1260 Inf 5.80500720547203 4.07695959792065e-06 +M459.361T1081 459.36144629153 459.357942842239 459.363130560704 1081.19095128795 1080.60703479771 1081.56815099031 12 3 9 [199][M+1]+ 708 6.57437935341499 -2.56057889985688 0.122963522749094 +M459.972T1385 459.971909308633 459.969263786185 459.972478898064 1385.36138499343 1379.72162416761 1392.57806233753 34 3 25 1081 1.04348770017298 -0.271288715154333 0.807800192965068 +M460.278T844 460.277886015504 460.275252688202 460.279090864769 844.020825281978 843.713528289696 844.065634599876 3 3 0 13 2.60543936139326 -8.04366056625263 0.0143124338419947 +M460.28T953 460.280091661503 460.27620111917 460.280113159689 952.895420812048 952.891109261759 953.278373758428 3 3 0 75 12.64416887001 -5.95254107374975 0.0270723900908023 +M460.365T1081 460.365498947788 460.361518278231 460.366372477563 1081.39099554022 1080.60703479771 1081.56815099031 3 3 0 [199][M+2]+ 709 4.56206468728242 -2.14906672846188 0.16158013451069 +M461.128T41 461.12756937694 461.125846627278 461.128318848624 40.8502777707722 40.5656037034849 41.4770808859824 15 0 15 407 443.723013534921 6.97010697121204 2.11581417719486e-07 +M461.136T523 461.135611750427 461.132986786235 461.13717237824 522.534491920986 522.155743272048 523.133327801965 25 0 25 [M+K]+ 422.168 58 488.051724229978 8.67492522027398 3.73890873817118e-09 +M461.153T328 461.152515260668 461.147368422947 461.153629984532 328.162845122501 327.486636614504 339.453622925585 27 0 24 [M+Na]+ 438.162 147 Inf 9.34578899686806 8.50817194475439e-10 +M461.166T990 461.166023576148 461.16310116161 461.167237901366 990.298982498257 989.998304168691 1003.55716057797 4 3 0 [200][M]+ 1029 27.0322637166461 -5.92963186207818 0.027234480359277 +M462.17T990 462.169670116526 462.165943011472 462.169683695857 990.260410337264 989.998304168691 990.337554659251 3 3 0 [200][M+1]+ 1052 25.8368367402244 -4.97900997018992 0.0379936077543115 +M463.114T516 463.113536165332 463.111348450906 463.114057022347 515.788823050464 515.491979177328 516.350300468735 27 0 27 [201][M]+ 126 272.131220632329 8.84356254455957 2.55550469674404e-09 +M463.113T535 463.113484840244 463.111400842011 463.113829914212 535.29687499629 534.839688915384 535.850343324808 27 0 27 [202][M]+ [M+H-C6H10O5]+ 624.162 47 343.557639178178 10.0027873430783 2.10624184759922e-10 +M463.134T378 463.133945408606 463.132202551125 463.135539347441 377.692116876882 369.527493407391 397.031772035881 25 0 18 187 118.983901102631 7.23685748103359 1.09788070634664e-07 +M463.14T776 463.139513835366 463.135434125035 463.140273850484 775.932452335572 775.899812864784 776.938970273283 3 3 0 190 3.31501110986011 -16.2831586861451 0.00276157083734274 +M463.15T496 463.149798546507 463.147515898856 463.150214622166 495.716617024006 494.506412328565 496.211127422098 27 0 27 [203][M]+ 111 256.635996273006 10.4563112527562 8.30464585988011e-11 +M463.15T434 463.149769718126 463.147753607957 463.150455137041 433.529780447301 432.642152475214 434.44424197346 26 0 26 1360 173.76445546032 10.8022366969186 4.14668299697496e-11 +M463.149T665 463.149405374638 463.147395403657 463.15020526427 665.289746289053 649.360994804834 666.119921415963 33 0 18 [M+H-C6H10O5]+ 624.198 152 19.9977895718379 5.05565584376453 2.71756967018533e-05 +M463.15T731 463.149521716466 463.147074036096 463.149919299789 730.626148404346 729.941954580241 731.066542510408 18 0 18 64 26.3838893189942 4.66741107533319 8.02260660472953e-05 +M463.225T445 463.225094174528 463.222901719757 463.226142519181 445.129106847403 444.735847711086 446.003296402774 20 0 20 [M+Na]+ 440.236 177 Inf 7.75523569467608 3.15183008581243e-08 +M463.315T1081 463.315403113005 463.310992011712 463.315902269723 1081.02017113643 1080.52620403101 1081.56815099031 30 3 27 [204][M]+ [M+Na]+ 440.326 8 6.0006012101556 -2.62870180063724 0.116896136721802 +M463.499T1081 463.498916801296 463.495345807592 463.502243982453 1081.24290756401 1081.0793914773 1081.56815099031 10 3 7 710 9.11906251215035 -2.19855222992975 0.158075092179056 +M463.582T1081 463.582444584215 463.580224759137 463.585340116798 1081.39099554022 1080.60703479771 1081.56815099031 3 3 0 711 7.1394141581635 -1.89253748253426 0.197734814102603 +M464.092T113 464.092193161213 464.08963282158 464.092867417724 112.739608459796 111.016981507453 116.541622797545 15 0 15 1229 281.364817746771 6.70023274023286 4.13851527270026e-07 +M464.117T535 464.116605993476 464.114373036221 464.117205716899 535.304807559665 534.800467389078 535.852914775958 27 0 27 [202][M+1]+ 47 1049.96133857071 10.0861550357235 1.76920256222957e-10 +M464.117T516 464.116946339814 464.11424638132 464.117641888893 515.796702820874 515.153624188589 516.386446552051 20 0 20 [201][M+1]+ 126 Inf 9.20127404638992 1.16515419534835e-09 +M464.153T496 464.152967127937 464.150725320809 464.153385581005 495.796080468539 495.224238716741 496.211127422098 26 0 26 [203][M+1]+ 111 524.385074835802 10.5584939651242 6.74060807170918e-11 +M464.208T969 464.207807013072 464.204064008525 464.207823064456 968.563462569569 968.497463506907 968.957748938878 3 3 0 [M+H+NH3]+ 446.174 167 38.142487144574 -41.3486087209427 0.000529649909044583 +M464.223T267 464.223183614214 464.220586125155 464.224113532957 266.822593365311 261.360320428289 289.93778580664 24 0 18 [M+H+NH3]+ 446.19 1284 Inf 6.26235959711263 1.25573704279347e-06 +M464.319T1081 464.31853969934 464.315275503602 464.319283862553 1081.03553922578 1080.73188221297 1081.56815099031 30 3 27 [204][M+1]+ 8 6.18546060414986 -2.59542417664627 0.119525843554516 +M465.141T116 465.140558462057 465.137719334324 465.14339758979 116.496451364443 116.233284013787 116.759618715098 2 2 0 694 5.80208964069102 -1.68457463213182 0.233538280721776 +M465.163T380 465.162545921205 465.160416750712 465.163670366334 380.413478970789 379.61649230703 381.879309303007 27 0 27 [M+K]+ 426.199 71 1766.52858861149 7.23206372243949 1.11161198690368e-07 +M465.186T260 465.185825633892 465.184376310322 465.189349338364 259.72946863493 255.30233580547 284.991121630719 21 0 19 783 Inf 9.07849678008331 1.52518864204865e-09 +M465.237T1048 465.236803950371 465.232860505301 465.238011499758 1048.33497459933 1034.05010827216 1049.19330434487 5 3 1 [205][M]+ 528 34.405502381742 -2.11081477739077 0.169188483596339 +M465.244T1062 465.244289256703 465.242159260625 465.24641925278 1062.09907172644 1061.89442233954 1062.30372111333 2 2 0 [M+H]+ 464.235 449 2.97216609648244 -1.24455829796541 0.337430790880839 +M465.32T1081 465.319827026226 465.317320998689 465.321441091877 1081.29857596842 1080.91180427824 1081.84257220262 12 3 9 [204][M+2]+ 8 5.98120690554047 -2.39628934011129 0.136591930416094 +M466.145T527 466.14514102595 466.143033524244 466.145742397884 527.178752272918 526.627296156946 528.040409220223 24 0 24 [206][M]+ 1089 83.5901222174889 6.07912350275765 1.98885251889713e-06 +M466.24T1049 466.24001704812 466.235878682043 466.240703081203 1048.66353579453 1048.11738771184 1049.01211655353 3 3 0 [205][M+1]+ 528 35.7101885217895 -2.22474871209778 0.156011486952186 +M466.304T883 466.304106591082 466.301751167476 466.304493653677 882.78870527394 881.873537267237 883.035450984138 17 0 17 [M+H]+ 465.297 181 178.206825568865 7.01268930587709 1.89768269986956e-07 +M466.304T996 466.304143501833 466.302170656 466.304892739639 996.477414411105 995.63713956929 1027.60312726425 23 0 16 38 49.5070995679829 10.331089728179 9.93316540132128e-11 +M466.304T909 466.303822347219 466.301684055078 466.304830801615 908.935500704119 907.956674835726 909.354276248978 14 0 14 1234 205.392505634498 6.62092091361502 5.06031736957624e-07 +M467.131T843 467.131260572628 467.128243930846 467.131869493991 843.327373818339 843.038688530069 844.065634599876 3 3 0 [M+H-H20]+ 484.152 13 4.88270594635962 -6.27574761180127 0.0238697122100811 +M467.148T527 467.147636790723 467.146052837059 467.148564965885 527.137924841213 526.714650315838 528.040409220223 15 0 15 [206][M+1]+ 1089 282.248196636998 7.07513520150413 1.62199907727256e-07 +M467.158T977 467.15804351324 467.155557585761 467.158444540994 976.728890497402 976.657184468809 977.114639456975 3 3 0 16 7.47092984777117 -8.91136395795219 0.0119357303179126 +M467.179T812 467.17869204299 467.176318467615 467.179240025014 811.806975280546 811.477968424446 813.079623749391 27 0 27 [207][M]+ [2M+Na]+ 222.095 60 21.2050575516801 42.3821088782359 0 +M468.182T812 468.181941208045 468.179662597782 468.182638677567 811.916417534869 811.413960498429 812.583915713742 24 0 24 [207][M+1]+ 60 23.384135240487 32.6546136296549 0 +M468.211T342 468.210548497452 468.205635670248 468.210571618485 342.439723267566 338.631185875972 347.722713453867 3 3 0 [M+K]+ 429.246 142 13.3003398491696 -6.29691632580752 0.024169961298671 +M468.208T412 468.207915776322 468.205975751075 468.20985580157 411.830903566742 407.070888354341 416.590918779143 2 2 0 1317 18.7169784443314 -4.6836837830439 0.0425713314227736 +M468.221T877 468.220838679802 468.219944259814 468.221608124237 877.308236825087 876.150023302299 902.890968252973 17 0 16 [M+2Na-H]+ 423.249 764 24.5721370401338 8.18305436771286 1.15252105636898e-08 +M468.32T984 468.320430369414 468.317663002175 468.321253705282 983.852999653544 967.518053361137 986.080201220635 33 0 27 [208][M]+ [M+H]+ 467.313 41 114.778529776356 6.32244426570991 1.07692252715452e-06 +M468.451T1066 468.450777974366 468.449608675814 468.452424162178 1065.58334177627 1058.20840396529 1078.58103808562 5 3 2 451 51.8150210956992 -1.21071227462647 0.349651295157974 +M469.163T969 469.163055502653 469.159177807965 469.16380181917 968.563462569569 968.497463506907 968.957748938878 3 3 0 [209][M]+ [M+Na]+ 446.174 167 25.653949007146 -22.1827825076979 0.00201122494653427 +M469.179T267 469.179059130965 469.176168762861 469.180149335693 266.73546512282 262.87605838798 289.257658858638 20 0 17 [M+Na]+ 446.19 1284 Inf 5.48756709865081 9.32550596521864e-06 +M469.2T992 469.199734529609 469.195770661232 469.199969647715 992.301881137476 992.031557682046 992.379985088427 3 3 0 [210][M]+ 1053 47.8055109673235 -41.9252192782809 0.000560577310797949 +M469.323T984 469.323266782685 469.320103359681 469.324188721336 983.758385311495 967.398452993161 985.795365778715 17 0 15 [208][M+1]+ 41 41.4210694742353 6.02342415279098 2.31665388827906e-06 +M470.166T969 470.166173271241 470.162823650268 470.167008613773 968.957748938878 968.563462569569 969.177175196212 3 3 0 [209][M+1]+ 167 15.6262827580024 -14.5051091787766 0.00462271286256755 +M470.203T992 470.203300791871 470.199528292604 470.203604499396 992.301881137476 992.031557682046 992.379985088427 3 3 0 [210][M+1]+ 1054 45.5543051678015 -16.0471023340188 0.00383450859169221 +M472.256T941 472.255969659807 472.25309573993 472.257332368355 941.327001057219 940.196591414015 961.983329993943 34 0 25 1267 18.0041200080352 6.04226523715462 2.20503369474656e-06 +M472.286T501 472.286217522173 472.282390725494 472.286931237501 501.39213218417 500.842431900316 502.162723043931 29 3 26 65 1.01202432291631 -0.241705906076739 0.828163423132142 +M472.342T1029 472.34223489219 472.337538147276 472.343093787459 1029.4650572039 1029.00962114472 1030.46771573031 30 3 27 [211][M]+ 525 1.09869814400374 -2.00228216868953 0.126675756768949 +M473.095T438 473.095284948058 473.093002476828 473.096344086884 437.581710752007 433.644063855183 441.084223117043 50 0 25 [M+K]+ 434.131 97 1016.50429923655 16.347654290682 3.33066907387547e-15 +M473.179T1012 473.17925081854 473.175184366051 473.179661187754 1012.05413212206 1011.71867067939 1012.15108999315 3 3 0 948 31.4581293821891 -5.58144967289085 0.0305714027453901 +M473.241T966 473.241479657368 473.237976955911 473.241953732293 965.840735209643 965.777601921917 966.233020436703 3 3 0 91 31.9492119834647 -6.58626950851666 0.0222198998020438 +M473.273T953 473.273115259445 473.270765489353 473.276193457918 953.199172605202 952.687246862565 953.469330697982 7 3 4 [212][M]+ [M+H-COCH2]+ 514.28 75 21.6527945769829 -7.85487589643276 0.0158086572397242 +M473.346T1029 473.345578139906 473.341606475959 473.346069781929 1029.47055503341 1029.01914504636 1030.28371229109 7 2 5 [211][M+1]+ 525 1.07188380036766 -0.991959899840845 0.414849146331138 +M474.243T966 474.243483066296 474.240605764183 474.246360368408 966.036877823173 965.840735209643 966.233020436703 2 2 0 91 263.162969743199 -10.4203797270306 0.00906835922463034 +M474.271T990 474.271474420313 474.269280975856 474.272126643634 989.655812373889 988.117350870489 1001.23377254084 48 0 27 [213][M]+ [M+Na]+ 451.282 1014 59.3825207020849 9.22965889624481 1.0635889946542e-09 +M474.279T953 474.278600179428 474.275524308572 474.278884129828 952.895420812048 952.891109261759 953.278373758428 3 3 0 [212][M+1]+ 75 14.671074829509 -8.21155323075662 0.0144329874485662 +M475.195T1020 475.195351627182 475.191434688808 475.195816828608 1020.23281304553 1019.89834480738 1020.36168253239 3 3 0 524 40.8500885847074 -5.04607779957092 0.037072593887896 +M475.275T989 475.274631657027 475.2722820828 475.275606488454 989.333029260414 988.117350870489 1001.18516467051 37 0 27 [213][M+1]+ 1014 26.4982777337396 8.8584260322268 2.35818387039899e-09 +M475.281T953 475.281100844564 475.2776853232 475.284516365929 953.086897285238 952.895420812048 953.278373758428 2 2 0 [212][M+2]+ 75 4.88109815102326 -13.9624410125331 0.0013660557330557 +M476.287T1040 476.287303111216 476.28499815085 476.288067457529 1040.1539918235 1039.11341804032 1040.80562558548 27 0 27 [214][M]+ 573 54.9199800121813 6.03038077490106 2.2656507767671e-06 +M476.289T981 476.289394322679 476.286728173355 476.290293007452 981.153181929315 979.761381762065 1001.10238582728 53 0 27 [215][M]+ 823 74.1694834912592 8.77811404316406 2.89673307563021e-09 +M476.315T308 476.314745615819 476.312740186452 476.316751045187 307.856301315663 307.411518869547 308.301083761779 2 2 0 214 4.29585715945507 -17.3248289998411 0.000934392160226727 +M477.151T522 477.150651923714 477.148521127046 477.151350473054 522.068844345907 521.63053016497 524.347402496491 27 0 27 [216][M]+ 58 825.829732447124 8.02909916236243 1.65221227810264e-08 +M477.293T981 477.292619378633 477.290362589247 477.293239942916 980.940294772864 979.761381762065 992.020491391514 48 0 27 [215][M+1]+ 813 56.3347048899697 8.47104747908095 5.70608205130441e-09 +M477.297T1030 477.296956238372 477.289937414662 477.298727101861 1029.73123186189 1029.00962114472 1040.59422481987 44 3 27 [214][M+1]+ 525 1.07494293446264 3.77414814377987 0.00193831073192952 +M477.33T1094 477.330484705663 477.327124870848 477.331663435379 1094.1379535593 1093.80344824533 1094.82373863799 10 3 7 921 10.3655372511149 -1.03603655741078 0.40883277796194 +M478.154T522 478.153766957749 478.151598726969 478.15424831727 522.021030637522 521.63053016497 523.66590125938 26 0 26 [216][M+1]+ 58 Inf 8.0465792075887 1.58619508638935e-08 +M478.203T237 478.203194272285 478.200423068907 478.203584454606 236.530125813221 231.223277659033 257.510503356317 17 0 16 [M+H+NH3]+ 460.169 54 Inf 6.12315475611451 1.79341897599272e-06 +M478.296T981 478.295665183984 478.292438116604 478.297352066367 980.715774280126 979.906580970191 991.920971071188 31 0 21 [215][M+2]+ 814 12.6118921081974 6.9072908353506 1.69235704117199e-07 +M478.305T1012 478.305090984736 478.30243926007 478.30652236883 1011.56821674413 1009.9931106819 1020.99073185221 57 2 27 [M+2H]2+ 954.595 30 55.9659681701754 14.2294241045807 5.46229728115577e-14 +M478.491T1011 478.491284839357 478.488828801483 478.493685901377 1011.2333935843 1009.9931106819 1020.84219524685 40 0 27 [217][M]+ [M+H]+ 477.486 30 198.581176650218 11.0871311211821 2.32485142248606e-11 +M478.58T1011 478.580114383924 478.577219822728 478.583353555671 1011.03923974929 1010.31392526603 1020.34184372578 25 0 21 30 227.278071769269 10.5333213469889 7.01207980569052e-11 +M479.059T43 479.059206979505 479.0573454163 479.060643891199 42.8417826003041 42.1499247210101 43.5173636359832 16 0 16 408 634.283380673427 9.91553635023793 2.51599185929763e-10 +M479.156T522 479.155809554629 479.153351283895 479.156012165141 522.140686554524 521.701679594279 522.534491920986 22 0 22 [216][M+2]+ 58 582.415184502249 8.07903774185367 1.46621554897308e-08 +M479.289T1081 479.28927596578 479.285195610637 479.289927630744 1081.24290756401 1081.0793914773 1081.56815099031 10 3 7 [M+K]+ 440.326 8 5.98348347155907 -3.17851168396613 0.0840632945681432 +M479.309T1015 479.308991778194 479.306626228484 479.309721373673 1015.49221084965 1009.9931106819 1021.08877945109 54 0 27 574 53.5117875608437 13.6597243120797 1.4255263636187e-13 +M479.496T1011 479.496055042324 479.49358006782 479.496682095037 1010.99355030958 1009.9931106819 1020.34184372578 21 0 17 [217][M+1]+ 30 223.711359812974 10.5449548532615 6.80380196627084e-11 +M480.311T1011 480.31143185299 480.308641498826 480.312099015392 1011.40695929384 1009.9931106819 1020.94425199339 48 0 27 [218][M]+ [M+H]+ 479.304 30 27.0189652913718 12.4106808612956 8.64863736182997e-13 +M480.321T1044 480.321480157215 480.317889390998 480.32224259632 1044.34501120114 1042.51097275701 1053.73663823308 56 2 27 [219][M]+ 552 63.622478920542 10.4235478870245 8.19118106676342e-11 +M480.508T1044 480.508092106258 480.505493860539 480.509732995163 1044.0480597219 1042.51097275701 1052.85241866841 24 0 17 575 146.965669852078 7.81902594977615 2.70515378986147e-08 +M481.228T1029 481.228492293901 481.225116198148 481.232649955867 1028.57984117487 1013.12669292955 1029.11251147753 5 3 2 535 6.99975186458394 -2.48847112949668 0.127474433932622 +M481.231T975 481.23136392269 481.228018350601 481.231463527908 975.078232450306 974.687537101332 975.297676528659 3 3 0 1055 10.5952075415422 -6.82358340022566 0.0204253167094335 +M481.231T955 481.231064652394 481.228074802759 481.231317396566 954.941325240283 954.921037216877 955.326149160536 3 3 0 193 9.62514866517718 -12.9402489549947 0.0049146505210631 +M481.239T1007 481.238664205189 481.234903633728 481.242821549686 1007.3268187017 1006.95671687671 1011.37377405812 4 3 0 50 14.4061031355389 -3.64158686505722 0.0672976491630128 +M481.313T1011 481.313314184018 481.310608773301 481.314401230982 1010.85521801833 1010.37901413102 1019.55472614481 17 0 14 [218][M+1]+ 939 Inf 12.4579984640439 1.81921144815078e-12 +M481.325T1044 481.324616535761 481.322057982608 481.325385790918 1044.30810756545 1042.51097275701 1053.58050605496 51 0 27 [219][M+1]+ 576 61.1943157332685 10.1779305813672 1.25881083334889e-10 +M482.327T1044 482.327146949264 482.325786036266 482.334310618171 1044.16978701649 1042.51097275701 1078.83315528879 42 0 27 [219][M+2]+ 523 23.5735415285243 8.36563384409524 5.15235987208484e-09 +M482.337T1092 482.33695436841 482.334907325419 482.337728439531 1091.78499540088 1079.09164415633 1092.57290357922 30 0 27 [220][M]+ [M+H]+ 481.33 29 121.224188983837 3.61215600296021 0.00127384355844362 +M483.159T236 483.158702070558 483.155916782504 483.159294793488 236.465053710374 231.911601395353 260.70360068437 18 0 16 [M+Na]+ 460.169 54 Inf 5.16446530089316 2.17836478821898e-05 +M483.179T993 483.179489302237 483.176103030507 483.180417758768 993.060549852231 992.982094687074 993.386461269011 3 3 0 1056 48.409996224753 -11.621755222323 0.00729128155622716 +M483.217T1011 483.216544914465 483.213203258214 483.216934193446 1010.68346397035 1010.36008092905 1010.7876738214 3 3 0 949 34.6065903557319 -13.5600902585246 0.00532649803154617 +M483.34T1092 483.340108790611 483.338169367292 483.340831296747 1091.59731209842 1090.03462373159 1092.10279582441 18 0 18 [220][M+1]+ 29 52.1489251548273 3.55856930705771 0.00145771382365734 +M483.987T60 483.987271220088 483.986581233218 483.988479810318 60.049736566184 59.4984069401054 61.2072053119825 17 0 17 423 22.7897656060969 4.75747650368423 6.22303504966837e-05 +M485.138T969 485.13805063148 485.133864495142 485.138509154436 969.177175196212 968.957748938878 969.243801933011 3 3 0 [M+K]+ 446.174 167 28.2935981136614 -5.00321533904324 0.0376862869419816 +M485.154T267 485.153553513251 485.150809824883 485.154651732202 266.546416302734 262.87605838798 270.278544341188 14 0 14 [M+K]+ 446.19 1284 Inf 5.09815348811046 2.59416198291618e-05 +M485.159T843 485.159272027417 485.155686186124 485.159932738162 843.364397316131 843.038688530069 844.020825281978 3 3 0 [M+Na]+ 462.17 [M+H]+ 484.152 13 5.53517100973088 -27.9665803278739 0.000699439614263664 +M485.16T995 485.160332354466 485.1559898745 485.16069359606 995.103538809742 995.023914678052 995.420032644509 3 3 0 997 43.6211391056566 -28.9942141408661 0.00113702899590917 +M485.37T160 485.370216456181 485.36492348571 485.370375217485 160.225267119881 153.766601882803 182.612038997058 6 3 0 884 217.993823067489 -3.91361434150516 0.0595188867613654 +M485.37T251 485.369907349281 485.369645041465 485.370169657097 250.839901432494 249.185021224987 252.49478164 2 2 0 [M+H]+ 484.363 10 211.549883720874 -5.63384917156865 0.0300885589665036 +M485.368T230 485.367717524298 485.364825773019 485.370609275576 230.114787885682 227.398002629926 232.831573141439 2 2 0 1146 704.085163637869 -8.79483646014628 0.0126817878547583 +M486.039T82 486.038709896464 486.03542698882 486.03945868407 81.7913149475615 73.7834823037467 82.6374975082264 22 0 15 906 50.6092256983268 3.72810879551869 0.000942932709646849 +M486.373T156 486.373311495369 486.36837407837 486.373646763361 156.137591244324 153.741797165241 161.925446322351 5 3 0 902 1674.87738284735 -4.33666645712533 0.0492754384123726 +M486.373T249 486.373268167257 486.368505774361 486.37410227558 249.185021224987 244.353701663993 252.49478164 3 3 0 10 1229.50225585399 -11.6399595711045 0.00729915142573301 +M486.39T1081 486.390283629039 486.387618070783 486.390839228647 1081.43017242103 1081.0793914773 1082.07473084456 6 3 3 712 4.15753531511666 -21.4517986905575 0 +M487.256T844 487.255764126408 487.25171872003 487.256490984289 843.539478095591 843.155393211899 845.465123735694 30 3 27 [221][M]+ [M+H]+ 486.248 13 3.04753917296473 -6.68805027871912 0.0211393195706866 +M487.269T936 487.268839168143 487.264631897669 487.269441344386 935.849948033231 935.806049981305 936.741868565556 3 3 0 [M+H]+ 486.259 35 23.0674479229638 -17.5060385390362 0.00323813156272035 +M487.338T360 487.338178780723 487.335600464094 487.340757097352 359.567211584066 353.555617731056 365.578805437076 2 2 0 224 44.5532029345548 -19.8374579830618 0.00242927749659172 +M488.259T844 488.258884365056 488.258079135082 488.25968959503 844.399350276343 842.634871604486 846.1638289482 2 2 0 [221][M+1]+ 13 2.03420171761914 -2.15704324076267 0.163287169684565 +M488.271T936 488.271302118422 488.267740785658 488.273045043786 935.849948033231 935.806049981305 936.741868565556 3 3 0 35 11.9912606647863 -43.0107901772257 0.000104129900191596 +M488.286T883 488.286489547216 488.28436652529 488.287068132434 882.782827038977 881.873537267237 883.47162596083 16 0 16 [M+Na]+ 465.297 181 28.2663090601344 7.00566545922312 1.89836677932931e-07 +M489.059T440 489.059068955074 489.057250976562 489.05982532451 440.320916311333 434.468937957963 440.916167992179 21 0 18 99 306.983885128179 14.5377771269873 5.24025267623074e-14 +M489.183T127 489.182800690621 489.180353970068 489.183844148554 126.78295338129 125.564526842935 127.391625513353 16 0 16 11 Inf 5.13864021095771 2.33167948975321e-05 +M489.239T843 489.239418973034 489.235527400393 489.240513115931 843.327373818339 843.038688530069 843.364397316131 3 3 0 [221][M+2]+ 13 228.448940221113 -11.516236711384 0.0074408184264505 +M490.243T843 490.242693829431 490.238759048135 490.243142138829 843.327373818339 843.038688530069 843.364397316131 3 3 0 [221][M+3]+ 13 48.3804702878595 -10.3835952546532 0.00905537959609415 +M490.303T984 490.302889176836 490.299938668691 490.304293069843 983.898924248447 967.519961179469 997.422755984391 34 0 27 [222][M]+ [M+Na]+ 467.313 41 50.4319700116657 6.8578709796017 2.79634080113667e-07 +M491.17T1067 491.170476908477 491.167859869998 491.171136451268 1067.33378160826 1066.90883286044 1067.93822778858 18 1 17 450 6.8418475342238 3.52261317100994 0.00160198695843672 +M491.177T843 491.17686391442 491.172507057156 491.177416738213 843.444975733369 843.014303886067 862.838641416713 32 3 27 [223][M]+ [M+Na]+ 468.187 13 5.49045443092858 -9.00482453033352 0.0119940450346387 +M491.177T908 491.177185300782 491.173281490253 491.177201354079 908.102868576345 907.978663316217 908.541872815428 3 3 0 [224][M]+ 1234 13.4615012539455 -20.4805731914384 0.00215028403224338 +M491.177T890 491.176934811343 491.172517522786 491.177150959891 890.426601974797 889.66781071779 890.933900599975 3 3 0 56 7.77287959464205 -18.4435606473508 0.00191980256226487 +M491.179T930 491.178772174923 491.174063770291 491.178979407331 930.048836157599 928.852529130799 930.347116151417 3 3 0 [225][M]+ 852 4.68283940537437 -8.12055802514509 0.013731650279782 +M491.178T966 491.178046667376 491.173760393552 491.178169380721 965.840735209643 965.777601921917 966.233020436703 3 3 0 [226][M]+ [M+Na]+ 468.194 91 18.3925587991891 -12.1777226140417 0.00664503706148434 +M491.176T786 491.175963409841 491.172096085212 491.177242430682 786.162010959737 785.850708073644 786.223576474321 3 3 0 57 16.2900981079431 -80.3879663277072 6.2541792880122e-05 +M491.181T502 491.181234050664 491.179178630675 491.181807194053 502.049454959804 501.370164269197 502.598930434665 26 0 26 [M+H-C6H10O5]+ 652.229 65 Inf 7.93026249455994 2.08368970966433e-08 +M491.19T936 491.18986781304 491.185805805048 491.189984111517 935.849948033231 935.806049981305 936.073154740285 3 3 0 [227][M]+ 35 33.3315229843954 -27.874636596139 0.00127311305848155 +M491.306T984 491.306093683632 491.302325398642 491.30666312175 984.094079121948 967.519961179469 986.080201220635 26 0 23 [222][M+1]+ 41 23.1464117327115 6.55156630013145 5.80605780786669e-07 +M491.91T1388 491.910061564038 491.908922301642 491.910559646902 1387.57029511959 1384.2051787729 1390.53026333961 26 2 24 44 1.00626781201862 0.0529716112292825 0.961824893097539 +M492.18T843 492.180041200963 492.176281164664 492.180931418058 843.434820229275 843.038688530069 844.065634599876 30 3 27 [223][M+1]+ 13 5.36404364644992 -41.5471752190244 0.000252678431676756 +M492.181T907 492.180656663907 492.175322838419 492.181133668636 907.415814821892 907.303491393697 908.541872815428 3 3 0 [224][M+1]+ 1246 14.1323494365947 -2.4075206299163 0.137717871803716 +M492.182T929 492.18205095406 492.177921957088 492.182225396376 928.984709601763 928.852529130799 930.048836157599 3 3 0 [225][M+1]+ 852 11.65035199252 -21.1754050286886 0.00180322963457069 +M492.182T966 492.181930770717 492.177160058326 492.18202223038 965.840735209643 965.777601921917 966.233020436703 3 3 0 [226][M+1]+ 91 17.6202873120306 -8.73654871815755 0.0127687672771537 +M492.193T936 492.192858347924 492.188801653572 492.193264909858 935.849948033231 935.806049981305 936.741868565556 3 3 0 [227][M+1]+ 35 28.6611564503228 -30.5634887659037 0.00105216911190564 +M492.321T1017 492.321201983012 492.3187594408 492.321989151546 1017.4447887292 1016.50205119024 1026.47563665211 40 0 27 [228][M]+ 577 155.505692780483 10.4756374473612 7.95554733201698e-11 +M492.32T946 492.320431988561 492.318181906242 492.321221832048 946.441843065649 945.677794915101 947.021014968431 26 0 26 [M+H]+ 491.313 146 71.999806849204 7.74184690993638 3.24741888935165e-08 +M492.32T966 492.320034535885 492.317816734069 492.320686196575 965.640312046845 964.847673222929 966.200140482528 21 0 21 1275 102.361472956535 6.68336831042915 4.3219610645906e-07 +M492.98T50 492.979627049827 492.979083661657 492.980277263951 50.3431016180039 50.0957108327717 50.90084331049 16 0 16 [2M+Na]+ 234.989 55 2.6428404069371 2.76374541368643 0.0102315320172401 +M493.113T457 493.113175941488 493.111993390377 493.114403857362 457.420103095544 456.304761030678 459.429149587175 19 0 19 27 421.858377975567 13.3427872315404 3.82582854285829e-13 +M493.183T843 493.182538688904 493.178747661687 493.182945104496 843.327373818339 843.038688530069 843.364397316131 3 3 0 [223][M+2]+ 13 3.61482238923185 -9.4565684493833 0.0106547313445668 +M493.324T1017 493.324100386546 493.321808048932 493.325061844376 1017.4447887292 1016.50205119024 1026.29213258259 30 0 25 [228][M+1]+ 578 34.7747894167239 10.0515688737769 1.27148735984406e-10 +M493.324T1060 493.323520952062 493.32060529247 493.326436611653 1059.59550186435 1059.58011606965 1059.61088765904 2 2 0 452 3.43292273802478 -1.97971780376122 0.185261830882116 +M493.957T42 493.957392199178 493.954645279577 493.959693161814 41.7889659759503 36.4752134531536 46.8427082171145 4 3 0 [3M+H+K]2+ 315.985 1 21.8625685155197 -4.8429120904132 0.0398316397116394 +M493.96T47 493.960294425415 493.959847913924 493.961296194056 46.8693522295873 36.0265414877752 63.070734440456 5 2 3 [229][M]2+ 55 8.42529486260963 -1.90951462931418 0.195277792449346 +M494.337T992 494.33708502053 494.329859065789 494.33765675329 992.427510933404 991.327003552592 1017.67957091298 52 0 27 [230][M]+ [M+H]+ 493.33 1013 295.490987095088 7.57643595494311 4.82685806879601e-08 +M494.337T1050 494.336815922396 494.334165559919 494.337661496752 1050.29614508423 1049.29537987609 1059.41001430582 28 0 22 22 20.6009549812729 9.79220178932989 2.60543142616143e-10 +M494.459T46 494.458714938513 494.455877526149 494.461552350877 46.0904775847794 46.016556168295 46.1643990012637 2 2 0 [229][M+1]2+ 1167 15.0299805389143 -2.3430350805519 0.143458120577739 +M495.245T984 495.245274922844 495.242966508946 495.247733905648 984.175706293398 983.898665149075 998.810655332721 4 3 0 41 28.1246506395008 -15.3842887478503 0.0040041212857318 +M495.247T965 495.247304175773 495.243260511818 495.247421488056 965.160199026682 965.097958400103 965.551688232666 3 3 0 91 21.0574782693202 -20.3255892891951 0.00222007330825535 +M495.248T1032 495.24823308401 495.244273228444 495.248753350818 1032.22272847145 1032.00464111461 1032.51929205516 3 3 0 579 92.5442448688014 -2.99304536004494 0.095824783238684 +M495.255T1011 495.25500947604 495.25015168238 495.258164342964 1010.73556889587 1010.36008092905 1013.51495187067 4 3 0 [231][M]+ 950 12.3781288857196 -4.23713933708021 0.0512045830424337 +M495.34T992 495.34007897609 495.337856629308 495.340849161683 992.174051585647 991.327003552592 1003.63736918438 44 0 27 [230][M+1]+ 1013 Inf 7.46887375658364 6.25672784693165e-08 +M496.255T989 496.254835631677 496.25089913988 496.257162856387 989.369086388235 965.097958400103 1010.36008092905 47 3 27 [232][M]+ [M+2Na-H]+ 451.282 1014 4.84022767100003 8.9283858046581 1.68046887516482e-09 +M496.261T1011 496.26136627439 496.260534931844 496.262197616935 1010.73556889587 1010.68346397035 1010.7876738214 2 2 0 [231][M+1]+ 951 6.15652106427839 -12.206539575646 0.00447605192305067 +M496.287T534 496.286783483299 496.284545867754 496.287265777334 533.935090179265 533.480637017198 534.488915618344 27 0 27 [M+H+NH3]+ 478.253 1090 1079.23860301611 15.630131317553 9.76996261670138e-15 +M496.339T992 496.339263549331 496.337327224744 496.341115994678 992.030717418414 991.327003552592 1005.14581910813 26 0 21 [230][M+2]+ 1013 10.5928158192193 7.38925803403239 8.14078431332632e-08 +M496.353T1043 496.35276947002 496.350344667722 496.353339999009 1042.62948671318 1041.8334801705 1042.95198874691 26 0 26 [233][M]+ 580 128.047628942794 5.88806733403855 3.28733537191539e-06 +M496.969T53 496.968923597464 496.963146959845 496.969729500869 52.9309561425014 37.3273918926686 63.3237429274591 25 3 15 842 5.7529507411326 -7.81460668990904 0.00850737245810196 +M497.069T41 497.069348676564 497.065912571564 497.070468619085 40.5581237525204 39.4164209930302 41.3218956694961 21 0 21 409 Inf 9.56711823583618 5.28440180502798e-10 +M497.197T1015 497.197092103694 497.193576691831 497.19785399478 1015.45673315241 1015.11866347346 1015.57165562104 3 3 0 5 94.4719041199227 -5.87496495566234 0.0277523634482799 +M497.221T161 497.221274154097 497.219047470111 497.222710045127 160.786146200495 159.904192924997 163.332480761031 17 0 17 514 181.565275898698 11.1111870400838 2.15938378289593e-11 +M497.258T989 497.257730708021 497.254308963943 497.25890634936 989.275671798081 988.117350870489 1000.95973672282 26 0 20 [232][M+1]+ 1014 76.836806302723 11.1881656878206 1.88415949509135e-11 +M497.356T1043 497.355825479926 497.353001192394 497.35647349882 1042.54472556843 1041.8334801705 1042.89693238776 17 0 17 [233][M+1]+ 581 37.5347037969483 5.85935000619178 3.52667357694791e-06 +M497.971T52 497.970742550882 497.96483171557 497.973433588674 51.9146666950924 37.8378576727158 53.4596674777137 6 3 1 1168 4.42599035471861 -4.29881560089718 0.0424357950741066 +M498.272T981 498.271748635797 498.269673580703 498.272346678605 980.940294772864 979.761381762065 992.020491391514 52 0 27 [234][M]+ 822 64.3453549841895 8.970762328736 1.84351600651667e-09 +M498.27T1040 498.269582232558 498.266840309819 498.271079266695 1039.82473567948 1039.11341804032 1040.59422481987 17 0 17 582 50.7495074435962 5.92834098264894 2.95640623138027e-06 +M499.133T522 499.132938602372 499.130690545101 499.133720251705 521.957113425715 521.63053016497 522.987401820878 26 0 26 [235][M]+ [M+H-C2H4]+ 526.155 58 809.207950398741 7.74280696607153 3.24363673698258e-08 +M499.275T981 499.274815310143 499.272503424655 499.275493721513 980.844718476716 979.761381762065 992.020491391514 45 0 27 [234][M+1]+ 815 50.8784225613067 8.82799783463551 2.54946197486561e-09 +M500.136T522 500.136162981023 500.133694050228 500.136811852749 522.068844345907 521.63053016497 522.987401820878 25 0 25 [235][M+1]+ 58 3053.22200803211 7.73996315337426 3.26806062211915e-08 +M500.278T980 500.278309256513 500.275274073556 500.279770904725 980.457372566574 979.761381762065 991.442005382847 18 0 14 [234][M+2]+ 816 9.22862779322103 8.22571209798096 8.12120548587814e-09 +M500.288T1015 500.288044257456 500.28497829927 500.289065577455 1015.49221084965 1009.9931106819 1020.99073185221 58 2 27 [236][M]+ 583 50.7143551845154 14.4570023076352 3.41948691584548e-14 +M500.479T1011 500.479360761464 500.476860845606 500.480403030161 1011.03923974929 1009.9931106819 1020.48939197353 29 0 23 [M+Na]+ 477.486 30 95.0066545843287 10.7363614207885 4.31836788550299e-11 +M501.132T843 501.131853876637 501.128453228443 501.132815354768 843.327373818339 843.038688530069 843.364397316131 3 3 0 [M+K]+ 462.17 13 5.42978811370033 -10.6958938878993 0.00804730679514121 +M501.243T534 501.242515018892 501.239956579008 501.243197187396 534.074572823355 533.480637017198 534.625581355559 27 0 27 [M+Na]+ 478.253 1090 729.602816729934 11.7051946689744 7.21001036652069e-12 +M501.291T1015 501.291224900373 501.288888597925 501.291815506318 1015.49221084965 1009.9931106819 1020.99073185221 54 0 27 [236][M+1]+ 584 30.2380567656422 14.1657553736858 8.21565038222616e-14 +M502.295T1011 502.295193411567 502.293091476295 502.296708723003 1010.92725710904 1009.69977798405 1020.48939197353 44 0 27 [M+Na]+ 479.304 30 16.4605784327051 14.8320271057457 1.79856129989275e-14 +M502.304T1044 502.304054273421 502.300598871112 502.304554219902 1044.34501120114 1042.51097275701 1053.73663823308 56 2 27 [236][M+2]+ 553 62.2605658874549 10.5766656671769 6.43980424541724e-11 +M502.387T1081 502.386971151033 502.383390625525 502.387910235671 1080.73480393893 1080.13234963002 1081.16309179999 30 3 27 [237][M]+ [M+H+NH3]+ 484.353 8 8.43123810310544 -3.18197563068519 0.0850532389121323 +M502.985T53 502.985215134729 502.983835198318 502.988560528539 52.7028296820809 52.1503843282753 53.0815702832571 4 2 2 843 2.09268068385585 -7.30375039874638 0.000302220838732215 +M503.131T843 503.131083463758 503.128945958204 503.133220969312 843.183031174204 843.038688530069 843.327373818339 2 2 0 13 4.90145904562166 -6.50698804985972 0.0215472649485693 +M503.172T851 503.172013472496 503.170151423692 503.1730614392 851.358531613241 850.899262357687 852.219217143841 21 0 21 198 8.03060802862107 27.3488552659528 0 +M503.246T1039 503.245943621448 503.245710285423 503.246176957472 1039.41329116374 1039.32419237254 1039.50238995494 2 2 0 [M+H]+ 502.241 527 95.4112873477378 -5.47265205739347 0.0317727021151513 +M503.307T1044 503.30694161555 503.304215570879 503.307811193145 1044.30810756545 1042.51097275701 1053.73663823308 51 0 27 [236][M+3]+ 585 33.5001553165256 10.2071394051496 1.18983489727498e-10 +M503.336T329 503.336272134367 503.331186002026 503.336848439352 329.129662488262 308.089878758049 345.004396399757 7 3 0 1347 97.7230457207816 -4.51295554851058 0.0457504281809531 +M503.39T1081 503.389705706435 503.386172428877 503.391290307559 1080.74500333291 1080.31360038642 1081.16309179999 20 3 17 [237][M+1]+ 8 8.39007570402183 -3.16823685548421 0.0856802202012952 +M504.31T1052 504.310431915138 504.308648336878 504.311974915819 1051.93560513151 1042.51097275701 1052.9814316799 21 0 16 33 16.2632625723376 7.40405831183334 7.2743027823563e-08 +M504.319T1006 504.318549405345 504.31565354157 504.319770335358 1005.69273780953 992.723056815056 1006.2752157448 27 0 16 1126 8.85271489063021 4.86080242677718 4.07389562169236e-05 +M504.319T1092 504.319490698142 504.317227683603 504.321348593135 1091.63388797269 1078.83315528879 1092.57290357922 34 0 27 [238][M]+ [M+Na]+ 481.33 29 165.267623348858 3.54933392712412 0.00149567501347425 +M504.337T312 504.336912383621 504.334066054987 504.339758712256 311.996157931006 308.089878758049 315.902437103963 2 2 0 1273 27.5407047648509 -6.44504261751854 0.0231677352611337 +M504.337T334 504.337090379367 504.334723473936 504.339457284797 334.423796842173 329.129662488262 339.717931196083 2 2 0 150 114.106000860418 -6.0266008233168 0.0264271320563205 +M504.393T1081 504.392979414302 504.388741584885 504.392983111177 1080.69992858779 1080.60703479771 1080.89135500795 3 3 0 [237][M+2]+ 713 16.8394129680119 -2.87497408670072 0.102229017268502 +M505.235T969 505.234931435049 505.229856682496 505.235226835555 968.957748938878 968.563462569569 969.177175196212 3 3 0 167 16.0109306998255 -8.88330185908515 0.0121985414170822 +M505.323T1091 505.322643498756 505.320476395433 505.329494838888 1091.25279302746 1069.12024805966 1092.10279582441 20 1 18 [238][M+1]+ 29 9.81983307409922 3.05073593740384 0.00495486717271465 +M505.334T342 505.334330545442 505.334023149762 505.334637941123 342.36116379792 339.717931196083 345.004396399757 2 2 0 1335 13.5338918820415 -2.45661492984947 0.1332509677803 +M505.334T316 505.333977457234 505.33363572014 505.33496815352 315.902437103963 313.061000852477 320.5390289016 3 2 0 1301 13.1626661143553 -4.48483024562833 0.0462480644039185 +M506.337T1021 506.336704057891 506.333539677206 506.337742155168 1021.41964063838 1020.23592335483 1030.12259174821 31 0 23 586 28.7382238384422 9.79296454747641 3.26767501945824e-10 +M507.148T843 507.147755461403 507.14418346833 507.148092149623 843.364397316131 843.038688530069 844.020825281978 3 3 0 [M+2Na-H]+ 462.17 [M+K]+ 468.187 [M+Na]+ 484.152 13 3.3721077881497 -14.118592323496 0.000177344421723014 +M507.343T1081 507.342728980198 507.337874395423 507.343173373658 1080.69587676366 1080.13234963002 1081.0793914773 30 3 27 [239][M]+ [M+Na]+ 484.353 8 7.95033039398783 -3.51836629903386 0.0708588840475073 +M507.532T1081 507.532421222228 507.530137604175 507.534060319981 1080.64942986862 1080.40040307355 1081.12864728144 10 3 7 [240][M]+ 8 14.82932451751 -2.80907169568241 0.10648799938036 +M507.622T1081 507.621853024814 507.621645493438 507.624827308643 1080.69992858779 1080.60703479771 1080.89135500795 3 3 0 8 10.5110770119807 -3.09856833083386 0.0893633714491391 +M507.814T1081 507.814163615654 507.812323755898 507.818127172212 1080.89135500795 1069.12024805966 1081.39099554022 3 2 0 714 9.51742786364459 -2.94960161861683 0.0972980822394389 +M508.132T66 508.132040296884 508.12971060762 508.132443187876 65.7549144762296 64.8677206665789 67.1164581178714 27 0 27 2 Inf 2.63813755673752 0.0138915217515154 +M508.346T1081 508.345859254214 508.342311411749 508.349311905901 1080.73188221297 1080.25885626486 1098.59769147187 31 3 27 [239][M+1]+ 8 8.24879312075993 -3.46100188709415 0.0730489306170505 +M508.352T1021 508.351900873024 508.350064972715 508.353042511412 1020.62881167148 1019.55472614481 1030.55804439579 30 0 23 587 67.8891675674432 7.47476502776126 5.96719709200499e-08 +M508.54T1081 508.540265064005 508.540185657286 508.540344470724 1080.74919490283 1080.60703479771 1080.89135500795 2 2 0 [240][M+1]+ 715 11.9497583471686 -2.99626336502907 0.0951169907696605 +M508.633T66 508.633376137225 508.630849102537 508.634021576703 65.7549144762296 64.987651753089 66.2613909628792 21 0 21 [3M+H+Na]2+ 331.098 2 Inf 2.61462222599165 0.014666934475398 +M509.002T1374 509.002193647003 508.998759803887 509.002729148181 1373.55380094266 1373.05151486365 1374.6711236874 30 3 27 32 1.23144367710919 1.47588508488523 0.210019073016874 +M509.134T66 509.134140036886 509.131602301778 509.134756892493 65.5773659354294 65.0568091664108 66.2613909628792 14 0 14 2 Inf 2.62511963847835 0.0143159244492732 +M509.346T1081 509.345738550412 509.340804430529 509.349014048583 1080.9015796431 1080.51076821867 1081.39099554022 12 3 9 [239][M+2]+ 8 8.58312679749339 -3.5117663582722 0.0710485762232465 +M510.266T535 510.266428615161 510.263679236371 510.267143946286 535.108711086804 534.597774915928 535.684172434085 27 0 27 [M+H+NH3]+ 492.233 47 1269.5638885016 13.4030076951812 3.46833672892899e-13 +M510.369T1070 510.368604847736 510.365196229622 510.369143665279 1070.39437522572 1048.18470882337 1075.57834747497 28 2 25 [241][M]+ 482 1.76131093337409 1.2489464559419 0.253104016458384 +M511.212T1032 511.211798197924 511.208402976595 511.211891164995 1031.53734061795 1031.15781035822 1032.00464111461 3 3 0 588 52.8132046358113 -3.46953420334918 0.0739363854209254 +M511.222T1088 511.222101582464 511.218391537982 511.223933663951 1087.82421455975 1087.251079746 1100.3434798645 10 2 7 716 4.68232620210076 -0.825191688948451 0.495050987533457 +M511.221T984 511.221395850383 511.217033723848 511.222358004949 983.898665149075 983.532941599959 984.138317459767 3 3 0 1057 11.5685723788092 -13.3560769495861 0.00525746578215425 +M511.372T1070 511.371659813257 511.369928533492 511.372445197841 1070.024657306 1067.26440007385 1073.84136080916 18 2 16 [241][M+1]+ 453 1.8540017387223 1.37189815337822 0.207900793807422 +M512.942T38 512.942331722434 512.93759806759 512.943385700461 37.9298210725509 37.3099127457171 38.0683458478762 4 3 1 [3M+2K]2+ 315.985 1 5.32684857620444 -3.43235217042365 0.0746579189268868 +M513.116T66 513.116395810877 513.114603970256 513.117177888322 65.8800746558319 65.0568091664108 66.435581733737 14 0 14 447 962.999368780393 5.6820136727253 5.61156737477475e-06 +M513.159T843 513.15930701064 513.155172385811 513.159772936395 843.432197951771 843.038688530069 844.020825281978 11 3 8 [M+2Na-H]+ 468.187 13 5.47483369603796 -51.6218196796891 0.000198475070692705 +M513.189T961 513.189025715794 513.184879981152 513.189613062101 961.462202216411 961.073931565772 961.701233457633 3 3 0 14 28.6126485054228 -20.6081674614922 0.00233936589881756 +M513.192T1026 513.192004571531 513.18915500942 513.192005236563 1025.69356504089 1025.37574798492 1025.84292298999 3 3 0 522 25.293091528071 -21.6685559031934 0.00202510784546783 +M514.304T1018 514.303683461024 514.301102946039 514.30480709854 1017.50547980361 1016.50205119024 1026.61044459441 39 0 26 [242][M]+ 589 123.672820808477 10.4475768699317 8.44808667466168e-11 +M514.303T946 514.302879235235 514.300500579229 514.303334185725 946.459661127378 945.677794915101 947.021014968431 26 0 26 [M+Na]+ 491.313 146 75.9879619358551 8.01672733122729 1.68516094412041e-08 +M514.303T966 514.302997309734 514.300459056276 514.30382680695 965.502583622648 964.786290906375 966.200140482528 25 0 25 1276 80.1099731789693 5.89586897901077 3.219798910159e-06 +M515.015T1373 515.015411856009 515.011396400225 515.019790767426 1372.60283452446 1370.37356313472 1373.81339448467 16 2 14 [243][M]+ [M+Na]+ 492.024 85 1.02928541519134 -0.214042769505847 0.846837728777403 +M515.02T1006 515.020402704955 515.017164491321 515.021193604984 1005.60009854348 967.398452993161 1026.51874402213 35 0 23 50 1.55181408975275 -2.36341776265635 0.0806161904419542 +M515.106T522 515.106321827592 515.103706502736 515.107315000584 522.140961872656 521.671536929897 522.493257290983 16 0 16 58 Inf 8.39716372005957 7.04624625313954e-09 +M515.222T535 515.221976103612 515.218523827418 515.222544821499 535.149961851421 524.668550695204 535.554980117461 28 0 27 [244][M]+ [M+Na]+ 492.233 47 3343.40573739018 9.78888298476325 3.29930305298376e-10 +M515.288T953 515.287895934036 515.283610502807 515.288247610238 952.895420812048 952.891109261759 953.278373758428 3 3 0 [M+H]+ 514.28 75 4.17613282070355 -9.9653726864058 0.00788594763044648 +M515.307T1017 515.306561203685 515.305180884345 515.308422201267 1017.40769837136 1016.50205119024 1026.19394426426 23 0 19 [242][M+1]+ 590 10.7757324386386 10.0298420911698 9.63780166785e-11 +M516.019T1372 516.018709923879 516.014997844343 516.02284992552 1372.3160597886 1370.63456471465 1373.7582356849 14 2 12 [243][M+1]+ 85 1.03607915337697 -0.322107778552451 0.771685599225825 +M516.226T535 516.225502169833 516.22271772649 516.226596568335 534.915829928455 534.614776896741 535.477554964088 14 0 14 [244][M+1]+ 47 Inf 9.89217400852968 2.65571564739275e-10 +M516.313T520 516.31328915067 516.308742999339 516.314120786507 519.640518716568 518.909602747321 520.173488531683 30 3 27 1354 1.14027740176772 -3.27229715664537 0.0440608952369264 +M516.32T998 516.319595075592 516.316693110633 516.320092519081 997.676354349093 991.369927550123 1003.84897924591 52 0 27 997 166.488320144389 4.99031567059929 3.44739113753434e-05 +M516.368T1025 516.36837809603 516.360958853616 516.369805249999 1025.01479094098 1024.39208190946 1026.03060439412 29 3 26 [M+H+NH3]+ 498.336 530 1.07094961049409 -1.74318375948937 0.177469652236445 +M517.018T1372 517.018013600327 517.015187487348 517.023154662175 1372.08440401839 1371.09160528789 1373.37856662205 10 2 8 [243][M+2]+ 85 1.01192387997201 -0.140695381985896 0.89917706637764 +M517.198T421 517.19766606947 517.195375779017 517.198459147655 420.683146985284 420.319764836944 421.198577928051 16 0 16 185 Inf 8.18390710158249 1.15206346684715e-08 +M517.323T992 517.322556740499 517.320301261466 517.323124170641 992.275632476816 991.369927550123 1003.63736918438 47 0 27 1013 98.6764623634398 6.00164599078952 2.44762773449203e-06 +M517.384T1091 517.384376883568 517.382160808029 517.389369346635 1091.44417736388 1090.58248734817 1100.01226393566 22 2 11 29 1.63100635928652 -0.561019018098134 0.629168868025193 +M518.078T457 518.077925956113 518.076033232598 518.07860441357 456.923391808531 456.496752642352 457.336056262182 24 0 24 27 Inf 12.3369800032243 2.26307861339592e-12 +M518.337T994 518.33681710623 518.332484640432 518.338265543694 993.531820629759 973.979533328136 1003.82057138894 56 0 27 [245][M]+ 1025 125.166784218665 6.40050168604775 8.81478062986218e-07 +M518.335T1042 518.334738691213 518.332291173225 518.335512587199 1042.23840549646 1041.37328179207 1042.6985540794 22 0 22 [246][M]+ 591 194.134803348391 5.324186835406 1.43085248331953e-05 +M518.957T1380 518.956926255046 518.955714715536 518.958385229673 1380.30849589341 1379.3296057538 1381.83152886745 13 2 11 [3M+2Na-H]+ 157.993 62 1.96097090778412 3.47799218239282 0.00709211340059546 +M519.209T953 519.20856403567 519.205121272439 519.20872478021 952.895420812048 952.891109261759 953.278373758428 3 3 0 75 16.7580397267383 -31.6554450710779 0.000953931716344503 +M519.213T568 519.213237375177 519.211114122649 519.213823031068 567.841782428539 567.429691443846 568.109074277486 27 0 27 [247][M]+ 1108 Inf 10.3349956943794 1.06278985612107e-10 +M519.239T998 519.23940867592 519.235429567499 519.239977064237 998.42693415066 998.131803972788 998.508975681725 3 3 0 1003 76.9688457516687 -14.7409930138881 0.00449363641090628 +M519.253T681 519.253172825535 519.251390415025 519.254145340705 681.140281062924 680.504160548163 681.997158823708 22 0 22 208 68.3927848492332 14.2382542122885 7.90478793533111e-14 +M519.338T1042 519.337601664415 519.334905571954 519.338307116219 1042.21643806308 1041.37328179207 1042.63380999304 17 0 17 [246][M+1]+ 592 27.6751156476219 5.30546942303725 1.46901794215726e-05 +M519.34T989 519.340164766615 519.337980231204 519.341047196289 988.532000998723 982.722813656995 994.293143821429 40 0 26 [245][M+1]+ 41 62.886234924231 6.44365551804136 7.78018225400245e-07 +M520.216T568 520.216356461998 520.214213608089 520.217649609259 567.779895266482 567.387578236326 568.109074277486 23 0 23 [247][M+1]+ 1109 800.170591440786 9.83397702980808 2.99154034877347e-10 +M520.256T981 520.25553972141 520.251992227761 520.258192930531 980.857702636514 979.761381762065 992.020491391514 44 0 27 [248][M]+ 824 43.2422048243593 10.5370394885027 6.20223872260794e-11 +M520.337T994 520.337163252369 520.334534244759 520.339291938384 993.531820629759 982.841357334081 994.293143821429 18 0 15 [245][M+2]+ 41 12.7470901593259 6.40836088630607 6.95098410830042e-07 +M520.353T1018 520.352965326318 520.350054394925 520.354403785648 1017.84893365374 1012.62546518261 1023.12491625643 54 0 27 [249][M]+ 593 564.447224303944 10.9480160563016 3.10658165858513e-11 +M520.546T1013 520.54573062495 520.543030432763 520.548476604979 1013.43252044666 1012.62546518261 1022.89122014514 41 0 27 [250][M]+ [M+H]+ 519.54 46 1174.69796872695 9.00258363372559 1.80237869074062e-09 +M520.641T1013 520.6414442694 520.6356368613 520.644811148898 1013.46261027562 1012.73017445499 1022.56534074885 33 0 25 [M+H]+ 519.636 46 2391.41848253574 8.82115609096427 2.69849387279919e-09 +M520.833T1013 520.833371122911 520.831073562465 520.834347199221 1013.38885101484 1012.62546518261 1022.56534074885 27 0 20 46 1060.4718087632 8.58906313646054 4.54560433738038e-09 +M521.225T161 521.224531375088 521.222179127427 521.225174149774 160.963727308595 159.966114410025 162.650859713444 14 0 14 4 Inf 4.3462354345162 0.000188645221565364 +M521.258T981 521.25791430219 521.253213287123 521.259565509684 980.615924881786 979.761381762065 991.972564037243 25 0 19 [248][M+1]+ 817 10.9078783711403 9.63067109935528 4.30297797393564e-10 +M521.326T1025 521.32590293899 521.319907697834 521.32631580492 1025.14847704646 1025.01199300728 1025.37574798492 3 3 0 [M+Na]+ 498.336 530 2.63711811308411 -5.56552553918471 5.93079670485608e-06 +M521.357T1018 521.356713318129 521.353907114783 521.357912978658 1017.84893365374 1012.62546518261 1023.12491625643 54 0 27 [249][M+1]+ 594 539.987616541551 10.6481257382306 5.63820101717738e-11 +M521.356T1094 521.35618045347 521.3531340646 521.35804973404 1093.93418992496 1093.34480803762 1094.79610726102 10 3 7 922 12.8965392788479 -1.20894190974819 0.350065704842577 +M521.552T1013 521.552160076126 521.546853748245 521.55356654347 1013.35928648298 1012.62546518261 1022.62321034535 34 0 26 [250][M+1]+ 46 Inf 8.37085208797697 7.48445527776198e-09 +M522.272T1011 522.272302633209 522.268668272667 522.274421589998 1011.42774948536 1009.90298620614 1020.53957572004 45 0 27 [251][M]+ 30 29.3525601218479 21.470599838286 0 +M522.295T1004 522.294909510134 522.292670003007 522.295916869664 1004.22426659515 992.457678449936 1006.5642401915 32 0 18 50 6.84739009544576 8.23585370617626 1.30556158328687e-07 +M522.303T628 522.302833901396 522.30015272041 522.303948384031 628.070239513969 627.377664373737 628.584158455843 27 0 27 [M+H+NH3]+ 504.269 134 291.739028238525 12.0023274340596 4.0787373478679e-12 +M522.354T1013 522.353613352775 522.351670193199 522.355559263178 1013.27883168709 1012.62546518261 1022.44267259471 34 0 26 46 30.8943560489012 9.79514071058598 2.39780195698813e-10 +M522.369T1051 522.369172299839 522.365556917841 522.370267247559 1050.51403572141 1045.22083955023 1055.94928208607 54 0 27 877 344.656964851324 10.508477113538 7.44120320916863e-11 +M522.566T1046 522.565592789339 522.559909863044 522.566804944497 1046.09861372005 1045.70954335324 1055.64927042374 27 0 24 [252][M]+ 595 197.851244104741 8.40086559250661 6.79029854566693e-09 +M522.657T1046 522.656561372146 522.653251490066 522.659723393902 1046.09365329538 1045.22083955023 1055.32051142596 24 0 22 596 558.863127030597 7.91139203198314 2.17214330966442e-08 +M522.85T1046 522.850485724796 522.847182397938 522.853442715245 1045.95905099435 1045.22083955023 1046.47137525884 17 0 17 597 93.3262245059109 8.65251067857027 3.43170381000846e-09 +M523.275T1012 523.275168675262 523.271064209545 523.277385646371 1011.52216942219 1009.90760511681 1020.70659797724 48 0 27 [251][M+1]+ 30 17.2058076369139 15.0252359485441 6.66133814775094e-15 +M523.317T1081 523.316616858037 523.312175099273 523.319320509678 1080.5607051378 1066.87706828928 1081.39099554022 14 3 8 [253][M]+ [M+K]+ 484.353 8 7.91461270675815 -4.44759872172174 0.0459107703442392 +M523.373T1055 523.37289041558 523.370276006014 523.37357037439 1054.59835297247 1045.22083955023 1055.94928208607 53 0 27 31 491.430872644678 6.84647062877599 2.87682949906554e-07 +M523.568T1046 523.568054397937 523.560327207626 523.568909110638 1046.06302666899 1045.22083955023 1055.17590579492 24 0 21 [252][M+1]+ 598 532.055096814687 8.07995946801635 1.46223775310261e-08 +M524.278T1011 524.278458290767 524.276415787069 524.283694758743 1010.99355030958 987.286501549119 1042.73381713294 19 0 14 [251][M+2]+ 952 15.0153629199707 1.95667280183168 0.0611993964773527 +M524.287T1052 524.287498955472 524.285553592363 524.288898351015 1051.59441216797 1042.35726052243 1053.73663823308 47 0 27 33 40.7155864591095 7.55318948908152 5.08533775089859e-08 +M524.32T1081 524.319934238178 524.316089850185 524.320293226897 1080.89135500795 1080.60703479771 1081.39099554022 3 3 0 [253][M+1]+ 717 6.46363041282807 -3.68925453037952 0.0648111917717857 +M524.371T1046 524.370546737126 524.36763224426 524.372085870472 1046.14340032331 1045.22083955023 1055.78403798968 35 0 27 599 281.641700429217 9.65871379959698 4.31182867188795e-10 +M524.975T1377 524.974831906763 524.97190590481 524.975568045405 1377.00233942435 1375.56700314048 1377.78624644372 30 3 27 [254][M]+ 82 1.05977683508415 -1.23190476835074 0.294048181237047 +M525.228T1039 525.227698187564 525.223125571189 525.228138885666 1039.32419237254 1039.08955110061 1039.50238995494 3 3 0 [255][M]+ [M+Na]+ 502.241 527 119.946274429502 -6.52339112996746 0.0226996726801296 +M525.29T1044 525.290141373405 525.286688627909 525.29135986144 1044.29790432915 1042.35726052243 1053.46521266776 43 0 27 600 Inf 9.10685597450829 1.43296752241895e-09 +M525.317T316 525.316566669406 525.312620727007 525.318993799157 315.902437103963 308.089878758049 320.5390289016 3 3 0 1302 25.6581104141389 -6.28214294766326 0.0243913699659031 +M525.978T1377 525.977576069356 525.973991173722 525.979192692804 1377.02413371926 1376.37936847031 1377.93450743008 28 3 25 [254][M+1]+ 1262 1.01165510142981 -0.257149987457268 0.802740877472961 +M526.23T1039 526.23048423064 526.226808864534 526.230843779373 1039.32419237254 1039.08955110061 1039.50238995494 3 3 0 [255][M+1]+ 527 140.70053763358 -6.7703655477742 0.0211234621923484 +M526.266T936 526.266268870177 526.265114192857 526.26710804313 935.849948033231 935.404563081137 937.172932902025 3 3 0 [256][M]+ [M+Na+NH3]+ 486.259 35 7.1850026886868 -26.839263685372 0.00113768880729737 +M526.301T1091 526.301379890843 526.298922125688 526.302462792657 1090.72693308209 1079.14655677144 1091.94420440941 19 0 15 [M+2Na-H]+ 481.33 29 56.382897521198 3.25339771805713 0.00315004384997364 +M526.975T1374 526.975232151495 526.970948625492 526.975792896914 1373.98162382344 1373.30463731673 1375.51217191625 30 3 27 [257][M]+ [M+K]+ 488.014 32 1.05189680777255 -0.623164558694509 0.586952117422962 +M527.106T66 527.105785942144 527.102829267146 527.106278953782 65.8128275101629 64.987651753089 66.2613909628792 24 0 24 [2M+K]+ 244.073 2 1024.14748095469 2.44985465936662 0.0213370903749057 +M527.155T41 527.154585664827 527.151320235693 527.159132646662 41.4057282216353 40.7845948778131 42.209812986787 21 0 21 410 Inf 10.0497621069045 1.91168192387181e-10 +M527.161T523 527.161309289281 527.158865792083 527.162895934613 522.995223211101 521.911043409444 524.882907903995 21 0 21 [M+H]+ 526.155 58 801.998840043615 16.2415144228081 3.99680288865056e-15 +M527.207T1043 527.207315114154 527.203139161837 527.207323012312 1043.38153816337 1043.1876742912 1043.58273321042 3 3 0 [255][M+2]+ 554 50.9168819508524 -3.40462160059821 0.0764877942099729 +M527.218T1059 527.217730025043 527.213328691599 527.21807157923 1059.4766464631 1058.88924919967 1068.61792707432 9 3 5 454 41.9301182405908 -1.14474054783486 0.370826418050956 +M527.258T628 527.258454841496 527.256004561061 527.259104793474 628.014731278228 627.284602514079 628.756127110536 27 0 27 [M+Na]+ 504.269 134 62.1502240922659 10.7492405331154 3.37243566406187e-11 +M527.269T937 527.268542903453 527.267472934411 527.268781501645 936.551896888993 936.489435405805 936.741868565556 3 3 0 [256][M+1]+ 35 5.59610116558464 -13.4092434842091 0.00530634305911759 +M527.975T1373 527.974806461516 527.971907933316 527.977992408004 1373.41987018226 1372.88164703012 1374.89628729276 21 3 18 [257][M+1]+ 32 1.1268320921404 -2.42547569177011 0.0507723998019971 +M528.139T41 528.13912542434 528.137451043565 528.140871482962 41.1879692988309 40.7639234021427 41.7643851335541 16 0 16 411 Inf 7.62763212919581 4.27256046098279e-08 +M528.319T1022 528.31924216142 528.317093489629 528.320148053887 1021.54990919194 996.770469715609 1052.61486482156 36 0 26 601 41.4796088392959 10.5154200437807 5.42326183960995e-11 +M528.971T1374 528.971322106321 528.966896075214 528.972068109145 1373.89399281031 1373.18325134971 1375.16394797962 30 3 27 [257][M+2]+ 32 1.16940321196283 -2.88728039610985 0.0372150510008957 +M529.161T841 529.161036392718 529.15911189446 529.162389459368 840.506277179143 839.37950322354 840.918115787711 18 0 18 [M+H-C6H10O5]+ 690.21 179 113.843545153765 8.20887701743056 1.08636557527575e-08 +M529.223T1018 529.223023309317 529.216706070775 529.224468062605 1017.97196001965 1017.54247158536 1026.06000333636 23 3 19 602 1.05136204885291 0.202456575844409 0.852644494787549 +M530.334T1021 530.333996646746 530.331136116194 530.335455911161 1020.70659797724 1019.55472614481 1030.62819265344 25 0 17 603 67.3601282265782 9.72277823419629 3.6172798090206e-10 +M530.418T1081 530.417863559864 530.412475629189 530.418183685343 1080.89135500795 1080.60703479771 1081.39099554022 3 3 0 8 5.43009815858525 -15.6488115213605 0.000612546212693577 +M530.985T1373 530.985480456638 530.981844291772 530.989390578955 1372.55330740855 1371.31860491468 1373.91989364309 29 2 27 [M+K]+ 492.024 85 1.05560485337884 0.258870455672625 0.81782278552425 +M531.177T628 531.176984614327 531.175061232149 531.177672391115 627.578961457303 626.995470953209 643.111153969556 36 0 27 [258][M]+ 134 1961.10533663668 9.25508971681437 1.03597952438861e-09 +M532.18T628 532.180403483505 532.178039333204 532.181214342483 627.61169979015 626.995470953209 642.77089247664 23 0 18 [258][M+1]+ 134 Inf 9.76441830905481 3.47475381801132e-10 +M532.293T992 532.293210328694 532.290515303451 532.294219001617 992.174051585647 991.327003552592 1003.57666082567 38 0 26 [259][M]+ [M+K]+ 493.33 1013 38.7583800683063 5.54278629882375 8.02988151216155e-06 +M532.351T1070 532.351485744895 532.347908187411 532.354363326741 1070.29343400132 1058.40243711738 1103.06834440569 32 2 26 [260][M]+ 460 2.02900298048242 1.48409907227152 0.176010868749322 +M532.938T37 532.937805175781 532.933664059067 532.93975976679 37.3433460410693 36.0265414877752 45.5543061888012 3 2 0 [3M+2Na]2+ 339.966 [M+Na]+ 509.949 1 12.2221143080333 -5.33919242123397 0.0326969887188744 +M533.167T41 533.167122099122 533.164618907152 533.168013438228 41.4842825564889 41.141866224785 42.0499247616499 22 0 22 412 Inf 6.98197323258768 2.05601403457933e-07 +M533.181T962 533.180995142453 533.178710251645 533.182231217528 961.828461999574 961.298543441824 976.397657634422 16 0 14 14 21.8057484135699 19.1507795299769 0 +M533.296T992 533.296448988469 533.293867321146 533.297950121491 992.251285679236 991.558960186986 1003.82057138894 19 0 15 [259][M+1]+ 1013 3.27675042916627 4.38882798559438 0.000178166489848142 +M533.355T1070 533.354502194067 533.351901463929 533.358260679099 1070.16689444244 1058.40243711738 1073.84136080916 19 2 17 [260][M+1]+ 483 2.02880626182436 1.46861496491424 0.179137153123893 +M533.669T42 533.66904392347 533.666247703105 533.669675973718 41.6663644842406 41.141866224785 42.0843657206402 16 0 16 413 Inf 6.91898321883014 2.40320784161696e-07 +M534.17T42 534.169737183988 534.168173559729 534.171259042208 41.621021958161 41.141866224785 42.0499247616499 15 0 15 414 Inf 7.63369325887005 4.21106132186821e-08 +M534.204T131 534.203559687047 534.20074674168 534.204567485603 131.478719215513 128.255758273746 132.126655352537 14 0 14 [3M+K]+ 165.082 7 Inf 4.17484370167927 0.000295941024593294 +M534.208T457 534.20762338997 534.205881995489 534.208623712334 457.015167415655 456.496752642352 458.700037359983 25 0 25 [261][M]+ 27 Inf 13.844933106225 1.65645275274073e-13 +M534.93T1383 534.930272282082 534.927577490118 534.93080985253 1383.02375925585 1382.19560908732 1384.43505080236 30 3 27 [3M+Na+K-H]+ 157.993 62 1.05427869710605 -0.911133443868875 0.440094576045647 +M535.101T618 535.10099200896 535.096655898274 535.101648421055 617.834585327965 617.799437685731 617.973004524202 3 3 0 [2M+Na]+ 256.056 106 252.476133297255 -22.2194502342545 0.00201305019697351 +M535.212T457 535.211814802753 535.210747253918 535.213379091122 457.178590842085 456.216288714083 458.747920429869 21 0 21 [261][M+1]+ 27 Inf 13.929858271485 1.4388490399142e-13 +M535.442T1336 535.442242417854 535.441391693183 535.443141749239 1335.63387486999 1327.2778994516 1353.62900700509 44 2 22 17 1.75538324906231 1.05750260891292 0.336471253856281 +M535.442T1364 535.441830339554 535.441321617902 535.442645084834 1363.75170759775 1360.45220543251 1368.92601144144 19 1 18 76 1.72884795617314 1.28506322276618 0.288612000946183 +M536.286T1017 536.286178648832 536.285504729433 536.288873569008 1017.47840227572 1016.72573578839 1026.16571076845 29 0 22 604 44.4503341504331 10.9021618684264 3.27213811601723e-11 +M536.447T1336 536.446757400434 536.445727966319 536.447421870444 1335.95558496538 1326.77405778985 1351.53041237035 40 2 22 17 2.27741448358846 1.44807535649359 0.226059437709485 +M536.447T1364 536.447317246585 536.4467052665 536.44847961041 1363.79869198078 1359.45970283463 1369.41348932284 20 2 18 [262][M]+ 76 1.36253672514403 0.668188798359773 0.564224581637486 +M537.181T100 537.181218799338 537.178348725062 537.182455465577 100.478742149157 99.8021583009755 101.000095991846 15 0 15 [2M+H]+ 268.088 90 Inf 5.1547756785819 2.23466372191172e-05 +M537.451T1365 537.451298412901 537.450427188351 537.452513539552 1364.83832829231 1345.29216255257 1369.41348932284 24 2 21 [262][M+1]+ 76 1.25965220391431 -0.329343116325385 0.772421243384086 +M537.892T1409 537.891535932068 537.890513431035 537.892261750005 1408.66859266533 1405.77084717734 1411.1417880954 21 1 20 45 1.02496301341692 0.072002752822268 0.948999579828919 +M539.205T997 539.20479699081 539.200709494699 539.205119215177 997.066023154798 996.776298773327 997.147018908281 3 3 0 1004 32.1470207521741 -11.70812078529 0.00713639493328388 +M539.244T1061 539.24406465769 539.239786888759 539.244134904348 1060.97281926154 1060.94188032418 1061.2172386673 3 3 0 484 1538.5179906339 -3.14424556242665 0.0880027245131689 +M540.32T994 540.319962527898 540.31683130306 540.320652704632 993.820031397306 982.722813656995 994.498921684722 47 0 27 [263][M]+ 1022 257.589679372253 6.51306763724525 6.6389279496093e-07 +M540.439T1133 540.438984110041 540.437960136761 540.439588061041 1133.06568883775 1132.73156719816 1137.46680213116 4 2 2 118 7.69884014594242 -1.6718787805793 0.236028409552403 +M540.439T1161 540.438850290071 540.438611354389 540.439089225753 1160.81267907809 1158.68139143888 1162.94396671731 2 2 0 92 49.972330187268 -1.99896868216312 0.183636090322635 +M541.209T1039 541.208843040423 541.206581653244 541.211104427602 1039.29597052778 1039.08955110061 1039.50238995494 2 2 0 [M+K]+ 502.241 527 81.8598936530472 -7.07294229230716 0.0193696313929377 +M541.222T998 541.222463978523 541.217833476014 541.22256811566 998.131803972788 997.827965457089 998.42693415066 3 3 0 [264][M]+ 1005 112.514830763742 -23.3167142562694 0.00182867092729833 +M541.238T621 541.237586043506 541.235726184287 541.238429072879 621.029347936526 620.57550046004 622.20140015987 16 0 16 192 Inf 8.60166074153519 4.42251590904164e-09 +M541.323T994 541.322975636226 541.320578921217 541.323613249117 993.855206033901 982.915862547481 994.498921684722 42 0 27 [263][M+1]+ 1023 360.429380521106 6.47980097202146 7.22335072200764e-07 +M541.442T1162 541.441934210972 541.441779606036 541.442088815909 1161.63301992311 1158.68139143888 1164.58464840735 2 2 0 92 20.1994268702441 -1.93386719412341 0.192774870839996 +M542.226T998 542.226134351919 542.221130656368 542.226407456152 998.131803972788 997.827965457089 998.42693415066 3 3 0 [264][M+1]+ 1006 127.9773178182 -25.1407696822733 0.00156525209805203 +M542.325T994 542.325410960007 542.321924580138 542.326841750319 993.576789515796 982.915862547481 994.498921684722 29 0 21 [263][M+2]+ 41 16.1764838075157 6.70737794406772 3.13038705179736e-07 +M542.336T1018 542.33565881395 542.332344741064 542.336977650535 1018.15352476035 1013.10593464155 1023.31313950464 54 0 27 [265][M]+ 5 212.404839686721 13.0233114237262 6.50812737035267e-13 +M542.532T1014 542.532288359174 542.529407530786 542.534577488906 1013.76607846058 1013.10593464155 1023.24474746123 47 0 27 [266][M]+ [M+Na]+ 519.54 46 Inf 10.0158771679671 2.05115480156337e-10 +M542.627T1014 542.627399333624 542.623284583735 542.629771781052 1013.77019246536 1013.1397832788 1023.31313950464 34 0 24 [M+Na]+ 519.636 46 Inf 9.83501122819182 2.99436919704021e-10 +M543.172T990 543.172283560914 543.16827455115 543.173683270231 990.260410337264 989.998304168691 990.337554659251 3 3 0 1021 22.0640436083271 -6.1308102375946 0.0255109342299122 +M543.205T1044 543.204863970654 543.20352168911 543.206206252197 1043.72408550285 1043.1876742912 1044.2604967145 2 2 0 556 14.6950470682613 -1.71581069985922 0.228140719351872 +M543.339T1023 543.339426063964 543.336836894145 543.33978210636 1022.61528987351 1013.10593464155 1023.31313950464 48 0 27 [265][M+1]+ 605 196.71080793873 9.3349654175283 8.64511129350376e-10 +M543.536T1014 543.536226526918 543.534075407674 543.539333216969 1013.58192307371 1013.10593464155 1023.24474746123 33 0 23 [266][M+1]+ 46 194.03593341175 9.60406220568557 4.86876094996092e-10 +M544.341T1022 544.340866957914 544.340078206286 544.349561423302 1022.4320969545 1013.10593464155 1055.67340532192 51 0 27 [265][M+2]+ 606 205.952613468536 1.88437035154733 0.0707419192560246 +M544.352T1055 544.351960097584 544.349879844476 544.352912429873 1055.277325842 1045.76199093164 1055.94928208607 51 0 26 [267][M]+ 31 185.214069030781 6.26675827898582 1.24156226988248e-06 +M544.548T1046 544.547884099428 544.545078003007 544.55280097559 1046.24756072319 1045.76199093164 1055.85640178269 37 0 27 [268][M]+ 607 105.016341146116 7.14598989162422 1.35842441517653e-07 +M544.643T1046 544.643320864501 544.641786619272 544.646327715426 1046.20370959651 1045.76199093164 1055.64927042374 22 0 17 608 293.994735288151 8.72366998065996 3.30862359732009e-09 +M545.156T732 545.156324476039 545.15381415474 545.157402658818 731.860784221902 731.349590810854 732.426367528589 27 0 27 [M+H-C6H10O5]+ 706.205 64 156.986258527205 8.68143487277626 3.64471341995909e-09 +M545.342T1014 545.342451260413 545.340429961108 545.344177917403 1013.68029911821 1013.10593464155 1023.31313950464 33 0 20 [M+2H-CH4]2+ 1104.71 46 8.98856557135527 11.2404003848351 1.46975764891977e-11 +M545.355T1055 545.35521309718 545.352477995737 545.355989645986 1055.277325842 1045.76199093164 1068.88717779483 57 0 27 [267][M+1]+ 31 135.130334695315 6.1576514758362 1.64150205117508e-06 +M545.552T1046 545.552366766557 545.550090832389 545.554456556534 1046.16958289776 1045.76199093164 1055.67340532192 21 0 16 [268][M+1]+ 609 Inf 7.25474821694508 1.05193531663161e-07 +M545.911T72 545.911384362012 545.910866279564 545.911824572723 71.9149691544374 59.1653046988279 84.1860523177493 3 2 0 804 3.00077615034511 -3.3841812763804 0.0722415585916556 +M546.357T1046 546.357151358594 546.354557435119 546.357769937856 1046.33544564463 1045.76199093164 1055.90580505308 41 0 27 [265][M+3]+ 610 35.4750275048058 8.83959384982226 2.54658738541025e-09 +M546.414T1080 546.413952334626 546.410007739314 546.415410755511 1079.84072684976 1079.40911462708 1080.23870979204 30 3 27 [269][M]+ [M+H+NH3]+ 528.381 8 10.9537360856519 -3.84323607556012 0.0608794800386803 +M546.614T1080 546.614369424937 546.606710596029 546.614420435562 1079.93175364339 1079.52771108171 1080.02054324576 3 3 0 718 20.6321378973091 -2.71892566494198 0.112675229988416 +M547.173T552 547.172523768814 547.170524409532 547.173167355705 552.201918434632 551.804303348299 552.518027780646 27 0 27 [270][M]+ 1110 Inf 10.7037107504726 5.05016028995442e-11 +M547.36T1046 547.359548812636 547.356908539383 547.361105806376 1046.3094204207 1045.80233963866 1055.67340532192 21 0 15 [265][M+4]+ 611 9.08683408310019 8.31343637430332 5.53464918340296e-09 +M547.417T1080 547.417179176908 547.413373670624 547.418273391897 1079.83434350889 1079.40911462708 1080.23044935937 26 3 23 [269][M+1]+ 8 11.5173887815722 -3.76462531428537 0.0632445122960115 +M548.176T552 548.17557777751 548.173533048317 548.176441055024 552.200864743781 551.804303348299 552.450345210591 27 0 27 [270][M+1]+ 1111 Inf 10.7682420386437 4.44106973418457e-11 +M548.419T1080 548.419416794826 548.415431885425 548.421002764188 1079.83512967177 1079.72147726519 1080.21452892257 9 3 6 [269][M+2]+ 8 12.2707438096449 -3.52576080990745 0.0715713309567545 +M548.911T40 548.911243889318 548.910943797205 548.91154398143 39.9964904268829 39.8828370496207 40.1101438041452 2 2 0 415 9.94907204161567 -5.51324226357203 0.0310022697085137 +M551.168T969 551.167591021416 551.162770167496 551.167755898894 968.563462569569 968.497463506907 968.957748938878 3 3 0 167 17.3676437518839 -28.987024536707 0.00102165830981327 +M551.202T992 551.201964681352 551.199220246043 551.204709116662 992.205771385237 992.031557682046 992.379985088427 2 2 0 1058 44.8478876184248 -65.7256285106283 0.00013514552637206 +M551.37T1080 551.369875836143 551.364849365472 551.370605551682 1079.84072684976 1079.40911462708 1080.23870979204 30 3 27 [271][M]+ [M+Na]+ 528.381 8 10.0170052777371 -4.75137617228959 0.0408602888824343 +M551.57T1080 551.570435987329 551.570179663448 551.57069231121 1080.07314128298 1079.93175364339 1080.21452892257 2 2 0 [272][M]+ 719 17.7892940631512 -4.01527735865295 0.0564979223514248 +M551.662T1080 551.662226380284 551.66206408831 551.662388672259 1080.07314128298 1079.93175364339 1080.21452892257 2 2 0 720 15.3649632518383 -3.33807022471448 0.0789247596434495 +M551.862T1080 551.861904990403 551.860633334941 551.86373276596 1080.21452892257 1079.93175364339 1080.69992858779 3 3 0 721 10.0869567304766 -7.0940693763213 0.0179262320686102 +M552.241T227 552.241413161041 552.23813828468 552.242662341668 226.679820541618 220.914996606063 248.218915844834 19 0 14 112 Inf 5.87807108319948 3.37360661895048e-06 +M552.277T407 552.27748771759 552.274569311754 552.278760396692 407.091572207654 406.746593111412 407.617406016891 14 0 14 [M+H+NH3]+ 534.244 160 748.826004390224 7.66485753003599 3.90336447608775e-08 +M552.374T1080 552.373503734249 552.36905282214 552.374318262659 1079.7879687344 1079.36909330472 1080.23044935937 30 3 27 [271][M+1]+ 8 10.5881407196193 -4.64695911457302 0.0425975016042637 +M552.572T1080 552.5724043334 552.568318712208 552.573220635306 1080.02054324576 1079.93175364339 1080.21452892257 3 3 0 [272][M+1]+ 722 24.2149982583829 -3.40495202767227 0.0763930142725302 +M553.376T1080 553.376168018188 553.371141837889 553.377360806711 1079.93345058358 1079.72147726519 1080.23044935937 12 3 9 [271][M+2]+ 8 10.8339877321972 -4.64078596355299 0.0429065304398741 +M554.286T953 554.286456003601 554.285908439788 554.287003567414 952.893265036903 952.891109261759 952.895420812048 2 2 0 1256 7.50354877151592 -4.77458160974792 0.0409640025951301 +M554.334T1070 554.33350212678 554.331930017897 554.334733738364 1070.31949759325 1067.67827181028 1084.53419370498 20 2 16 3 2.24691123716922 1.60759195922971 0.130197116661273 +M554.374T1080 554.374415905905 554.37384153863 554.374990273179 1080.11753608417 1080.02054324576 1080.21452892257 2 2 0 [271][M+3]+ 723 11.9800465041983 -5.83153769889217 0.0268823862987013 +M554.457T1263 554.45730620973 554.451027159635 554.458918290775 1263.15360395372 1261.24284759328 1269.07799822113 8 2 6 155 2.23227605194048 -0.991537066968339 0.416048330050453 +M555.141T550 555.140987806653 555.138436989283 555.142866949161 549.628783583407 528.040409220223 569.154993622216 26 0 14 201 Inf 5.89707093116488 3.21173125605867e-06 +M556.294T989 556.293506110936 556.290481824637 556.294524982839 988.55303474116 982.841357334081 995.63713956929 34 0 26 [M+H-CH4]+ 571.304 41 42.5028432533639 6.84952440754863 2.78272775044996e-07 +M556.978T35 556.978065703179 556.971638963915 556.978234133984 35.2633704240782 35.1215560091358 36.6638869593106 6 2 4 234 2.39837259462293 3.18706082968282 0.00360795953015725 +M557.199T457 557.199414525332 557.196690749052 557.200159218882 456.546749354678 456.04679519996 457.175144821925 25 0 25 [273][M]+ [M+H-C3H2O3]+ 642.183 27 Inf 10.4975331357717 7.6403328108654e-11 +M557.202T1003 557.202397686761 557.196342021417 557.204736272994 1002.51356248074 998.131803972788 1019.89834480738 3 2 0 1135 29.4018913222597 -2.81402427785382 0.106470163179274 +M557.209T998 557.208759656763 557.205356157897 557.212163155629 998.469109865656 997.066023154798 999.872196576515 2 2 0 [274][M]+ 1007 32.4108525573694 -3.19083759390689 0.0857534337201109 +M557.233T407 557.233082977 557.230820248784 557.233954560108 407.140730557975 406.705483729285 407.669329750038 24 0 24 [M+Na]+ 534.244 160 Inf 6.62210343862023 5.04540988099933e-07 +M558.203T457 558.202796381851 558.200315649461 558.203432002754 456.67105995388 456.060062594643 457.175144821925 20 0 20 [273][M+1]+ 27 Inf 9.01823666619031 1.74193992563687e-09 +M558.214T1000 558.213786744617 558.208689112008 558.21472827368 999.788989444034 999.493566331137 999.872196576515 3 3 0 [274][M+1]+ 1008 63.3868051886794 -20.5418889633654 0.00230826063895861 +M558.31T1014 558.309684990245 558.306993896905 558.310846421825 1014.15055041708 1013.12669292955 1029.43615721891 50 0 27 [275][M]+ [M+K]+ 519.346 46 66.9871667620942 14.7584161138228 3.574918139293e-14 +M559.172T116 559.171635742379 559.16481620345 559.172602554182 115.500167074128 100.123230753768 115.863417482165 20 0 20 6 356.482614310339 11.3918329918179 1.28146382394334e-11 +M559.313T1014 559.312694820803 559.309359609191 559.314225347192 1013.99777500987 1013.12669292955 1023.55484292501 39 0 27 [275][M+1]+ 1085 27.8073661984477 11.1461132399443 1.93889349020537e-11 +M560.326T1047 560.325570339055 560.322376826037 560.326801031176 1046.63236564029 1045.78821443403 1056.01043260934 37 0 27 [276][M]+ 612 56.1360486723934 8.29482108596128 8.89501228229506e-09 +M560.34T536 560.340163461698 560.336301263069 560.341174081283 536.160747361533 535.743939985042 536.977026068391 29 3 26 1091 1.04199498731228 -0.737026147122195 0.527423957582047 +M560.394T1021 560.394426285401 560.391519239307 560.39684006969 1020.91392551563 1020.16161771654 1021.63945763767 17 3 14 558 1.20177308956262 -2.01015012771066 0.151836415794071 +M560.427T1093 560.427438450535 560.424925458848 560.429951442221 1093.01146030639 1092.6400042859 1093.38291632689 2 2 0 923 14.413568911065 -1.25147831256722 0.337158295566743 +M561.152T567 561.151661866233 561.149485116278 561.152630682105 566.589499582938 566.288142848516 567.498582440141 27 0 27 [277][M]+ 1112 1910.49083554275 12.3147435676492 2.35345076760041e-12 +M561.288T1069 561.288491952325 561.283280411862 561.288985249433 1069.12024805966 1069.09842801395 1069.36275750621 3 3 0 455 50.8938623329369 -3.65213607272661 0.0674123311144244 +M561.329T1047 561.328762224538 561.32566193883 561.329886456219 1046.66666964297 1045.80233963866 1056.36317930108 19 0 15 [276][M+1]+ 613 3.84520718593023 5.18539859227175 1.79369598880541e-05 +M561.411T1091 561.411362163242 561.410589644661 561.418260213185 1091.23518463525 1071.39394987925 1097.31034320025 7 3 3 912 1.46158570379946 0.585782651287783 0.591036708219184 +M562.155T567 562.155243136881 562.152674057588 562.155847039428 566.705980587275 566.288142848516 567.150714201551 19 0 19 [277][M+1]+ 1113 Inf 13.4407073930664 3.26405569239796e-13 +M562.253T161 562.252685157493 562.250098588441 562.253223085032 161.031166905435 155.976738862835 162.772286773916 25 0 24 4 Inf 3.81814424127748 0.000749881786330953 +M565.351T1021 565.351293913556 565.347114307072 565.352475919971 1020.91392551563 1020.40133539787 1021.46028134051 15 1 14 559 1.0599925133363 0.691779600021208 0.550395819144602 +M565.384T1093 565.383834535013 565.380543295011 565.3855957878 1093.0927933114 1092.6400042859 1095.49468023945 9 3 6 912 13.2036599799884 -1.37055905658102 0.303897162676109 +M567.24T1045 567.239816897678 567.23509494594 567.239879686698 1045.24459540285 1044.93815015754 1045.4176017693 3 3 0 [M+H-CH4]+ 582.258 523 200.846077116489 -4.08962419553269 0.0549088374529512 +M567.345T1080 567.344769862387 567.340677998302 567.348373879944 1079.88344165758 1079.72147726519 1080.23044935937 10 2 8 [278][M]+ [M+K]+ 528.381 8 10.3035036614836 -5.96028314181472 0.0264735694261049 +M568.243T1045 568.242727858696 568.238029112877 568.242974649497 1045.24459540285 1044.93815015754 1045.4176017693 3 3 0 [M+H-CH3]+ 582.258 523 381.501578061727 -3.88602124899347 0.0602865499874143 +M568.347T1080 568.346654094514 568.342269594842 568.346946555695 1080.02054324576 1079.93175364339 1080.21452892257 3 3 0 [278][M+1]+ 724 11.6995601577512 -4.43895695117812 0.0467493613323364 +M568.468T1368 568.467938059544 568.466363858054 568.469512261034 1367.66585998504 1364.83356990989 1370.49815006018 2 2 0 80 60.8256006655655 -1.32294680445167 0.316843107641898 +M568.47T1305 568.470136715063 568.46996600227 568.470307427856 1304.6117173268 1304.0681087576 1305.155325896 2 2 0 94 38.3660093492635 -3.54073121078723 0.0712729014039493 +M568.469T1327 568.468919442776 568.467682547839 568.470156337713 1326.80398627597 1324.34802612147 1329.25994643047 2 2 0 28 92.5327245927044 -1.37168235910379 0.303767440244417 +M569.346T1080 569.345877782586 569.341095946678 569.34602970464 1079.93175364339 1079.52771108171 1080.02054324576 3 3 0 [278][M+2]+ 725 16.1353285699587 -5.0541275989696 0.0367217612673847 +M569.471T1335 569.470614375777 569.467551210268 569.470816088529 1334.91505107189 1329.25994643047 1337.72842203404 3 3 0 825 101.855573547606 -1.13632417031853 0.373636759207675 +M569.473T1304 569.47293401689 569.47283767641 569.473252588929 1304.0681087576 1287.76492766118 1304.48595912352 3 2 0 94 21.9856780768703 -5.88316605405943 0.0274416000077919 +M572.307T984 572.307198103629 572.303036811875 572.307987493663 983.970015480544 967.518053361137 985.290849791431 16 0 16 [M+H]+ 571.304 [M+H-C2H4]+ 599.334 41 54.5050852219407 6.87126845195521 2.68611852316525e-07 +M572.957T62 572.956676362258 572.950293421113 572.957452416158 62.4207036705493 35.2624765753602 107.609700438704 31 3 12 [M+H]+ 571.95 424 9.02552873906538 -2.16070850058646 0.161879768232069 +M572.975T1371 572.974768729145 572.970202723072 572.977087925635 1371.09160528789 1369.29736896252 1373.25686652693 9 2 7 166 1.20446235678543 -0.640570547553776 0.582996588025688 +M573.182T966 573.181917661818 573.177737961951 573.183555111284 966.233020436703 965.777601921917 966.521227461265 3 3 0 91 10.065449862172 -7.14588672037409 0.0187910636895143 +M573.18T844 573.180315941654 573.175887773923 573.180731721522 844.020825281978 843.364397316131 844.389290508812 3 3 0 [M+H]+ 572.174 13 3.8060216049983 -29.2877869156259 0.000728103072711761 +M573.182T929 573.182063613855 573.180827248446 573.183299979264 929.465102408965 929.379205484539 929.550999333391 2 2 0 867 14.1926609877798 -9.61808675123489 0.0104376293647876 +M573.192T936 573.191920971734 573.189574232156 573.194267711312 935.827999007268 935.806049981305 935.849948033231 2 2 0 [279][M]+ 35 29.7432259100029 -44.7231555000557 0.000486743376060694 +M573.913T1387 573.91296775137 573.911564590999 573.914124146788 1386.86923758151 1383.94064013481 1389.99437776835 28 2 25 44 1.01905248558473 0.121122782628077 0.913705586937136 +M573.96T47 573.959647230292 573.958466116582 573.960869360019 46.8693522295873 36.0265414877752 78.1578054199771 7 2 4 1169 10.0776606588421 -1.42237338701749 0.290573209016353 +M574.198T936 574.197741376636 574.193327505048 574.198103333878 935.849948033231 935.806049981305 936.741868565556 3 3 0 [279][M+1]+ 35 25.3925323327113 -28.4523294724831 0.00114679706810339 +M574.441T1080 574.441310154215 574.438049227143 574.444571081287 1079.77412716373 1079.52771108171 1080.02054324576 2 2 0 726 5.22785282033195 -7.1376229884553 0.015320429051882 +M574.957T45 574.956725259075 574.954427155112 574.959489948895 45.3352883082852 36.0265414877752 46.8693522295873 3 2 1 [280][M]+ 1170 12.3030652406254 -1.19205116245709 0.355440856250809 +M575.94T42 575.939752103471 575.935184786919 575.944319420024 41.6695860278939 41.2464841959325 42.0926878598554 2 2 0 244 973.424455810295 -5.68536528800923 0.0295708128835117 +M575.959T44 575.958712671362 575.95612866937 575.961296673354 44.3747866708325 37.1565339081869 51.5930394334782 2 2 0 [280][M+1]+ 1171 9.11266630774443 -2.86098330163621 0.102411421908979 +M576.949T40 576.948850721363 576.948163814736 576.94953762799 40.3402648753631 36.7078101321514 43.9727196185748 2 2 0 416 4.42050374091623 -1.66475633774769 0.237618614883136 +M577.292T998 577.29208062078 577.289856813329 577.294304428231 998.320389827257 998.131803972788 998.508975681725 2 2 0 1009 7.87009362803085 -15.6472450955467 0.00187003686010856 +M578.258T989 578.258107606047 578.255158728076 578.259144713931 989.262222433796 988.117350870489 1000.77801327603 31 0 26 1014 38.2988014422855 11.4640490105637 7.60191909421337e-12 +M578.974T53 578.973881417252 578.971843636183 578.97504238129 52.5691716397761 37.8378576727158 53.608603220742 16 2 13 844 4.02211611321983 -12.6405092154447 4.86288635004328e-06 +M579.182T335 579.181550261576 579.179280960722 579.182977136762 334.955596381989 334.528286881925 335.639320815758 16 0 16 1353 Inf 6.69783689894324 4.17166947652703e-07 +M579.307T1062 579.307372986525 579.302636629437 579.308616980864 1061.90625547932 1061.28902354536 1062.49070808426 26 1 25 [2M+Na]+ 278.16 449 3.04527499937242 2.45916256512999 0.0372798752443342 +M583.263T1046 583.262546090469 583.261743284567 583.263348896371 1045.5166512214 1045.4176017693 1045.6157006735 2 2 0 [M+H]+ 582.258 523 25.545444470545 -3.68683511208412 0.0662710138681466 +M583.271T1069 583.271443374521 583.266595997109 583.271997805633 1069.12024805966 1069.09842801395 1069.36275750621 3 3 0 [281][M]+ 456 82.0408829744231 -3.02757471902715 0.0939646540086949 +M584.272T1069 584.272177749788 584.269626947716 584.274728551859 1069.1093380368 1069.09842801395 1069.12024805966 2 2 0 [281][M+1]+ 457 79.0926608751179 -3.13244212824519 0.0885717525746506 +M585.301T718 585.301118306461 585.298791188894 585.301936670722 718.282761929959 716.561454099671 730.86108330017 16 0 14 1330 Inf 12.9908529771409 7.08100245105925e-13 +M586.245T969 586.244869301462 586.240034969526 586.244921752347 969.177175196212 968.957748938878 969.243801933011 3 3 0 167 10.7913241666532 -5.63856378554545 0.029884160397778 +M587.128T66 587.127818617571 587.124144399218 587.128443421377 65.8290151307102 64.987651753089 67.1164581178714 26 0 26 [282][M]+ [M+H]+ 586.118 2 Inf 5.28249617568447 1.59689256378215e-05 +M588.126T116 588.125664934921 588.122460642766 588.127189825097 115.518239204693 114.497993602145 115.915527816495 24 0 24 6 Inf 10.9857234448647 2.89039903123012e-11 +M588.13T66 588.13016357867 588.126332706607 588.130964314872 65.7549144762296 65.0568091664108 66.2613909628792 19 0 19 [282][M+1]+ 2 Inf 5.38636833136185 1.21570536317783e-05 +M588.927T36 588.92713450221 588.924639240215 588.929629764206 36.3452142235429 36.0265414877752 36.6638869593106 2 2 0 234 5.7445794824014 -4.32804441293509 0.046897333085236 +M589.132T115 589.131948928265 589.129143860791 589.133525197121 115.48693975643 114.497993602145 115.863417482165 24 0 24 6 Inf 11.7332964337354 6.88649137714492e-12 +M590.441T1079 590.441182566093 590.436808629758 590.442531832744 1078.92914396798 1078.58103808562 1079.51279530346 30 3 27 [283][M]+ [M+H+NH3]+ 572.407 8 14.8825488985673 -4.41187780620618 0.0474094533319587 +M590.648T1079 590.647952478256 590.640479627323 590.648869707832 1078.66153210845 1078.58103808562 1078.8508363075 3 3 0 727 61.3142743115055 -3.27243674614706 0.0820262075226541 +M591.006T1374 591.006497134693 591.001989204695 591.007390723489 1373.52838398363 1373.05151486365 1375.16394797962 30 3 27 [M+K]+ 552.046 32 1.16837336218167 0.94129652712896 0.416930113346168 +M591.444T1079 591.443994223155 591.439975563915 591.445535849602 1078.90070292166 1078.41255197019 1079.51701516648 27 3 24 [283][M+1]+ 8 15.1032980356424 -4.41395389119718 0.0473250753304399 +M592.446T1079 592.446324796952 592.442182719353 592.44769739602 1078.8508363075 1078.58103808562 1079.14655677144 5 3 2 [283][M+2]+ 8 13.8586252481128 -4.08983507064165 0.0545759619567439 +M594.944T38 594.944185592071 594.941131669664 594.947239514479 38.0450651601311 38.021784472386 38.0683458478762 2 2 0 [M+Na]+ 571.949 1 1.54216384400462 -1.2081200346252 0.344798642830354 +M595.164T844 595.163648086813 595.159169929655 595.163676976837 844.065634599876 843.327373818339 844.389290508812 3 3 0 [M+Na]+ 572.174 13 4.20374328537965 -46.1113771041671 0.000108644427344817 +M595.397T1079 595.397138222388 595.391873504302 595.39770245087 1078.88955568165 1078.58103808562 1079.51279530346 30 3 27 [284][M]+ [M+Na]+ 572.407 8 12.8631994591081 -6.16177251663924 0.0249873413486528 +M595.603T1079 595.603486412572 595.599434547632 595.603932815896 1078.66153210845 1078.58103808562 1078.8508363075 3 3 0 [285][M]+ 728 29.5194273912014 -4.80894280662465 0.0405527044582923 +M595.702T1079 595.70205125594 595.698573592806 595.704402915644 1078.66153210845 1078.58103808562 1078.8508363075 3 3 0 729 19.2148436871048 -3.85355893950266 0.0610563105121997 +M596.341T461 596.340779485007 596.338163740279 596.341813630918 461.084278959535 449.677266668324 461.645234268835 18 0 17 [M+H+NH3]+ 578.307 121 707.883451063787 10.4225466769472 8.84985418281303e-11 +M596.4T1079 596.399985223461 596.395329632549 596.401426867957 1078.95758501429 1078.58103808562 1103.28608367824 31 3 27 [284][M+1]+ 8 13.0019809404087 -6.17782623452301 0.0247912259664833 +M596.605T1079 596.604919329205 596.601866723424 596.605796663709 1079.25640881031 1078.8508363075 1079.34105698091 3 3 0 [285][M+1]+ 730 23.8239622480638 -4.07415721909829 0.0552182723573624 +M597.022T1373 597.022075053802 597.015982425916 597.024635529994 1373.12823538337 1371.36026705255 1374.48691290555 13 2 11 [286][M]+ [M+2Na-H]+ 552.046 32 1.27245184820059 0.683466842594669 0.560087122606348 +M597.402T1079 597.402205928494 597.397137261566 597.403326518982 1079.11632554103 1078.58103808562 1103.36376483243 11 3 7 [284][M+2]+ 8 12.6983888293425 -5.81939159573908 0.028033171571477 +M598.021T1373 598.021327620809 598.020193381076 598.02706648799 1373.00915364215 1371.20107488138 1373.70233333333 7 3 4 [286][M+1]+ 32 1.59464951748789 1.80825361115228 0.208532121303686 +M598.324T992 598.323645267556 598.321331473776 598.324542733048 992.278975846904 991.369927550123 1003.64234073666 42 0 27 [287][M]+ 1013 42.3187383318659 10.5776416416493 6.43418651691263e-11 +M598.405T1079 598.405009572467 598.400463794052 598.40559601367 1078.66153210845 1078.58103808562 1078.8508363075 3 3 0 [284][M+3]+ 731 7.78848400579316 -4.32308403744915 0.0482383583706449 +M599.327T992 599.326593075031 599.32400076276 599.328189510199 992.174051585647 991.442005382847 1003.57666082567 36 0 25 [287][M+1]+ 1013 9.32047743506212 9.70001674433851 3.92811116967096e-10 +M599.404T320 599.403983240118 599.397774330126 599.404615990138 319.921083075879 294.128257574056 334.954568619245 6 3 0 [288][M]+ [2M+H]+ 299.205 [M+H]+ 598.397 107 95.6585757032966 -4.10482710868441 0.0545380413410821 +M600.407T322 600.407072831424 600.401023620048 600.407794576758 321.897943776269 308.089878758049 340.927539130191 7 3 0 [288][M+1]+ 107 313.983660257337 -5.53512134624795 0.0311229902322403 +M601.296T460 601.296264120825 601.29176354292 601.297125222679 460.359221946369 449.230302124182 470.818791587028 46 0 27 [289][M]+ [M+Na]+ 578.307 121 Inf 9.32069577344172 8.9838225747485e-10 +M602.258T981 602.258385077211 602.255380831483 602.259562993328 980.690540493352 979.761381762065 992.05907055484 32 0 24 818 33.9761833112483 11.7737381350972 3.50830475781549e-12 +M602.3T461 602.299738932139 602.296738882114 602.300930878407 460.524254313273 459.638567866694 461.200911223212 25 0 25 [289][M+1]+ 121 Inf 8.90771273860165 2.22545537553742e-09 +M602.967T55 602.966626834409 602.959865358534 602.967309212937 55.2644704264856 54.9399855416754 55.6652699370759 4 2 2 448 3.04983919210808 -5.03934196188668 0.0130404905365213 +M603.312T1045 603.311605239899 603.305710720811 603.311923544161 1044.74237348619 1044.56244258901 1044.93815015754 3 3 0 523 16.2363222663733 -3.82562215240646 0.0619325524006249 +M604.275T1019 604.274576166768 604.271484963375 604.27574102302 1019.2288740126 1009.31124860537 1027.60312726425 51 0 27 614 27.7033913490663 16.132447975733 1.11022302462516e-15 +M604.367T551 604.367320551736 604.366698334574 604.368318286722 550.975530978019 550.461923281574 551.612512034683 21 2 19 232 1.0978728126087 1.74636866199052 0.193765884324944 +M604.455T1092 604.454518402883 604.451500600933 604.457536204834 1092.29790781499 1091.93679235326 1092.65902327672 2 2 0 913 22.4725815718015 -1.29666620591174 0.324151141932669 +M605.278T1011 605.278003032506 605.275145081994 605.279144237069 1011.32599307656 1009.31124860537 1020.48939197353 39 0 26 953 12.5428740940576 15.4437519710408 7.59392548843607e-14 +M605.439T1090 605.439314373042 605.435632153003 605.444591973847 1089.7258300475 1070.71689516367 1096.86624539512 20 2 12 913 1.07749523564842 -0.142240786331181 0.896414322048066 +M605.446T1091 605.446245025689 605.446176685426 605.446313365953 1090.86635241372 1090.52491166431 1091.20779316313 2 2 0 924 1.35715679838127 -0.430318406869029 0.705760264438671 +M606.291T1051 606.290510791743 606.287518766005 606.291377411477 1051.46101425853 1042.05356660394 1053.58050605496 44 0 27 22 26.5687842621372 6.51336530792129 6.62625183389665e-07 +M606.979T1376 606.978992668846 606.9756916188 606.980101950124 1376.12677476197 1374.8879013532 1377.05521407238 30 3 27 1263 1.06711640270077 -1.12773608720367 0.339346337382445 +M607.213T462 607.213142363956 607.210207966853 607.213577988206 462.488587051072 461.500914406469 463.507517190975 16 0 16 1378 Inf 8.00667881608313 1.74144867415293e-08 +M607.23T1039 607.229643212642 607.226676049133 607.232610376151 1039.29597052778 1039.08955110061 1039.50238995494 2 2 0 527 176.331946618836 -5.45467003014392 0.0319972456439137 +M607.293T1052 607.293132485563 607.290805017286 607.294504426135 1051.97031562487 1042.51097275701 1052.78371400823 20 0 15 33 15.1720526402258 7.72075962398738 3.32275298386975e-08 +M608.98T1374 608.979564825858 608.975000936248 608.980482850799 1373.9565181145 1372.45569592693 1375.38206697326 29 3 26 32 1.1684321967823 -2.94450562993602 0.0626173317433354 +M609.209T1043 609.209294551761 609.206103086607 609.212486016916 1043.38520375081 1043.1876742912 1043.58273321042 2 2 0 555 214.587825065125 -4.70088453268631 0.0423913915315752 +M609.41T1092 609.410410978996 609.406867471309 609.413231193992 1092.01394428356 1091.66677185681 1092.69597989381 6 3 3 912 16.090151501417 -1.66888607650927 0.236958401595587 +M610.35T1005 610.349981057005 610.347299990612 610.351339776692 1005.21314587424 1004.25589447498 1015.62825310141 40 0 27 [290][M]+ 1127 55.5297590865635 6.43979126017382 7.98040102001352e-07 +M610.976T1374 610.975800471728 610.970975743912 610.977335244192 1373.79484982546 1372.77982607885 1375.51217191625 30 3 27 32 1.05929744384955 -0.595554153372039 0.598197991150959 +M611.184T457 611.183994295605 611.183071741538 611.187854286148 456.923391808531 456.304761030678 457.86041889687 16 0 16 [3M+H+K]2+ 394.135 27 324.482243014087 8.64571931846887 3.95601507108267e-09 +M611.353T1005 611.352962776609 611.35023885616 611.354354941886 1005.00971746729 1004.25589447498 1005.4017843408 19 0 19 [290][M+1]+ 1129 26.2207104748075 6.42919618990542 8.20255526168268e-07 +M611.37T1079 611.369760017922 611.366006692587 611.371466838122 1079.10398484868 1078.58103808562 1079.51279530346 10 3 7 [291][M]+ [M+K]+ 572.407 8 13.7983548119488 -5.37685311187747 0.0327641839201707 +M612.366T1038 612.365864543243 612.362867201657 612.367165370984 1037.57556432017 1036.39311074428 1047.52995134529 24 0 21 615 29.7223538467879 5.39764931354287 1.17046594811931e-05 +M612.374T1079 612.374134776588 612.36928695827 612.374793687305 1078.8508363075 1078.66153210845 1079.25640881031 3 3 0 [291][M+1]+ 8 10.3150003556222 -5.00026404029596 0.0372787436506341 +M612.987T1372 612.986961482099 612.98430051977 612.988947602013 1371.94641212866 1370.6333947617 1373.4969823826 18 2 16 151 1.17425625739824 0.697502025505087 0.556291858995527 +M613.372T1079 613.372466749744 613.367505186015 613.372859102897 1078.8508363075 1078.58103808562 1079.34105698091 3 3 0 [291][M+2]+ 732 7.69306903009874 -3.97588302807253 0.056826684755459 +M614.345T972 614.3446356513 614.34184294393 614.345462207927 972.001943582343 971.009246251199 986.657337341156 31 0 26 [292][M]+ [M+H]+ 613.337 117 119.109186452818 5.15958390132751 2.20613511410228e-05 +M615.348T972 615.347978035957 615.345031181718 615.348679584115 971.799870435323 971.009246251199 972.292876852764 16 0 16 [292][M+1]+ 117 39.9792923330102 5.07205227940404 2.76827469429808e-05 +M616.935T1381 616.934738890718 616.931431543782 616.935737037353 1381.06529877648 1380.1431826243 1388.43663933395 30 3 26 62 1.12401694114131 -1.43404536689057 0.239515723899566 +M617.367T389 617.366634379055 617.363604578118 617.369664179992 388.672163400836 382.691813435059 394.652513366613 2 2 0 1337 27.1789799707675 -17.7325390321927 0.00254710282855131 +M617.37T461 617.370377303782 617.370093615887 617.370421344085 461.443997566778 451.249822595368 468.839968812197 3 2 0 1312 21.4197699705023 -1.97192850789991 0.187316479461124 +M618.472T1079 618.472120719455 618.471702649838 618.472538789073 1078.71593719656 1078.58103808562 1078.8508363075 2 2 0 733 6.77734623381455 -12.6581816316285 0.00178979390779732 +M621.388T316 621.387893731468 621.379931499175 621.38913244155 315.84251133896 308.089878758049 322.578381173767 4 3 0 1296 298.281235636895 -4.95290384560848 0.0384159082210482 +M622.324T990 622.324291916962 622.320483680677 622.325406092274 989.511940287383 982.915862547481 994.498921684722 40 0 26 [293][M]+ [M+Na]+ 599.334 41 95.3200671541648 8.78882318810488 2.86987456021848e-09 +M622.392T317 622.39241926421 622.392392855123 622.392762058028 317.263784977991 314.421237699929 321.897943776269 3 2 0 1297 953.502286106856 -2.19816002961542 0.159014221756778 +M623.328T984 623.327542351624 623.324982744107 623.328287674322 983.661193229729 983.170961965166 994.498921684722 24 0 19 [293][M+1]+ 41 34.7723370661662 11.1555394573457 2.0368373654378e-11 +M623.455T1014 623.454680349513 623.451828805473 623.455873204725 1014.13493700025 1013.1397832788 1023.30398891314 29 0 21 46 250.153920178372 9.21007967320978 1.14279030682951e-09 +M624.341T1018 624.34106721115 624.338011207913 624.341855199916 1018.33310906928 1013.12669292955 1023.31313950464 54 0 27 616 163.216746523677 9.13089855292395 1.35473898765781e-09 +M625.078T66 625.078478086116 625.076082133337 625.08278525032 65.8107617541648 64.987651753089 66.5928669678509 25 0 25 [M+K]+ 586.118 2 Inf 8.5752966475906 4.69476102438193e-09 +M625.169T535 625.169491637518 625.166613264697 625.170719094084 535.271186734047 515.585654040853 535.850343324808 35 0 27 [294][M]+ [M+H]+ 624.162 47 1976.57112509952 10.3363569054739 1.05919495396734e-10 +M625.206T496 625.205952717201 625.202582446803 625.206463655275 495.802673517239 494.506412328565 507.652248422252 28 0 27 [295][M]+ [M+H-C6H10O5]+ 786.254 111 Inf 10.3365983735937 1.05931929894609e-10 +M625.206T433 625.205507508406 625.202908080063 625.206737570148 433.377722750126 432.642152475214 434.44424197346 21 0 21 1361 Inf 10.5563559041561 6.785549899746e-11 +M625.205T665 625.205197378819 625.202467870768 625.206312643438 665.001347654246 649.360994804834 666.210563768258 33 0 17 [M+H]+ 624.198 152 26.0865154375654 5.02023695885446 2.97860427442842e-05 +M625.344T1014 625.343822733555 625.340968847895 625.344691626434 1013.89875793929 1013.12669292955 1023.31313950464 42 0 27 [296][M]+ 46 53.894118705302 13.7427821145419 1.86517468137026e-13 +M625.471T1047 625.47069716631 625.467895571755 625.471415418124 1046.64952621624 1045.80233963866 1055.78403798968 25 0 20 617 265.020952181559 5.17399053488899 2.12407908835033e-05 +M626.173T535 626.172567550326 626.169061579234 626.17478063959 535.300841277977 516.222352115851 535.852914775958 28 0 27 [294][M+1]+ 47 Inf 10.5122397000995 7.4167338937059e-11 +M626.209T496 626.208944828983 626.205927856945 626.209498687554 495.754360955164 495.224238716741 496.211127422098 26 0 26 [295][M+1]+ 111 Inf 10.695711268482 5.13145081981747e-11 +M626.346T1014 626.346013780761 626.34275714613 626.347075112591 1013.98796856782 1013.38885101484 1023.31313950464 30 0 22 [296][M+1]+ 46 27.3767055252551 13.4837853990072 2.18047802036381e-13 +M626.357T1047 626.357033291878 626.354056945018 626.357641150616 1046.59722274366 1045.78821443403 1056.01043260934 48 0 27 [297][M]+ 549 200.734098947737 9.41711427803285 7.26562365827021e-10 +M627.211T496 627.210884380737 627.207939567193 627.211701499685 495.716617024006 495.345128936482 496.054656422139 15 0 15 [295][M+2]+ 111 Inf 11.4185859121983 1.249889081123e-11 +M627.36T1046 627.359722857228 627.356762515915 627.360375454662 1046.42971847034 1045.78821443403 1055.90580505308 39 0 27 [297][M+1]+ 618 192.038616327938 8.17544982150371 1.17393954557343e-08 +M628.362T1046 628.36174319664 628.358709460645 628.362958329883 1046.36206585924 1045.80233963866 1055.90580505308 20 0 15 [297][M+2]+ 619 58.074370959353 9.59255576015006 5.0028159392923e-10 +M628.566T1399 628.56569464477 628.564806299601 628.56636282788 1398.70416164364 1383.5655157529 1405.25525774602 41 2 23 19 1.56081414582366 -0.708111920336012 0.547881811046639 +M628.566T1421 628.565781896422 628.564830435961 628.566352002498 1421.08717326348 1414.44428784384 1437.96537910209 41 2 19 1184 1.54559869927691 0.962571769753004 0.421291680238753 +M628.566T1488 628.565568194317 628.564958923898 628.566052914382 1488.4357910167 1473.42882696822 1494.86883544996 34 2 21 [298][M]+ [M+H+NH3]+ 610.532 42 1.05242539402624 -0.0959303458181837 0.931476535417289 +M628.566T1454 628.565673463637 628.565019636936 628.566260650691 1453.54771463116 1438.90123779656 1468.60635714916 41 2 17 1254 1.42098751782075 0.736839630728044 0.526186782145809 +M628.565T29 628.565341252027 628.564498291937 628.566096384105 29.219030217795 4.93778773274329 60.3918035522112 28 2 17 417 1.26695980870111 0.438717346800557 0.698218642449894 +M629.568T1402 629.568461502849 629.566295717719 629.569294257458 1402.38872246048 1384.03940802993 1466.15270682687 81 2 23 1084 1.84188275800594 1.47081035600306 0.225109135394515 +M629.568T1491 629.568377653164 629.567850785547 629.569015975996 1490.97817798872 1475.797898353 1498.56466018739 27 2 22 [298][M+1]+ 1074 1.22128035031777 0.300357252698293 0.790802973883676 +M630.57T1398 630.570419832313 630.568478151164 630.571602103319 1397.5362744605 1384.43505080236 1406.08456668277 23 2 19 19 1.59156187797102 0.678171925473995 0.559422837470261 +M630.571T1490 630.571024406555 630.56973226524 630.57158372936 1489.64958788692 1434.79781188111 1499.99882696822 19 2 11 [298][M+2]+ 1075 2.41299247380791 2.20163791904279 0.107190316156988 +M632.332T1005 632.331986910798 632.328189215829 632.33340389393 1004.92241855264 1004.25589447498 1014.50811754454 23 0 22 1128 116.913787665882 6.52292303704226 6.35240970714435e-07 +M633.155T992 633.155191744014 633.150073506809 633.15569101334 992.301881137476 992.031557682046 992.379985088427 3 3 0 1059 64.4074302766325 -18.4730289804596 0.00289281285499854 +M633.183T116 633.18321728605 633.179292280036 633.18472499911 115.537157122939 114.649278927313 115.915527816495 24 0 24 [299][M]+ 6 Inf 4.34284780776481 0.000190334637654388 +M633.371T1080 633.371348326297 633.368671697827 633.374024954768 1079.97614844458 1079.93175364339 1080.02054324576 2 2 0 734 11.6038687790626 -2.28285400625304 0.149486422929636 +M633.521T1385 633.521103523576 633.520717961551 633.521749384452 1384.81944914955 1375.46463035319 1403.5194713185 25 2 22 [300][M]+ [M+Na]+ 610.532 62 1.11982928544956 0.236403956370984 0.833342546744775 +M633.521T1487 633.520654386365 633.52015272625 633.521274127198 1487.07863648983 1455.95711408196 1498.63882696822 26 1 20 [301][M]+ [M+Na]+ 610.532 42 1.23491275454451 -0.373542710092733 0.741161632669702 +M634.186T116 634.185870961889 634.183769592191 634.187812249611 115.505011886995 114.497993602145 115.915527816495 17 0 17 [299][M+1]+ 695 73.4904229833051 4.3121843488417 0.000205611618405932 +M634.469T1078 634.468939268494 634.465048584652 634.472491802531 1078.01042950416 1077.54264003239 1078.36348677808 29 2 27 [302][M]+ [M+H+NH3]+ 616.435 8 21.4684487222136 -5.76859896205463 0.0286190683437633 +M634.524T1384 634.524090930183 634.52366158427 634.52475213351 1384.43505080236 1377.49522338541 1394.52451962073 23 2 21 [300][M+1]+ 62 1.15162127354265 0.300739336990886 0.790104822117156 +M634.524T1491 634.523820104377 634.523412301782 634.524269509192 1490.75736567947 1480.92720474316 1498.51074349448 18 1 17 [301][M+1]+ 42 1.14948472614641 0.267171152409727 0.806553821518839 +M634.679T1078 634.678801772806 634.675879886391 634.68134036477 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 735 66.5353496816299 -3.4339329514182 0.0753174362833235 +M635.471T1078 635.471316077062 635.467090256159 635.473449200152 1077.94025450139 1077.59158495262 1078.46950733062 16 3 13 [302][M+1]+ 8 21.6777734597502 -5.15506319258886 0.0355262446261255 +M636.327T972 636.326812343435 636.32381835452 636.327722740592 971.761213535082 971.009246251199 986.477357907693 18 0 16 [M+Na]+ 613.337 117 122.424056324382 5.47427538958899 9.63506927575963e-06 +M636.475T1078 636.474586501597 636.469020638044 636.474747328088 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 [302][M+2]+ 8 17.084570615364 -5.00738312142957 0.0375034514535035 +M637.321T1109 637.320916440461 637.316498103002 637.321682456511 1108.66813227514 1107.75734234466 1113.00753739648 10 3 7 [303][M]+ [M+H]+ 636.314 103 6.09059513691174 -0.999310667914373 0.422036976376366 +M637.36T323 637.359908294921 637.355165967331 637.361550124403 322.578381173767 313.740628955049 334.954568619245 5 3 0 [2M+K]+ 299.205 [M+K]+ 598.397 107 186.993116782958 -3.5839875000925 0.0697958060503416 +M637.442T1103 637.442022185735 637.435697443631 637.442947777662 1103.36376483243 1102.91033579714 1104.53472756717 7 2 5 145 16.2805429240936 -1.13705170732362 0.373298540691121 +M637.473T1078 637.472937608613 637.470354446561 637.475520770665 1078.07791921779 1077.98191204481 1078.17392639076 2 2 0 [302][M+3]+ 736 9.6004205075096 -5.65607072467361 0.0277989648715036 +M638.324T1109 638.324100394377 638.321900902586 638.325285312303 1108.6124990864 1107.75734234466 1113.00753739648 8 2 6 [303][M+1]+ 103 6.25907404223367 -0.996149389497734 0.423330081824143 +M638.345T962 638.344800466738 638.341624662426 638.345719248291 962.458180870798 961.398657809597 977.288078534232 33 0 20 [M+H]+ 637.338 93 72.9196752797561 5.06466613273374 2.82676935701165e-05 +M638.361T313 638.360620651774 638.357289020222 638.363952283325 313.016016960343 308.768248942694 317.263784977991 2 2 0 1274 438.901404293071 -5.82482052107605 0.0282272035533444 +M639.348T962 639.347645583498 639.345216031775 639.348531983162 962.092547231538 961.398657809597 976.981721573166 21 0 16 808 24.1083048560957 4.90363269958854 4.19611461914826e-05 +M639.352T389 639.352082573864 639.346009754035 639.352360097441 388.715400428444 382.691813435059 395.332701776501 3 3 0 1338 8.77920143733789 -5.7404321800804 0.0287263050079789 +M639.353T461 639.352574026472 639.346768642369 639.352771420456 461.443997566778 444.379385348791 469.520713933777 3 3 0 1313 27.065953188229 -29.6196118966358 0.000937124512238707 +M639.424T1078 639.42386059166 639.41906184855 639.424806248602 1078.00008386697 1077.59158495262 1078.35300542402 29 2 27 [304][M]+ [M+Na]+ 616.435 8 17.6160280516874 -7.30922271054069 0.0180594874883906 +M639.636T1078 639.635701724076 639.63280014591 639.636312336297 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 737 43.4609412780517 -4.67939126827042 0.042717577054777 +M639.74T1078 639.740247486759 639.737814824332 639.74061360702 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 738 34.0092248935188 -5.83059590486344 0.0281071999647271 +M640.362T997 640.36152477393 640.358781802958 640.36226402134 997.109987800739 996.090268813947 1007.99235824599 49 0 27 [305][M]+ [M+H]+ 639.354 38 227.953063578581 5.76886886021705 4.47477937859375e-06 +M640.405T790 640.404582950167 640.40178133484 640.405670767287 789.968150582393 789.031368136506 790.609378268295 25 0 25 1177 668.592963140842 10.1260518278696 1.63023372579119e-10 +M640.427T1078 640.42686119117 640.422199527272 640.428526575299 1077.99099795589 1077.54264003239 1078.35300542402 30 3 27 [304][M+1]+ 8 18.8326811504231 -7.47750078055383 0.0172584118759342 +M640.639T1078 640.639480310972 640.636166078834 640.641102139156 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 739 15.1405995095624 -4.05586370299048 0.0546347962010296 +M641.364T997 641.363569920317 641.360655451057 641.364743954113 997.102984485602 996.090268813947 1007.64506857593 38 0 26 [305][M+1]+ 38 188.419046586723 5.83179083679972 3.80255750109804e-06 +M641.427T1078 641.42670265407 641.424987369866 641.430790277521 1077.98191204481 1077.7922815655 1078.17392639076 5 3 2 [304][M+2]+ 8 25.3068360461051 -7.35979031342108 0.0178671818777369 +M642.266T1015 642.265692494879 642.260018817722 642.267790206907 1015.10758847206 1013.12669292955 1024.42441851427 32 0 21 620 44.0060313615844 12.2879523567849 2.17159623616681e-12 +M642.366T997 642.365877786868 642.36379080133 642.367389365729 996.823733389441 996.090268813947 1007.38268756027 20 0 16 [305][M+2]+ 38 66.7623215786942 5.96605511651334 2.67622597949213e-06 +M642.377T1030 642.377179600419 642.374251616079 642.378205021158 1030.25259784737 1028.74708064975 1040.49092219511 41 0 26 [306][M]+ 621 107.232871633238 5.1227641062299 2.42804676897634e-05 +M642.428T1078 642.427645690054 642.426405953183 642.433820556317 1078.17392639076 1077.9056040861 1079.33336813273 5 3 2 [304][M+3]+ 8 6.47444617786754 -7.51573055483151 0.0105237724850182 +M642.544T1340 642.543717622133 642.542115090426 642.544793477748 1340.34088712336 1330.7662853981 1363.96490088535 41 0 26 17 118.584100554311 5.16585628567202 2.14903516200238e-05 +M643.379T1030 643.379210970895 643.375011098812 643.380536838891 1030.18759479779 1028.92802033643 1040.21287092379 30 0 19 [306][M+1]+ 622 78.9629103583784 5.10731496384568 2.53199761570677e-05 +M644.393T1078 644.393147259671 644.390228636837 644.394120787078 1077.50646087506 1065.88915633072 1091.41110863992 20 0 18 [3M+Na+2K-H]2+ 396.297 8 30.816962181086 3.16636840362743 0.00391279550874502 +M645.361T790 645.360804299421 645.356719453356 645.361826715504 789.693683280157 788.35308469791 790.047892667125 18 0 18 1178 Inf 11.0348245050775 2.62532218187062e-11 +M647.151T535 647.151268586874 647.147638885228 647.152159607366 535.082425289294 515.31259523144 535.850343324808 42 0 27 [M+Na]+ 624.162 47 Inf 13.5895847404338 2.53574938824386e-13 +M647.187T666 647.187457071291 647.184769315619 647.189214586252 665.514529495575 649.360994804834 666.119921415963 29 0 17 [M+Na]+ 624.198 152 19.2434571677419 5.09824737804663 2.332182274567e-05 +M647.5T1338 647.499882020811 647.498964896879 647.500450292352 1338.46459391274 1317.53538807566 1344.43834563969 43 0 27 [307][M]+ 826 1572.79425424666 6.83580764384197 2.95472424971521e-07 +M647.5T1361 647.499857865119 647.496388892618 647.504102159552 1360.77038947276 1358.36161490631 1371.09160528789 26 0 24 74 304.453465723528 6.09185613622662 1.9433559308446e-06 +M648.481T1091 648.480718986709 648.478154826441 648.483283146977 1091.08481856232 1090.96184396152 1091.20779316313 2 2 0 925 4.49071082683799 -1.13070885279967 0.373118943636628 +M648.503T1343 648.503025623405 648.496279974755 648.503700834167 1342.74090011599 1330.98886372141 1371.09160528789 51 0 27 [307][M+1]+ 17 488.352352956191 5.95961786727878 2.72908616416601e-06 +M649.243T1045 649.243075212479 649.238495108615 649.243963860723 1045.24459540285 1044.93815015754 1045.4176017693 3 3 0 523 456.645636931559 -4.66495483949551 0.0430071583306821 +M649.495T1484 649.494749235756 649.494221591709 649.49527798857 1483.86687334074 1463.69679510326 1499.92513867446 40 2 20 [308][M]+ 1076 1.4540078274949 0.633219377255377 0.575060724250767 +M649.495T1383 649.495088496822 649.494595631175 649.495704498903 1383.2554849073 1381.465520817 1385.52111647183 22 2 20 [309][M]+ [M+K]+ 610.532 62 1.24424295144599 0.481347899411613 0.674893924760083 +M649.495T39 649.495373614815 649.494356398762 649.495742158666 38.7486124811813 36.6810619796878 78.5947079774856 25 1 16 418 1.06093942593281 -0.087861578214934 0.936566530105194 +M649.495T1423 649.494939516573 649.494167526187 649.495752745966 1422.63338152966 1413.64064802343 1433.76811805905 20 2 16 [310][M]+ 59 2.69234480192961 2.94652699513463 0.0563512649778724 +M650.499T1384 650.499051153735 650.492121498267 650.499794461956 1383.65414762243 1371.09160528789 1396.56451962073 22 2 20 [309][M+1]+ 62 1.20569480727347 0.402966527840362 0.722827886282017 +M650.499T1488 650.499139692819 650.498392072647 650.499616286606 1488.02379168962 1470.08110837402 1497.19466018739 24 2 18 [308][M+1]+ 1077 1.25146209631689 0.294921040192586 0.793886904262149 +M650.5T1421 650.499581702275 650.498365106413 650.50059729947 1420.9298762842 1410.5683456515 1431.29920032703 23 2 16 [310][M+1]+ 59 1.3437157448017 0.608164276801476 0.598533843468387 +M651.952T46 651.951826188487 651.95082350621 651.951981101646 45.5543061888012 36.4752134531536 46.016556168295 3 2 0 1172 9.21681054359292 -2.13394680943133 0.165794794770977 +M653.237T502 653.237296205481 653.233957476002 653.237660347219 501.949757155999 501.478466528296 502.63969665573 26 0 26 [311][M]+ [M+H]+ 652.229 [M+H-C6H10O5]+ 814.285 65 1925.44035734201 8.37555558429668 7.40190975179189e-09 +M653.439T1091 653.439186632751 653.433438127426 653.439595866638 1091.20779316313 1090.96184396152 1091.23518463525 3 3 0 [312][M]+ 916 13.6781678923334 -1.86844627386283 0.202305990994426 +M654.241T502 654.240570912781 654.237534680766 654.242134373581 501.965635142699 501.481366794745 502.401781142654 16 0 16 [311][M+1]+ 65 Inf 8.96840134555372 1.94498395167386e-09 +M654.44T1091 654.439629860958 654.436417522615 654.442842199301 1091.22148889919 1091.20779316313 1091.23518463525 2 2 0 [312][M+1]+ 29 11.4106230750534 -1.92616119539533 0.193257110355789 +M654.953T38 654.953475367785 654.953431755227 654.95936098791 38.021784472386 37.3880785037301 51.5930394334782 3 2 0 [2M+Na]+ 315.985 1 14.1118428861645 -5.19834986916397 0.0344115796043925 +M654.961T52 654.960752650006 654.960253444623 654.961720458235 52.292292590024 37.8378576727158 52.9309561425014 10 2 7 845 5.73652983812962 -4.78928004515188 0.0340480693999039 +M655.198T936 655.198330002139 655.193123831858 655.19923401 935.849948033231 935.806049981305 936.741868565556 3 3 0 35 20.6488593370693 -20.6303824206739 0.00220625616862979 +M655.398T1078 655.398041749807 655.392956791182 655.399007439533 1077.94375806545 1077.78739831737 1078.43754024992 6 3 3 [313][M]+ [M+K]+ 616.435 8 17.879759046476 -5.69028755413245 0.0294613245282742 +M655.505T1287 655.50485502644 655.504372711097 655.505328276319 1286.6037026228 1271.93394389016 1312.71967342477 30 1 22 1314 1.98770037507672 0.950955592027025 0.426394261674567 +M656.402T1078 656.401595834529 656.395941230931 656.401743677005 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 [313][M+1]+ 740 13.157375182875 -4.374965170604 0.0483798915087834 +M656.596T1400 656.596124345925 656.595601754189 656.59693140848 1400.21000884032 1387.16407818311 1416.6700492705 10 2 4 850 2.92084711169261 2.89182570803835 0.032590737995281 +M657.401T1078 657.401358308797 657.39562305398 657.402014301565 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 [313][M+2]+ 741 15.1694409127833 -4.26433642659228 0.0505148358193983 +M657.512T1373 657.511508067091 657.508286248843 657.514204132624 1373.30787601399 1371.09160528789 1374.08402379294 17 1 16 32 2.15498300017865 1.42379053280098 0.22121385440566 +M659.303T1108 659.302885782927 659.297225186628 659.304086577022 1108.14158715311 1089.77680144313 1114.57093387571 11 3 7 [M+Na]+ 636.314 103 1.22518772268866 -0.211194115042492 0.848341700029624 +M660.263T989 660.262800861528 660.260088382319 660.264380682737 989.24726515747 988.117350870489 1000.77801327603 27 0 19 1014 23.0928556855351 14.5262637016416 2.48689957516035e-14 +M660.327T962 660.326890873791 660.322965562097 660.327763842279 962.425379003508 961.398657809597 976.981721573166 26 0 16 [M+Na]+ 637.338 93 54.3050376223197 5.39462556609717 1.18032400902024e-05 +M662.344T997 662.343776197502 662.340696545189 662.345030334691 997.043636490527 996.090268813947 1007.56061682331 41 0 26 [314][M]+ [M+Na]+ 639.354 38 204.160316360811 6.08054849794784 1.99775231912724e-06 +M662.498T1078 662.498432294511 662.497885586497 662.498979002526 1077.70201545432 1077.23010451787 1078.17392639076 2 2 0 8 1.89121992211755 -3.37339560554594 0.0448300301959592 +M663.347T997 663.346749062361 663.34350769354 663.348353330164 996.79590060352 996.090268813947 1007.45307325998 30 0 22 [314][M+1]+ 38 39.8894918466606 5.89855081820416 3.03737834439488e-06 +M664.359T1030 664.359312280234 664.356159118067 664.360414689572 1030.02778899391 1028.92802033643 1039.95780894527 32 0 22 525 127.677437661288 4.83620551868446 5.17653773883797e-05 +M665.201T632 665.201037286741 665.197508909405 665.202465061934 632.354863421763 631.668901220721 648.623761658362 34 0 25 [315][M]+ 110 35.8554976192678 4.07996199868736 0.000374552623829016 +M666.205T632 666.204674658137 666.201716830278 666.206047911588 632.302720530888 631.668901220721 647.846829012861 16 0 15 [315][M+1]+ 110 33.3211487096443 4.08015250320027 0.000373736879843545 +M667.181T607 667.180847334604 667.178375041573 667.182423661771 606.509129510025 606.169500690676 606.927189605309 21 0 21 1364 Inf 9.82234351971664 3.07525116483021e-10 +M669.592T1390 669.591853186002 669.590776624472 669.592844881535 1390.22646658415 1389.35838950631 1392.83141126283 21 2 19 44 1.11314822528547 0.221226204509556 0.844243035426988 +M670.93T38 670.930312810774 670.927218765864 670.933406855685 38.0450651601311 38.021784472386 38.0683458478762 2 2 0 [2M+K]+ 315.985 1 6.06060554430971 -3.24351834830892 0.0823384365330737 +M673.011T1373 673.010580375669 673.005057745583 673.011795216343 1373.36778688795 1372.52054086473 1374.6711236874 30 3 27 32 1.19413706953238 0.846729316580134 0.466705872800186 +M675.147T1026 675.14719048444 675.141721986154 675.148367331951 1025.95180806445 1025.60390035906 1026.37444661954 30 3 27 [316][M]+ [2M+Na]+ 326.08 522 1.27772103679723 -0.751214624094918 0.524732198794491 +M675.296T1069 675.296359579568 675.293290720091 675.29909273408 1068.56274146022 1068.42213893876 1089.77680144313 4 3 0 458 26.8901412114523 -1.72763891016209 0.226119809438797 +M676.151T1026 676.151006088285 676.14905906434 676.153071126507 1026.04193166328 1025.60390035906 1026.37444661954 14 2 12 [316][M+1]+ 522 1.28459804751794 -0.743410294804678 0.52996880331121 +M677.167T844 677.167450219982 677.162858560661 677.168756014021 844.020825281978 843.038688530069 844.065634599876 3 3 0 13 4.57390810878974 -19.7698388794657 0.00221880486299275 +M677.402T1079 677.401666283199 677.395598666901 677.402000512763 1078.66153210845 1078.58103808562 1078.8508363075 3 3 0 742 15.7879884833 -2.50287795392586 0.129102380786916 +M678.496T1077 678.495735841605 678.490842929122 678.497595977704 1076.99200825249 1076.55457866749 1077.49489187967 27 3 24 [317][M]+ 699 33.4658476682689 -6.00771389647385 0.0265543692449797 +M678.716T1077 678.715698785853 678.715534779872 678.715862791833 1076.68728920597 1076.55457866749 1076.81999974445 2 2 0 743 94.7419064769477 -4.22842598435675 0.0516244032570157 +M679.025T1373 679.02545252696 679.020227433172 679.02915547684 1373.25686652693 1370.90620664167 1374.48691290555 13 2 11 32 1.14344545326653 -0.382866598529982 0.731258922036437 +M679.498T1077 679.498110983923 679.494018662721 679.499780959253 1077.07970992012 1076.55457866749 1077.47431955552 9 2 7 [317][M+1]+ 701 30.6860953968129 -5.45678592833017 0.0319444946464544 +M680.328T992 680.327548202768 680.32311487386 680.329277105074 992.263459078026 991.369927550123 1003.64234073666 36 0 23 1013 70.2860867795274 10.9723656799908 2.69722022494534e-11 +M680.501T1077 680.501434318721 680.496185116981 680.501903319859 1076.62213267383 1076.55457866749 1076.81999974445 3 3 0 [317][M+2]+ 8 21.5886479192107 -5.94991203041318 0.0269568539082399 +M681.141T457 681.140933637304 681.138007886669 681.142007893141 456.945534235756 456.128675848941 457.420103095544 23 0 23 [M+K]+ 642.183 27 Inf 10.3142678230251 1.10873532577216e-10 +M681.269T568 681.269077352463 681.266254926178 681.270135569267 567.891853432664 567.429691443846 568.229948369042 27 0 27 [318][M]+ 1114 Inf 10.2000060262991 1.40140787863174e-10 +M681.5T1077 681.500103984944 681.49727148943 681.502936480458 1076.72106620914 1076.62213267383 1076.81999974445 2 2 0 [317][M+3]+ 744 11.8858750808943 -9.62199421101344 0.00848430804033562 +M682.272T568 682.272315459227 682.269207450586 682.273435128683 567.83010555385 567.429691443846 568.354891868437 23 0 23 [318][M+1]+ 1115 Inf 9.98890481612394 2.16964002319742e-10 +M683.451T1077 683.451064930309 683.444852842575 683.452508825713 1076.86361589899 1075.68667533811 1078.43754024992 31 3 27 [319][M]+ 702 32.8637965568497 -9.3179741708831 0.0113016603027833 +M683.669T1077 683.668527218873 683.665897860144 683.669540575065 1076.62213267383 1076.55457866749 1076.81999974445 3 3 0 745 56.730543683255 -5.43647983378896 0.0321621823643961 +M683.776T1077 683.775895394374 683.772439129445 683.779351659303 1076.72106620914 1076.62213267383 1076.81999974445 2 2 0 746 34.3183645700964 -6.48276493963059 0.0228565820987163 +M684.263T980 684.262939123179 684.25970144323 684.26408438334 980.441882298567 979.761381762065 991.414132687785 19 0 16 819 65.157427310031 13.4719364546967 2.21822560320106e-13 +M684.325T997 684.325326462069 684.321823202183 684.327576738241 996.79590060352 996.090268813947 1007.22858691909 36 0 24 [M+2Na-H]+ 639.354 38 336.672112696396 6.33362075716674 1.04664183231407e-06 +M684.456T1077 684.455545789742 684.449869398042 684.458871885558 1076.81999974445 1076.40078750406 1077.49489187967 23 3 20 [319][M+1]+ 700 34.4457404934324 -8.81041214231805 0.0126212859213997 +M684.674T1077 684.67431023476 684.668097040046 684.674803719184 1076.62213267383 1076.55457866749 1076.81999974445 3 3 0 747 38.8787006807105 -7.5905846951349 0.0167953714528943 +M685.458T1077 685.457571971798 685.451827441617 685.457973500668 1076.62213267383 1076.55457866749 1076.81999974445 3 3 0 [319][M+2]+ 8 17.6715994547429 -8.70835067319881 0.0127789631396089 +M686.279T1019 686.279289987485 686.275408592169 686.280581398625 1019.27293291471 1009.020541079 1020.48939197353 42 0 27 623 15.1250394794723 10.6365796014533 3.80702136482114e-11 +M686.463T1077 686.46313536998 686.462651725465 686.463619014496 1076.68728920597 1076.55457866749 1076.81999974445 2 2 0 [319][M+3]+ 748 6.46832541884612 -6.42791034277115 0.015805726410103 +M688.295T1044 688.295346917014 688.291534017464 688.296868000302 1044.25933107305 1042.35726052243 1053.28073354451 38 0 25 548 20.6231084169609 6.45318808687907 7.43478128395481e-07 +M688.983T1375 688.983393148475 688.97935013163 688.984560843107 1375.35486827918 1373.80985928953 1376.15506552099 30 3 27 [2M+3Na+K-H]3+ 980.024 32 1.11112638450019 -1.13090351768529 0.362712978819312 +M690.984T1374 690.984012396402 690.976646913892 690.984629491112 1373.83177010941 1372.85021254433 1374.8955132643 28 3 25 32 1.17149146569465 -1.37688241345373 0.28144795589684 +M691.218T840 691.217598926431 691.214649454792 691.219456401132 840.484721087467 839.37950322354 840.918115787711 26 0 26 [320][M]+ [M+H]+ 690.21 179 71.0501662922727 8.09803818470384 1.37195270699664e-08 +M692.22T840 692.220499653264 692.217629854142 692.222061919583 840.155214803037 839.37950322354 840.918115787711 15 0 15 [320][M+1]+ 179 230.950609366889 8.76788295969552 3.02210412250759e-09 +M692.514T1090 692.513983732977 692.508951284851 692.514097920154 1090.49108665996 1089.55779069525 1090.52491166431 3 3 0 926 10.6037231679619 -1.34044236942781 0.311918836269781 +M692.98T1374 692.979970317104 692.975430828294 692.981557325379 1373.76016116794 1372.63744541247 1374.89628729276 28 3 25 32 1.00284049963513 0.0147216502432682 0.989456654005882 +M693.505T1089 693.50463270884 693.504163462882 693.505101954799 1089.10581804648 1088.43483464984 1089.77680144313 2 2 0 749 1.58119259363495 -0.759321623874038 0.522723321953199 +M697.467T1090 697.467315858177 697.466909409485 697.46772230687 1090.04270947115 1089.8265736107 1090.2588453316 2 2 0 927 5.85299883730309 -1.90376433355639 0.193196585836891 +M699.426T1077 699.425596499231 699.419976440076 699.425766776609 1076.62213267383 1076.55457866749 1076.81999974445 3 3 0 [321][M]+ 750 29.140389181397 -5.81175723001742 0.0283129681328278 +M700.426T1077 700.42611852246 700.422791144415 700.429445900504 1076.58835567066 1076.55457866749 1076.62213267383 2 2 0 [321][M+1]+ 751 38.5946324003056 -5.51715360853568 0.0312044630253228 +M701.429T1077 701.429031707988 701.422362432137 701.429317908239 1076.62213267383 1076.55457866749 1077.49696795353 3 3 0 [321][M+2]+ 752 13.6935419645306 -3.95742513310201 0.0574570111845918 +M704.228T41 704.228474501434 704.224996955729 704.229066598797 41.4570068152341 40.7991322550327 41.7837440863734 16 0 16 [322][M]2+ 419 2728.489513121 6.05720983291139 2.1245631014466e-06 +M704.328T993 704.328336102106 704.324389677316 704.329499762222 993.368513313919 983.170961965166 994.43186044193 25 0 20 1018 380.494519225202 8.47236332658552 5.92118865050395e-09 +M704.73T41 704.730173233868 704.726629435555 704.730836733111 41.446462979279 40.7991322550327 41.7837440863734 15 0 15 [322][M+1]2+ 420 Inf 6.10989777985488 1.85551544729101e-06 +M706.345T1014 706.344997213435 706.341353863661 706.345843537181 1014.11132563796 1013.12669292955 1023.55484292501 45 0 27 [323][M]+ 1085 103.281805420615 14.9331371126987 2.66453525910038e-14 +M706.527T1077 706.527406581358 706.527188559264 706.527624603452 1076.68728920597 1076.55457866749 1076.81999974445 2 2 0 753 5.39605420301743 -12.328311282748 0.000141241635905232 +M707.213T732 707.212720012614 707.209381132115 707.213518180114 731.906639332343 731.43694921603 732.218949076918 27 0 27 [324][M]+ [M+H]+ 706.205 64 Inf 9.61212149333283 4.80037343209005e-10 +M707.348T1014 707.347971890056 707.343637711779 707.349353884444 1014.13493700025 1013.12669292955 1023.31313950464 41 0 26 [323][M+1]+ 46 48.9877374565714 13.5726561385206 1.34114941374719e-13 +M707.538T1326 707.537523410578 707.536249302322 707.540023945564 1325.84087860214 1312.50682737273 1343.0914157975 16 1 14 911 2.82744439720895 2.0234032469025 0.126036038529496 +M708.216T732 708.216233482881 708.212479756585 708.217139454809 731.764593345529 731.304079130381 732.218949076918 17 0 17 [324][M+1]+ 64 Inf 10.0650195842734 1.85210513592438e-10 +M708.361T1047 708.361021932901 708.357493802087 708.361936131167 1046.76437440964 1045.78821443403 1056.01043260934 42 0 27 [325][M]+ 624 240.372618676774 6.43596787983807 8.06968032396327e-07 +M709.228T762 709.22818129464 709.224283668098 709.228769250505 761.882305124338 761.256958653791 762.811417599898 18 0 18 196 975.109718480405 10.2577996026356 1.24153354263967e-10 +M709.364T1047 709.36388715784 709.360209312001 709.365424111705 1046.70127189685 1045.78821443403 1056.01043260934 37 0 26 [325][M+1]+ 625 76.5739187899501 9.35378638277023 8.03027866425055e-10 +M709.508T46 709.507987489571 709.50791690989 709.508058069252 46.125577990045 45.3352883082852 46.9158676718048 2 2 0 55 1.53624645051633 -0.68912256689135 0.559050539925927 +M713.2T840 713.19985977686 713.197104751903 713.200996998181 840.079750581381 839.37950322354 840.721360173657 23 0 23 [M+Na]+ 690.21 179 80.8240668232208 9.45234820245675 6.68141542092826e-10 +M713.438T424 713.437728908724 713.431098960573 713.437805594637 423.900477227507 413.84705015954 441.600148840771 5 3 0 164 33.7961112151288 -3.60525882857686 0.0690394899713831 +M713.437T370 713.437153111087 713.430674937548 713.437698999491 370.342334510633 363.725941582351 376.277259838636 3 3 0 1326 24.8536206251133 -11.8294467012926 0.00699585125560187 +M715.525T1376 715.524788850142 715.523428720405 715.526551874047 1376.44656442966 1375.71415907301 1378.96946439974 23 2 21 82 1.17776764729703 0.356845111237292 0.752795147083056 +M716.535T1376 716.534728355798 716.532066271109 716.536280056109 1375.81027560367 1375.2261297905 1376.46350039072 19 1 18 959 1.62429556239745 1.01562499837399 0.401702290020651 +M721.429T1078 721.428736547487 721.422644192185 721.428867952542 1077.98191204481 1077.9056040861 1078.17392639076 3 3 0 754 23.5498499185906 -2.78490950244771 0.108296253150273 +M722.519T1076 722.519326373709 722.516744107955 722.523876682279 1076.10519113445 1075.25218438585 1076.40078750406 11 3 8 463 44.5270152199712 -6.46939214904241 0.0230436441824924 +M723.208T567 723.207616553487 723.204728985797 723.208796267167 566.584627090998 566.188057963246 567.11169282517 27 0 27 [326][M]+ 1116 1208.87261086311 13.3546404057398 3.77475828372553e-13 +M723.526T1076 723.525987590727 723.520708691591 723.527229535807 1076.42890981382 1075.25218438585 1086.63858976628 9 3 4 [M+H]+ 722.516 8 24.6716502848213 -6.57197051016963 0.0220980315617498 +M724.211T567 724.21086264787 724.207714400562 724.212264014069 566.597619437754 565.88170315366 566.993242177851 23 0 23 [326][M+1]+ 1117 Inf 13.3004582667588 4.14779321999958e-13 +M724.528T1075 724.52777811446 724.522615153237 724.528559361393 1075.46603415109 1075.25218438585 1075.86893622228 3 3 0 466 5.03958660312757 -6.01004693341627 0.0099147150868184 +M725.223T588 725.223459463401 725.220687839597 725.224496929446 588.363728828575 587.855168720555 588.639262511844 16 0 16 206 Inf 9.36706133983216 8.12524714177698e-10 +M725.583T1340 725.582801973218 725.5816285047 725.58396079177 1340.21912457551 1320.3385354691 1366.04654140157 47 0 27 [327][M]+ 17 155.799049365895 12.9893835343048 6.88338275267597e-13 +M726.523T1098 726.522719623073 726.517522961829 726.52456105184 1097.54016802286 1066.9984412479 1113.1294750237 16 2 11 1303 1.12524846883733 -0.248860145226229 0.820205634894676 +M726.586T1341 726.585591766335 726.58258453511 726.587108795101 1340.64620062035 1320.3385354691 1366.04654140157 42 0 27 [327][M+1]+ 17 65.0470831068921 11.0284889965522 2.56488164041002e-11 +M727.484T1076 727.483831057254 727.479949056206 727.489213702073 1076.0116985104 1075.57834747497 1076.31649035169 14 2 12 485 42.4147926644066 -46.3240265695035 0.000412612832673798 +M727.505T1086 727.504659448707 727.502177367992 727.505949953782 1086.35975500781 1079.83512967177 1087.46643802987 3 2 1 755 2.76834233744498 -2.88706893472618 0.0872940303679561 +M727.587T1341 727.587472304771 727.585717740832 727.589212361531 1340.57182627245 1319.65653004657 1344.57469018687 22 0 19 [327][M+2]+ 17 23.0882289977933 8.17603792700876 9.2286427388899e-09 +M727.703T1076 727.70279593907 727.699532297289 727.702895077497 1075.94217990315 1075.86893622228 1076.14302179861 3 3 0 461 89.7685131689278 -7.26076928826852 0.0184320676548584 +M728.271T627 728.270819674166 728.267631665412 728.271653973412 627.46667363284 627.020106701317 642.447154352018 28 0 27 [328][M]+ [M+H+NH3]+ 710.237 134 2593.83678985937 9.86282648327857 2.8235103144425e-10 +M728.484T1076 728.4839924658 728.480682029139 728.489474934576 1076.00597901044 1075.74966477582 1076.40078750406 6 2 4 [329][M]+ 486 11.6554389630731 -11.9954288273523 0.00405774328972552 +M728.541T1041 728.540574231004 728.537915629063 728.542753091876 1041.34114878317 1000.55441203467 1069.44771317345 37 2 11 544 1.75710399940526 -0.613172561858158 0.598137235756315 +M729.195T732 729.194724249387 729.192146907164 729.195805029709 731.906639332343 731.482279133794 732.430838367283 27 0 27 [M+Na]+ 706.205 64 Inf 11.2477979025973 1.73536740533109e-11 +M729.274T628 729.274101422361 729.270867949253 729.275851994435 627.578961457303 626.697609349593 627.935005411595 18 0 18 [328][M+1]+ 134 Inf 10.2686918997447 1.21709309297557e-10 +M729.489T1076 729.488834889841 729.488466194772 729.48920358491 1076.00597901044 1075.86893622228 1076.14302179861 2 2 0 [329][M+1]+ 487 5.82640852997408 -7.78280452623764 0.00537922436954652 +M729.543T1053 729.543415233161 729.541687462328 729.545500928812 1052.87871041831 1030.40636036076 1078.15535038073 8 2 3 980 1.0155061357386 0.030645380994747 0.977325517898349 +M730.557T1074 730.557428929133 730.556252478421 730.557949778758 1073.52348885494 1060.48373905378 1100.46749183374 27 2 17 [330][M]+ 488 1.75620034993987 -0.71181088157653 0.543920571216074 +M730.948T62 730.948378924456 730.940505588304 730.949518605869 62.2326810743616 36.7078101321514 87.7944152080081 15 3 5 [3M+2K-H]+ 218.013 424 10.3797210324155 -3.55003132298366 0.0680626639514554 +M731.561T1072 731.560902687221 731.559821035712 731.568464344284 1071.94895933979 1041.17218047581 1098.28000685801 25 2 16 [330][M+1]+ 489 1.40256815291057 -0.376179795333178 0.739982280812331 +M731.95T37 731.949792776876 731.948421376782 731.95116417697 36.9321720201691 36.7078101321514 37.1565339081869 2 2 0 421 4.63499252803199 -3.57279940007211 0.0692211421880649 +M732.572T1053 732.571853497523 732.570177287819 732.572816626057 1053.14282446267 1030.55804439579 1102.28908383922 35 1 14 980 2.17723296450317 1.08026472210869 0.315735807826587 +M733.226T628 733.226218158326 733.222974129487 733.227079572771 627.670374002676 626.697609349593 642.90240722935 36 0 27 [331][M]+ [M+Na]+ 710.237 134 Inf 9.97226692362534 2.24621654609791e-10 +M734.229T627 734.229448030317 734.226323549609 734.231120105242 627.457733823191 626.697609349593 627.935005411595 18 0 18 [331][M+1]+ 134 Inf 10.7494474421169 4.61022331421646e-11 +M735.332T990 735.331662825017 735.331137167669 735.332188482365 990.298982498257 990.260410337264 990.337554659251 2 2 0 1060 67.8449831239102 -6.70014715622711 0.0215359220769136 +M735.419T422 735.419495253864 735.412908690798 735.419695483098 422.284563784158 413.84705015954 432.220619822981 4 3 0 173 24.7453928764083 -4.23913716682884 0.051357362411685 +M735.416T367 735.416417276831 735.41304947025 735.419785083411 367.034138046492 363.725941582351 370.342334510633 2 2 0 1329 20.6418460482666 -4.08041725294626 0.0550689190005405 +M736.51T1088 736.510102399567 736.507240645159 736.511917740979 1088.47986871607 1077.04421805818 1101.41634835043 6 2 4 [332][M]+ [M+H-C2H4]+ 763.532 8 1.30022332399065 -0.641533397520125 0.569553977074492 +M736.964T52 736.963661278661 736.955699602695 736.963959803519 52.2108910993015 37.8378576727158 52.3602534631227 4 3 0 1173 4.70758252622581 -9.73787836021038 0.00228648893786021 +M737.202T936 737.202344509944 737.197398004142 737.20344838965 935.849948033231 935.806049981305 936.073154740285 3 3 0 35 20.3206396296839 -23.3421530877 0.00167555589011537 +M737.514T1087 737.513999475003 737.511021196791 737.518488217728 1086.61440113314 1049.72191745299 1109.33445764153 16 2 9 [332][M+1]+ 8 1.4405668546915 -1.19622886817318 0.284215257180961 +M738.52T1375 738.520473535027 738.518658150786 738.524506230446 1374.95927050484 1367.81295605266 1375.98580103339 22 1 20 960 1.8470641569305 1.36179017335383 0.270007568685986 +M738.524T1084 738.523589260633 738.516854261415 738.524665899463 1083.71824927094 1074.10716381016 1117.98604451047 14 2 12 [332][M+2]+ 8 1.6587364750933 1.03765806682599 0.367480869888605 +M740.539T1375 740.538822454199 740.53619504556 740.542426284941 1375.27034175785 1365.88397097231 1375.91749581319 20 2 17 [333][M]+ 961 1.05037053961459 0.0979048204692174 0.929499537874554 +M740.542T1050 740.541598342037 740.540042275244 740.549273084996 1050.31778115101 1025.97222702577 1106.42942736133 52 2 19 878 4.65441316190747 -1.57381558539878 0.255150439838593 +M740.541T1007 740.541325183101 740.539953218556 740.549750193144 1006.86326592349 985.217095542249 1017.16210917522 24 0 14 [M+H]+ 739.536 50 1.45540786452264 -0.424532912881885 0.71113036831693 +M741.544T1076 741.544094337768 741.537859958943 741.544758898035 1076.14302179861 1074.59794135262 1087.46643802987 5 2 3 490 3.58581079233174 -0.819078744251959 0.498179087356154 +M741.546T1376 741.545797103692 741.541708672272 741.546990276693 1375.71415907301 1375.14786120151 1376.0163403745 15 1 14 [333][M+1]+ 962 1.27952474151863 0.371111808002516 0.741933806487455 +M742.554T1375 742.553907517012 742.553156895418 742.55500351712 1375.4717963526 1365.34185129526 1375.91749581319 19 1 17 [333][M+2]+ 963 2.20929975048672 1.16015492504384 0.3420310131286 +M743.45T1076 743.450227864198 743.446733851987 743.45372187641 1075.90555806272 1075.86893622228 1075.94217990315 2 2 0 462 44.5499404255339 -4.22505833357863 0.0516191586330961 +M743.557T1376 743.557334679849 743.556013209746 743.55840249017 1375.54619333935 1365.34185129526 1375.91749581319 18 1 16 [333][M+3]+ 964 2.34854470887357 1.34245717941423 0.281487079772357 +M743.559T1050 743.559206566184 743.550849458738 743.559642866205 1049.73804526085 1037.61205830161 1075.19315031624 6 2 4 533 1.73980204599205 -0.490472517812615 0.67103005746037 +M744.267T552 744.266764792926 744.264117318174 744.267479148644 552.200864743781 551.804303348299 552.450345210591 27 0 27 [334][M]+ 1118 943.255029206293 11.7661898489973 6.44773123781306e-12 +M744.457T1076 744.45742121871 744.450268863168 744.457785348353 1075.94217990315 1075.86893622228 1076.14302179861 3 3 0 464 49.7939665589528 -3.78934881883439 0.0630013231981454 +M745.19T566 745.190171845928 745.187474633862 745.191155470154 566.188057963246 565.606334408498 566.652395100376 27 0 27 1119 78.1342858433607 19.6626295654825 0 +M745.27T552 745.269582459588 745.267001218986 745.270579583431 552.214288800617 551.841176064901 552.518027780646 27 0 27 [334][M+1]+ 1120 965.491744121119 11.8267449496715 5.75850478412576e-12 +M745.457T1076 745.456628323433 745.450975057476 745.456916112065 1075.94217990315 1075.86893622228 1076.14302179861 3 3 0 465 67.9934074214995 -4.29958000110619 0.0499525415864315 +M746.272T552 746.271545658788 746.268399781488 746.272682950785 552.128295545237 551.531589162451 552.518027780646 25 0 25 [334][M+2]+ 1121 Inf 11.1301627534229 2.17978968208854e-11 +M749.222T552 749.222067201013 749.21889703013 749.223233240458 552.201918434632 551.804303348299 552.571017402723 27 0 27 [335][M]+ 1122 Inf 11.4005315281025 1.29380950397717e-11 +M750.225T552 750.225117079325 750.222193241825 750.226997194945 552.201918434632 551.835521333441 552.484786268456 27 0 27 [335][M+1]+ 1123 Inf 11.1143577995404 2.24786855795855e-11 +M751.391T418 751.390526872517 751.387148784505 751.393904960529 417.597488700709 413.84705015954 421.347927241878 2 2 0 203 30.4776627816241 -2.1935158287064 0.159509477742142 +M751.394T437 751.39417946244 751.394114970204 751.394243954677 436.90920626188 432.899967871163 440.918444652597 2 2 0 207 25.9982150405571 -2.11741040091466 0.168375611447466 +M751.391T370 751.390521407685 751.38699209883 751.39405071654 370.340367116304 364.403474393971 376.277259838636 2 2 0 1327 47.2901145389782 -12.6912713921501 0.0059812644333368 +M752.539T1040 752.539328500763 752.537680949964 752.542233035703 1039.5231160075 1026.84683728441 1050.5510075492 38 1 15 557 2.16666889866966 -0.748106856002222 0.529768879452991 +M752.538T1007 752.538437635824 752.536947655145 752.541020986755 1007.25948559843 978.138215769009 1017.81855500821 39 1 17 [336][M]+ [M+H-C2H4]+ 779.563 50 3.96662587636135 -0.876617955076905 0.472423504717888 +M752.54T1078 752.540135506512 752.538217833153 752.543121758268 1078.35300542402 1059.86299007658 1102.09914529325 37 2 20 [337][M]+ [M+K]+ 713.586 8 3.2432420154717 -1.18311855886443 0.355974089887345 +M753.544T1078 753.543943551688 753.542404047695 753.548794487357 1078.09653700724 1059.86299007658 1101.84043305775 31 2 18 [337][M+1]+ 8 2.76614431155346 -1.10858633956249 0.379549770362748 +M753.543T1008 753.543299473612 753.541200379642 753.546533645337 1007.52386975613 997.697022512392 1027.09256927141 26 0 14 [336][M+1]+ 50 1.5294920906933 -0.49967123921612 0.658108173285971 +M754.555T1007 754.554601368373 754.551961090753 754.558776475259 1007.40730717125 978.647221189341 1018.87318993268 45 0 18 [336][M+2]+ 50 1.10436954627645 -0.143257737373785 0.895714236597868 +M754.555T1039 754.555273991073 754.551923007422 754.557775675858 1038.59542927955 1026.97909419504 1051.56042055244 35 0 18 523 1.36711761495931 -0.444486936953915 0.696511562130429 +M754.555T1079 754.555025829929 754.552210332747 754.558037093967 1078.55114825471 1059.49992705921 1102.41696324512 34 2 17 [337][M+2]+ 8 4.93888941728159 -0.950592691076477 0.441631087855645 +M755.015T1373 755.015071195574 755.010162769315 755.016482666992 1373.44280192144 1372.55330740855 1374.89628729276 28 3 25 [3M+2Na]2+ 488.014 32 1.02962238402579 -0.135363441628978 0.903287845003147 +M755.558T1008 755.558460379614 755.556780361675 755.559557247056 1007.63909977494 997.697022512392 1027.2895081691 28 0 14 [336][M+3]+ 50 1.154137242231 0.210920069681511 0.84468324019952 +M755.559T1052 755.559205997647 755.556717270622 755.561060379702 1051.56042055244 1035.14567870707 1102.41696324512 43 1 19 980 1.32950182520738 -0.457445113550952 0.687960706900755 +M756.571T1009 756.570842239642 756.568216305621 756.572766898217 1009.35594896474 988.362994179913 1028.51683128909 32 0 14 [336][M+4]+ 50 1.55606697026972 0.908224726497773 0.427737665340031 +M756.572T1052 756.57209952628 756.56893897322 756.573698283045 1051.53090585739 1030.25259784737 1103.55452861792 47 1 18 879 4.73876289297631 -0.85463140510744 0.482324999203056 +M759.358T1012 759.358142835665 759.351516264212 759.358146508789 1011.71867067939 1011.46932733335 1012.05413212206 3 3 0 954 221.225353027342 -8.77425635856611 0.0127357079492763 +M761.032T1373 761.032415198123 761.025100243981 761.033617177227 1373.35700715385 1371.87890350201 1374.48691290555 17 2 15 32 1.5164173462024 -1.07404436568819 0.382715531240236 +M762.331T992 762.331437132196 762.327557608556 762.333024307825 992.281460943354 991.537341978437 1003.3605031038 24 0 14 1013 42.6571694025003 14.6990635292416 3.73034936274053e-14 +M762.52T1374 762.520120478274 762.517395019531 762.521302686451 1374.12240704186 1367.40410453297 1374.95680679546 20 2 15 965 1.23195420555454 0.408675289928339 0.70547347737417 +M762.524T1084 762.523793124364 762.516492778471 762.524597250749 1083.65104454009 1074.39736271187 1112.23962535719 11 2 9 [M+Na+NH3]+ 722.516 8 3.61183431691932 -1.00874090945651 0.417879088571349 +M763.386T1020 763.386153693561 763.382643176332 763.389664210791 1020.06557892645 1019.89834480738 1020.23281304553 2 2 0 626 326.422661126351 -7.21938924164123 0.0186485749428675 +M764.538T1007 764.538228620921 764.537030785536 764.539355557905 1006.71920768024 976.774281548069 1026.71284455935 37 0 14 [M+H-CH4]+ 779.563 50 1.42511043982891 0.607327814758408 0.590950235676236 +M764.536T1374 764.536074430052 764.534153990818 764.537437177045 1374.01406816241 1367.17950442577 1375.38172557118 19 1 14 966 2.02761139707615 1.18145667137653 0.29086959385912 +M764.539T1077 764.538985239636 764.530326629427 764.539742450324 1076.99134198185 1073.25293961593 1101.41634835043 14 2 12 [M+H]+ 763.532 8 1.19357133635456 0.307565441109125 0.782616637992061 +M766.555T1075 766.554982157622 766.550998552752 766.559530165556 1074.91602279985 1073.33644022395 1082.13739772988 8 2 6 [338][M]+ 491 1.46606598220294 0.669257823872414 0.524752932311861 +M766.781T1075 766.780536754521 766.780402872699 766.780670636344 1074.65316344979 1074.51729006259 1074.789036837 2 2 0 492 7.67221444443419 -7.9167837503122 0.0111678506812241 +M767.554T1075 767.554140210356 767.547286530471 767.554298303692 1074.6805912472 1074.51729006259 1074.91999491427 4 3 1 [338][M+1]+ 471 3.21441703051166 -5.69970151577515 0.00382488812776827 +M768.283T1019 768.283462951633 768.282457848764 768.284809421636 1018.9748675299 1010.39945332449 1020.23095743946 16 0 14 627 6.62920549383325 9.20224989485775 0.000168357394438212 +M768.55T1075 768.549687132824 768.546836116808 768.551121305706 1074.789036837 1074.5721456574 1077.67250832897 3 2 1 [338][M+2]+ 472 2.25351291124748 -8.71707318515318 4.61824223307872e-09 +M768.547T281 768.546713679521 768.545825567117 768.554042195512 280.958829652602 270.115793086425 290.044124090047 3 2 0 1356 3376.34923098686 -3.1675883628316 0.0868740579380121 +M769.288T413 769.28804155728 769.284396112271 769.288931030479 412.704373112498 412.35189096258 413.120689535705 15 0 15 [M+H]+ 768.282 123 Inf 5.34762210804993 1.34580966379971e-05 +M769.552T1075 769.551862745237 769.549346911124 769.55437857935 1074.6805912472 1074.5721456574 1074.789036837 2 2 0 [338][M+3]+ 467 1.44273449413249 -1.66942606883963 0.181036320347853 +M770.987T1375 770.987356257017 770.982430840005 770.988713469518 1374.706729783 1373.80985928953 1375.55582143331 30 3 27 [3M+2K]2+ 488.014 32 1.07826036116257 -0.6196558758838 0.592513139507442 +M771.18T66 771.179584855655 771.175989327858 771.181082289094 65.9013561583218 64.987651753089 67.1164581178714 26 0 26 [339][M]+ [3M+K]+ 244.073 2 Inf 2.88280128385567 0.00780735507328156 +M771.507T1075 771.507219323615 771.500411239084 771.508600046591 1075.0430087627 1074.51729006259 1075.45064498945 11 3 8 470 58.7116791921311 -11.1685513219499 0.00791053530527508 +M771.736T1075 771.735652986195 771.732411724626 771.735748823441 1074.5721456574 1074.51729006259 1074.789036837 3 3 0 468 108.75813149541 -5.86747842562864 0.0278222719268864 +M772.182T66 772.18180778532 772.178183688572 772.183835182319 65.8501145065188 65.321441448337 66.2624688784435 14 0 14 [339][M+1]+ 2 Inf 2.9012321569163 0.00746997355977763 +M772.513T1075 772.512647648139 772.510608163712 772.513624146132 1074.789036837 1074.51729006259 1075.72188803266 5 2 3 [340][M]+ 493 53.0708178063183 -11.1599833731086 0.0078269480132922 +M772.988T1374 772.98821299129 772.979949097959 772.989330559744 1373.78748444141 1372.45569592693 1374.8955132643 30 3 27 32 1.05192496907025 0.278574030330199 0.804429381443638 +M773.396T936 773.396293167495 773.390216521968 773.396807585325 935.849948033231 935.806049981305 936.741868565556 3 3 0 [2M+H]+ 386.195 35 336.676964075557 -20.889832844142 0.00228081000583868 +M773.509T1075 773.509289911634 773.505767809025 773.512812014243 1074.6805912472 1074.5721456574 1074.789036837 2 2 0 [340][M+1]+ 469 35.6131489847985 -10.9031702175145 0.00793609008805385 +M774.4T936 774.40018039295 774.400144335016 774.400216450884 935.939602360795 935.806049981305 936.073154740285 2 2 0 983 1324.78506449182 -15.40938269875 0.00418369080584879 +M774.522T1077 774.52231564007 774.517197028912 774.523273792409 1076.57626180754 1074.51729006259 1079.1558844549 4 2 2 756 1.60512492328795 0.600378393057247 0.553447099014022 +M774.985T1374 774.984765126398 774.979916484409 774.985843247611 1373.72908353063 1372.39907045887 1374.4572860474 20 2 18 32 1.08828854761731 0.356651307725507 0.753838937624943 +M778.554T998 778.553865237458 778.552293661893 778.556197650086 997.873764532639 978.070122812189 1019.16811785226 50 0 20 1010 1.22304673498154 0.331777118720738 0.753883641015581 +M778.555T1067 778.555220925548 778.553402037312 778.557093943206 1066.75007672629 1059.86299007658 1078.97009537568 25 1 20 494 1.4667016381327 -0.430207066908502 0.705054301649719 +M778.555T1037 778.554927654648 778.553352103964 778.556745297016 1037.16866147129 1027.00230905048 1051.15241617053 28 1 18 628 1.18677633915061 -0.294702960721804 0.792611567988587 +M778.556T1091 778.556146326086 778.551396239736 778.557401370286 1091.10084661834 1084.9848657275 1108.64280456448 18 2 15 917 3.72395998569518 -0.957212683498101 0.438811526025705 +M779.549T1371 779.549330139062 779.545172481481 779.554789240548 1371.10907773486 1369.29736896252 1374.01406816241 9 2 7 166 1.9466031991303 -0.757498751211441 0.524513583976499 +M779.558T1050 779.558442659031 779.550122832371 779.559741883995 1050.260686418 1027.20238319411 1078.00008386697 53 1 21 880 1.3951298984539 -0.41768298599647 0.714538381454183 +M779.558T1007 779.557624015457 779.556454687665 779.559647363325 1007.32080594169 978.694468403238 1019.16811785226 39 0 18 [M+Na+NH3]+ 739.536 50 1.71593270517469 1.12868294174723 0.325705217149468 +M780.571T1040 780.571404930564 780.565413455882 780.573670543575 1039.78580062668 1026.97213818624 1059.49992705921 46 0 20 526 1.32599011600634 0.586128912895258 0.599725783503032 +M780.57T1007 780.570421753541 780.565878835851 780.573522619482 1007.31361418278 978.138215769009 1019.31415172843 49 0 18 [341][M]+ [M+H]+ 779.563 50 1.41956751576282 0.654935956813414 0.539967373036493 +M780.572T1079 780.572201567933 780.564982926936 780.574484428009 1078.77353040118 1061.16397792364 1103.11152522922 44 2 21 8 1.19846449610998 -0.251311115939766 0.823317333645837 +M781.574T1008 781.573734654527 781.569773006371 781.574752209339 1007.59687389863 978.138215769009 1027.697237284 38 0 18 [341][M+1]+ 50 1.05321457804897 0.100167808575317 0.927465104391319 +M781.575T1051 781.574704652377 781.57025133039 781.576708617965 1050.81936732075 1030.893906904 1079.03351103347 42 0 18 881 1.46959543116622 0.782050003294445 0.476823490119891 +M781.576T1091 781.575620210704 781.575078442712 781.577540484874 1091.15911962669 1083.54881012702 1099.38195321197 13 2 11 29 1.08007607301202 -0.142291926476793 0.895492151302777 +M782.588T1009 782.587695012814 782.58121907091 782.589342638609 1009.09673705311 978.819679511235 1029.81392793683 61 0 19 [341][M+2]+ 50 5.81415556501655 4.33837147270081 0.000597679647357463 +M782.584T1375 782.58374000571 782.581464448416 782.588193383235 1374.59217941478 1373.30787601399 1375.45048591428 14 2 12 967 1.68717015259603 1.12592995393136 0.363245403124044 +M782.588T1042 782.588474411382 782.586488966431 782.590237224626 1041.66481919865 1030.25259784737 1061.63987942699 39 0 17 [342][M]+ 629 6.14785384940843 4.39271497846956 0.000432649950994346 +M782.59T1080 782.589571868087 782.586244620707 782.590442975019 1079.93433117067 1066.21896114186 1104.12086282473 40 2 18 [343][M]+ [M+Na+HCOOH]+ 713.586 [M+H]+ 781.582 8 5.11189295411071 3.38552876718003 0.00670638291222891 +M782.588T1126 782.58785868014 782.586898908339 782.592591556382 1125.90091746665 1124.30096504724 1129.63981060536 10 2 8 101 1.19050333800915 0.252871431129486 0.820385975119427 +M783.593T1083 783.593485616776 783.592146986784 783.594387307401 1082.59661816037 1066.72305248455 1104.12086282473 28 2 17 [343][M+1]+ 8 5.4102966353443 3.54335349195988 0.00494631528877765 +M783.592T1010 783.591874322673 783.589821570808 783.598704859828 1009.52067119436 979.025599524086 1028.51683128909 42 0 18 [341][M+3]+ 1126 5.56402828597771 3.89861499251347 0.00291485525663981 +M783.593T1042 783.592854134039 783.590776535769 783.597982947396 1041.87620187066 1030.28742609843 1062.33037735016 39 0 17 [342][M+1]+ 630 6.00039293034487 3.98789439501823 0.00190018318228624 +M784.605T1078 784.604826534104 784.600946334012 784.606397610512 1078.09653700724 1060.08992425366 1101.507234872 31 1 14 [343][M+2]+ 8 1.8319928477273 0.783650034620029 0.496842644363321 +M785.511T1085 785.51089161364 785.508539029591 785.51477702059 1084.51747192645 1073.42505715236 1088.35556950626 4 2 1 757 3.64030108038772 -1.07269406845678 0.375428130956925 +M786.52T1086 786.520232822397 786.516597663672 786.523872444692 1086.22497150937 1075.55771068108 1088.35556950626 4 2 2 758 1.18309114654152 0.230838741395236 0.823357300093686 +M786.52T382 786.519890483333 786.519701958306 786.520079008359 382.495428613189 382.400495790655 382.590361435722 2 2 0 1342 59.6684158200902 -2.12157189539458 0.167909348430247 +M787.262T496 787.261604157437 787.258082644184 787.262105901226 495.837063060985 494.506412328565 496.251169250058 27 0 27 [344][M]+ [M+H]+ 786.254 111 Inf 10.6343397905237 5.80167025532319e-11 +M787.261T434 787.261395326454 787.257737798063 787.262519028831 433.545015606328 432.642152475214 434.068104228802 24 0 24 1362 Inf 10.482534440667 7.875522456402e-11 +M788.265T496 788.264731838605 788.260843321683 788.265714992637 495.837063060985 495.224238716741 496.251169250058 25 0 25 [344][M+1]+ 111 Inf 10.9308514454439 3.21951354465e-11 +M788.349T1015 788.349423002512 788.345194997489 788.350854767534 1014.77500679551 1013.12669292955 1023.81357808253 47 0 27 [345][M]+ 631 42.648192478896 18.4197246327418 0 +M789.267T496 789.266819509738 789.262514890169 789.267871066458 495.792104886321 495.333954134528 496.267630002562 15 0 15 [344][M+2]+ 111 Inf 11.3911129303981 1.31734623209923e-11 +M789.353T1015 789.352690020936 789.349236188032 789.35369779607 1014.56904485231 1013.1397832788 1023.65118200527 26 0 19 [345][M+1]+ 632 64.2976024437519 10.9452072835017 2.28628227461058e-11 +M790.365T1047 790.365480454169 790.362015598762 790.367129020193 1046.88902447041 1045.78821443403 1056.46448231379 38 0 27 [345][M+2]+ 633 122.60879960319 5.73052948983472 4.92865515155927e-06 +M793.352T934 793.352426946324 793.345156411952 793.352553713152 934.439025948013 933.745895657714 934.734881342832 3 3 0 216 257.304000704735 -23.7121398049404 0.00176752963617188 +M795.353T843 795.353380089423 795.347260122667 795.354190738715 843.430416204278 842.95547601324 862.838641416713 34 3 27 [346][M]+ [2M+Na]+ 386.185 13 9.50755149115151 -83.1323383610245 1.07855515847355e-05 +M795.353T908 795.352808310375 795.346963353139 795.353048877984 908.102868576345 891.101714954158 928.852529130799 5 3 0 [347][M]+ 1247 91.5670437236406 -27.929880431847 0.00124664643714678 +M795.354T966 795.353831714858 795.347319341502 795.354290744333 965.777601921917 965.551688232666 965.840735209643 3 3 0 [348][M]+ 91 175.586780526848 -13.4340595173063 0.00549053672881072 +M795.352T786 795.352323928829 795.345592907772 795.353255523312 786.223576474321 786.162010959737 786.536720855682 3 3 0 [2M+Na]+ 386.185 57 1287.76653917349 -86.5336988707241 0.000132743073105068 +M795.36T930 795.360129847873 795.359751311599 795.360508384148 929.857058295274 929.665280432949 930.048836157599 2 2 0 868 378.521969642727 -3.53464576202532 0.0715548748927803 +M795.379T936 795.378771365267 795.37247911186 795.379198676987 935.849948033231 935.806049981305 936.073154740285 3 3 0 [349][M]+ [2M+Na]+ 386.195 35 382.346088893159 -65.5209455089883 0.000232537296506408 +M795.584T843 795.584354219532 795.58147446917 795.585015341949 843.327373818339 843.038688530069 843.364397316131 3 3 0 [350][M]+ 13 21.835094944709 -72.3937281920255 3.60839083337616e-05 +M795.611T936 795.611454518956 795.608397227888 795.611862575036 935.849948033231 935.806049981305 936.073154740285 3 3 0 35 211.479355015765 -73.0223715078508 0.000169478977269044 +M795.708T843 795.707899199654 795.702575117015 795.708944831047 843.327373818339 843.038688530069 844.065634599876 3 3 0 [2M+Na]+ 386.358 13 12.63190477665 -20.4342744847816 0.00227399876500112 +M795.735T936 795.734568190381 795.731705650155 795.735792037448 935.849948033231 935.806049981305 936.741868565556 3 3 0 [2M+Na]+ 386.369 35 308.506554425939 -20.2345965488563 0.00242924744618622 +M796.357T843 796.356524852814 796.350010499012 796.358000518611 843.428634456785 842.95547601324 862.838641416713 33 3 27 [346][M+1]+ 13 9.83671127085574 -83.2180825848412 1.44547620237745e-05 +M796.357T966 796.357378499736 796.350431152834 796.357412892787 965.777601921917 965.551688232666 965.840735209643 3 3 0 [348][M+1]+ 91 182.495616617726 -13.5093710930776 0.00542535073355488 +M796.356T786 796.355999411564 796.355347180303 796.356651642826 786.192793717029 786.162010959737 786.223576474321 2 2 0 57 806.449112517745 -2.42397072182101 0.136256384777014 +M796.363T930 796.36333650546 796.356115461556 796.363349826121 929.665280432949 929.550999333391 930.048836157599 3 3 0 869 364.952709698377 -17.4900996575532 0.00324872387796193 +M796.356T908 796.356077161233 796.355399053815 796.356755268651 908.260268065822 907.978663316217 908.541872815428 2 2 0 [347][M+1]+ 1248 93.6655685983309 -6.90059785332202 0.0203257354644166 +M796.383T936 796.38292361251 796.376668519971 796.383537608783 935.849948033231 935.806049981305 936.073154740285 3 3 0 [349][M+1]+ 35 451.60920743527 -71.8583177706335 0.00019284175287293 +M796.588T843 796.588416361265 796.58636255746 796.589183844118 843.327373818339 843.038688530069 843.364397316131 3 3 0 [350][M+1]+ 13 26.5660742949087 -126.453192027658 0 +M796.617T936 796.616826488237 796.609999687587 796.616931691929 935.849948033231 935.806049981305 936.741868565556 3 3 0 35 116.671762050378 -10.5928858034882 0.00874495256540797 +M797.356T966 797.355840211798 797.351977730747 797.359702692849 965.664645077292 965.551688232666 965.777601921917 2 2 0 [348][M+2]+ 91 56.1201889256652 -11.8051432763529 0.0070291697712177 +M797.359T843 797.358916144407 797.355712941343 797.360329376179 843.364397316131 842.880001642762 862.838641416713 31 2 27 [346][M+2]+ 13 9.88157461317845 -33.6018671449627 0.000711144997512569 +M797.36T908 797.360464923179 797.360403826276 797.360526020082 908.260268065822 907.978663316217 908.541872815428 2 2 0 [347][M+2]+ 1249 127.159349457617 -126.323685632757 1.23246588636938e-05 +M797.385T936 797.385326965013 797.384863118 797.385790812026 935.939602360795 935.806049981305 936.073154740285 2 2 0 [349][M+2]+ 984 486.951792572958 -59.1674322426551 0.000283605544264764 +M798.362T843 798.361595151748 798.355199590926 798.361968171168 843.327373818339 843.038688530069 843.364397316131 3 3 0 [346][M+3]+ 13 9.03585848875872 -166.146546300439 0 +M798.388T936 798.388080105604 798.381119492291 798.388083107635 935.849948033231 935.806049981305 936.073154740285 3 3 0 35 905.962786993307 -86.5856925212955 0.00013201734912327 +M799.22T911 799.220027889365 799.217426575641 799.220629419864 910.875853215113 908.99961333852 912.023785295142 27 0 27 [351][M]+ 72 266.885877802696 7.87788041089672 2.35075967580656e-08 +M799.22T786 799.219724774481 799.216496883706 799.220356226438 786.460136856496 784.961732704849 787.133203448383 27 0 27 [352][M]+ 1179 375.782543861837 8.24357263117579 1.00152313109447e-08 +M799.36T843 799.36019277385 799.358050774997 799.362334772703 843.2015429231 843.038688530069 843.364397316131 2 2 0 [346][M+4]+ 13 7.15249186467203 -6.91845767296532 0.0200590664208269 +M800.223T786 800.222879313391 800.219436132232 800.22372927763 786.460136856496 784.961732704849 787.133203448383 27 0 27 [352][M+1]+ 1180 935.320423212065 8.14761592847762 1.25299361997122e-08 +M800.223T911 800.223156814973 800.220435527244 800.22370778408 910.869862035069 908.99961333852 912.205081790042 17 0 17 [351][M+1]+ 72 880.880553776995 8.31841961136344 8.4401614586227e-09 +M800.541T1092 800.540665076397 800.539182918305 800.54229184567 1091.66038137027 1079.1558844549 1101.72283519886 20 2 16 [353][M]+ 914 2.54538351589339 1.24452991957956 0.224478236384111 +M801.543T1092 801.543465764717 801.54200535737 801.547753500376 1092.0855781053 1088.16157231617 1101.73069198773 17 2 14 [353][M+1]+ 918 2.37402424168663 1.21442770062133 0.235198776928148 +M802.007T1014 802.006560671373 802.003725073716 802.008470587472 1013.51717111204 1013.1397832788 1013.99777500987 15 0 15 [3M+2Na]2+ 519.346 46 86.2096871848352 6.49816826823056 6.85965767299734e-07 +M802.556T1092 802.556008438907 802.553527401207 802.556975626323 1091.76634902275 1078.57553742668 1122.63909562401 24 1 15 [354][M]+ 915 1.23702836469512 -0.28772810789094 0.791004050511466 +M803.559T1091 803.559287417493 803.556693531415 803.560508131766 1091.00916773018 1077.49489187967 1101.33647189277 17 2 13 [354][M+1]+ 928 1.54631697324777 -0.555345030718676 0.623997194278568 +M804.572T1037 804.571570526959 804.570116302675 804.57283891599 1036.6236098807 1017.32581827216 1050.5510075492 69 0 18 [355][M]+ 634 5.63103018037825 3.25109084787445 0.00337468938955587 +M804.572T1079 804.572419126391 804.569833425337 804.573504139453 1079.16645984318 1061.10410433844 1103.39362809199 52 2 18 [356][M]+ [M+Na+NaCOOH]+ 713.586 [M+Na]+ 781.582 8 3.83551549290972 2.54523233044791 0.0424569135291535 +M804.571T998 804.570617842544 804.569842551291 804.571908612402 997.815564771869 978.804811971852 1007.63313097395 46 0 18 1011 10.8771875147462 3.26227742193268 0.00294726884093865 +M805.03T1046 805.030476473953 805.0267883997 805.03373040698 1046.19121424195 1045.80233963866 1046.56207984703 14 0 14 635 38.5474249391629 4.61625938169524 8.93024291710454e-05 +M805.576T1079 805.575628175415 805.571044921875 805.576784430096 1079.16645984318 1066.41310301947 1125.8112450215 45 2 18 [356][M+1]+ 8 3.79674454536435 2.4706146218697 0.0495747775528865 +M805.574T1027 805.57448596832 805.57259911093 805.575654610125 1027.06022167247 978.344321061388 1050.50530824263 73 0 18 [355][M+1]+ 636 6.29991207799389 3.08736692061108 0.00508062239998752 +M806.588T1079 806.587603841164 806.584968544875 806.588957176612 1078.94466167474 1058.93518346246 1122.74648591186 48 1 14 [356][M+2]+ 8 1.47727074740531 0.462656374407276 0.68297497425124 +M807.591T1079 807.591037874675 807.588696209727 807.591973995247 1078.74402666768 1062.63702237058 1101.507234872 35 1 14 [356][M+3]+ 8 2.55713588382766 1.29107463053704 0.257770199581742 +M808.251T457 808.250726994437 808.248982390384 808.251369440668 456.855944264856 456.304761030678 457.336056262182 16 0 16 27 Inf 6.45965780144474 7.60280330025509e-07 +M809.244T496 809.244176061655 809.240211531299 809.24482021674 495.889856441893 494.506412328565 496.339388954399 27 0 27 [357][M]+ [M+Na]+ 786.254 111 Inf 13.3715677197347 3.67261776546002e-13 +M809.244T433 809.243822914667 809.240696022735 809.249695363059 433.478928052246 432.952678420395 456.430080546083 17 0 16 1363 Inf 12.4619028925682 1.80655490567005e-12 +M809.487T1076 809.487459076744 809.486229460061 809.488688693427 1075.66748518669 1075.46603415109 1075.86893622228 2 2 0 495 25.9708359769822 -3.52354547810148 0.0715743583238426 +M810.247T496 810.247240910006 810.243310710418 810.249280390948 495.842540025815 495.224238716741 496.267630002562 26 0 26 [357][M+1]+ 111 Inf 13.718760310604 2.04281036531029e-13 +M810.577T1074 810.577494985831 810.570395895819 810.577793579759 1073.84136080916 1073.21193837982 1074.1120298914 3 3 0 [358][M]+ 477 12.0095769090216 -6.46137608134671 0.0216517753518679 +M811.247T496 811.247483097796 811.243331289759 811.248698456859 495.713885972663 495.333954134528 496.251169250058 15 0 15 [357][M+2]+ 111 Inf 16.051152168303 5.32907051820075e-15 +M811.261T457 811.260787037403 811.257116012486 811.261718552463 456.869386967792 456.171206706768 457.336056262182 26 0 26 [359][M]+ [2M+Na]+ 394.135 27 29230.0506096183 9.66162274368764 4.32029967356584e-10 +M811.328T863 811.327816612711 811.321407795497 811.328685328861 862.605694666185 861.928277346418 862.838641416713 3 3 0 766 12.9994443010005 -44.6394704424392 0.000219566264277882 +M811.342T843 811.342177927203 811.336718710954 811.342278357562 843.327373818339 843.038688530069 844.065634599876 3 3 0 [360][M]+ [2M+K]+ 386.185 13 8.14398003509996 -62.7708727092519 0.000116945659064838 +M811.347T787 811.346546004538 811.34569665629 811.347395352786 786.878267303625 786.846649938607 786.909884668643 2 2 0 [2M+K]+ 386.185 57 302.118909498609 -18.7945420879641 0.0028096985320154 +M811.35T936 811.350191312832 811.346929022203 811.353675413234 935.849948033231 935.806049981305 936.073154740285 4 3 0 [361][M]+ [2M+K]+ 386.195 35 262.497973713002 -20.0132869864583 0.00248682665797562 +M811.495T457 811.495148193152 811.49243545343 811.499682907894 456.729695494735 456.128675848941 457.336056262182 14 0 14 27 704.0428252003 7.55866515530317 5.03299868448437e-08 +M811.581T1074 811.580683255377 811.580335314017 811.581031196736 1073.63320898076 1073.42505715236 1073.84136080916 2 2 0 [358][M+1]+ 496 16.2130538508527 -6.88048483511804 0.0201333827434773 +M812.264T457 812.263729006474 812.259917000596 812.264792833664 456.85507930577 456.171206706768 457.336056262182 25 0 25 [359][M+1]+ 27 Inf 9.59833979962325 4.94355667512991e-10 +M812.345T844 812.345383317697 812.345134460753 812.34563217464 843.696504209108 843.327373818339 844.065634599876 2 2 0 [360][M+1]+ 13 7.62605579976291 -20.8876237963553 0.00212590945680624 +M812.356T936 812.356474205401 812.350052763244 812.356802674715 935.849948033231 935.806049981305 936.741868565556 3 3 0 [361][M+1]+ 35 270.717115485823 -21.4159203356325 0.00217213350374656 +M812.582T1074 812.582374406607 812.576182030696 812.583074408225 1073.84136080916 1073.21193837982 1074.1120298914 3 3 0 [358][M+2]+ 478 7.7439787710722 -5.70131762343345 0.0280512403113782 +M812.952T52 812.952494499421 812.951399965255 812.954024920928 52.1185783402497 37.8378576727158 52.3312428613316 6 2 3 55 5.59244092431529 -1.47004164618112 0.27812014200603 +M813.265T457 813.264901579332 813.261701858452 813.265906527199 456.810639148407 456.171206706768 457.336056262182 25 0 25 [359][M+2]+ 27 Inf 9.67486762874895 4.20043555493521e-10 +M813.356T936 813.355712181513 813.349882896571 813.356882930078 935.849948033231 935.806049981305 936.741868565556 3 3 0 [361][M+2]+ 35 187.875445718223 -16.1453513804854 0.00381052739308219 +M813.544T76 813.543782679875 813.543714852097 813.543850507654 76.0926890580261 76.0054540769532 76.1799240390991 2 2 0 [362][M]+ 1223 25.1439647564751 -1.92149497186634 0.194602981175548 +M814.266T457 814.266456451162 814.264223667189 814.26811569151 456.729695494735 456.128675848941 457.336056262182 18 0 18 [359][M+3]+ 27 Inf 9.23675107623971 1.07833253437661e-09 +M814.547T76 814.546761050795 814.545952311592 814.547569789998 76.0926890580261 76.0054540769532 76.1799240390991 2 2 0 [362][M+1]+ 1224 25.2584830265227 -1.85096062912916 0.205374444635039 +M815.214T705 815.214327920135 815.211046557835 815.21569563117 705.288522750741 704.547488864381 706.064753636888 17 0 17 171 Inf 6.37289198685007 9.47533286499436e-07 +M815.293T502 815.292877276311 815.289420535409 815.293820288564 501.944260761599 501.370164269197 502.467633080033 26 0 26 [363][M]+ [M+H]+ 814.285 65 Inf 8.51277336817813 5.4112896386016e-09 +M815.532T1074 815.531592200782 815.527158838868 815.534338191738 1073.89206376556 1073.71191994282 1074.74557888951 7 3 4 475 53.244206587703 -12.254671166661 0.00658521192130079 +M816.296T502 816.296072017278 816.293049696441 816.297464798095 501.924487899587 501.481366794745 502.387286811166 16 0 16 [363][M+1]+ 65 Inf 9.26456345812068 1.01493391468921e-09 +M816.537T1074 816.536744242368 816.536232346776 816.53725613796 1073.97669535028 1073.84136080916 1074.1120298914 2 2 0 [364][M]+ 497 20.5566607964713 -11.2687732087358 0.00716571980662906 +M817.334T843 817.333965473514 817.327842652293 817.334208162947 843.327373818339 843.038688530069 843.364397316131 3 3 0 [365][M]+ [2M+2Na-H]+ 386.185 13 16.1670530256519 -74.7066390532021 0.000103562806227586 +M817.535T1074 817.5347258427 817.531123678738 817.538328006662 1073.86671228736 1073.84136080916 1073.89206376556 2 2 0 [364][M+1]+ 473 10.9235128610891 -10.0991385600529 0.00763202340462099 +M818.338T843 818.337573978956 818.330295972367 818.338207426875 843.327373818339 843.038688530069 843.364397316131 3 3 0 [365][M+1]+ 13 13.2272833015413 -8.29876261680865 0.0141331126201749 +M818.54T1074 818.540127197063 818.537626776577 818.540350886053 1073.84136080916 1073.42505715236 1073.89206376556 3 3 0 [364][M+2]+ 474 2.48714432726749 -2.23853216493172 0.0895421774785008 +M820.542T1374 820.542242461867 820.5359041055 820.54327540865 1373.89399281031 1371.87890350201 1374.67381195692 18 2 16 968 1.083498799196 -0.119522926713906 0.914784391993051 +M820.992T1370 820.991894826483 820.98892711774 820.994053151019 1369.7200895265 1369.15166736498 1372.98369683562 10 2 8 1259 1.11089917234802 0.29012072693463 0.798403248940349 +M821.18T41 821.18013208493 821.175428277054 821.181329701532 41.4260956004571 40.7991322550327 41.7837440863734 16 0 16 422 1161.63204360877 6.59957500368123 5.33799632940202e-07 +M822.558T1374 822.55818567554 822.553347826707 822.559721245616 1373.91989364309 1372.52054086473 1374.7203176411 15 1 14 969 1.82820082735339 0.953769777895773 0.41748419841829 +M823.388T954 823.388480719472 823.381530064595 823.388541270969 953.567186035157 952.895420812048 953.961795112619 3 3 0 75 197.050852597123 -21.7846725033922 0.00209133577568754 +M827.23T457 827.229911529373 827.226946444801 827.231384649145 456.955634245581 456.171206706768 457.420103095544 24 0 24 [2M+K]+ 394.135 27 Inf 9.89810833875956 2.62289301389274e-10 +M827.257T488 827.257328898271 827.24991710161 827.258001181264 487.626136512482 487.023343349501 496.736604940601 29 0 27 [366][M]+ 140 Inf 10.1128226379059 1.67751590396392e-10 +M827.258T430 827.257610452824 827.254477264194 827.259082251469 429.52992517131 428.980956341577 430.071540849588 27 0 27 [367][M]+ [M+H]+ 826.25 119 6701.51986534063 9.79924165669476 3.22845306044428e-10 +M827.289T843 827.289344358564 827.285164763284 827.291431778199 843.327373818339 843.038688530069 843.364397316131 3 3 0 13 56.2266737766726 -35.7485160560471 0.000709833732794429 +M828.261T430 828.260595889556 828.257231308843 828.262122338937 429.52992517131 428.297278587973 430.207113396567 27 0 27 [367][M+1]+ 119 Inf 9.64515255866247 4.47430092975765e-10 +M828.26T488 828.260433304658 828.256702745862 828.261084747462 487.513239932327 487.023343349501 487.806234243319 26 0 26 [366][M+1]+ 140 Inf 10.3047690805273 1.13046905170222e-10 +M829.263T430 829.263168595113 829.258988230155 829.263976711139 429.555377810014 429.169278050451 430.370977395197 18 0 18 [367][M+2]+ 119 Inf 10.2343297737568 1.30595978475867e-10 +M829.543T1087 829.542561198362 829.540662407477 829.548722544671 1087.04976118784 1086.94424662816 1093.38291632689 3 2 0 759 10.2065089871978 -3.14486024666049 0.0865881187360569 +M831.507T1074 831.506599334891 831.500433469275 831.506947511676 1073.89206376556 1073.84136080916 1074.1120298914 3 3 0 476 15.3585242455442 -4.1775611342733 0.0523732390674456 +M832.516T1074 832.516029364085 832.515392639609 832.51666608856 1073.63320898076 1073.42505715236 1073.84136080916 2 2 0 498 2.52948047302976 -3.48121283132405 0.013505607831378 +M833.241T457 833.240540953287 833.236922032959 833.242071503166 457.089481489908 456.503084887902 458.747920429869 24 0 24 [2M+2Na-H]+ 394.135 27 Inf 14.4736967841215 5.92859095149834e-14 +M837.019T1373 837.018902791196 837.010684294698 837.019749227078 1373.37856662205 1371.87890350201 1374.6711236874 27 2 25 32 1.16267565815818 0.453181626558836 0.691897600282502 +M837.274T502 837.274451558129 837.271476748253 837.276296095915 502.030242647964 501.370164269197 502.63969665573 23 0 23 [368][M]+ 1196 Inf 7.74913815570784 3.19783097779691e-08 +M838.278T502 838.277550675297 838.272479455998 838.278710271899 502.030242647964 501.680281836745 502.401781142654 15 0 15 [368][M+1]+ 1197 Inf 9.30575833971044 9.2798591033727e-10 +M843.198T457 843.197858311576 843.193224594607 843.198528805791 456.869386967792 456.430080546083 457.175144821925 24 0 24 [369][M]+ [M+Na]+ 820.21 27 Inf 10.7253010421439 4.83733053613378e-11 +M843.324T568 843.324432263036 843.320905512135 843.325914306348 567.806121053256 567.334075013779 568.405388559642 18 0 18 1124 Inf 9.69598214169177 4.01636057745236e-10 +M844.201T457 844.200714594643 844.198889629774 844.202039588409 456.756244855054 456.128675848941 457.336056262182 17 0 17 [369][M+1]+ 27 Inf 10.3615707662063 1.00673469560775e-10 +M845.2T457 845.199948721466 845.19802789957 845.202044581066 456.945534235756 456.216288714083 457.336056262182 15 0 15 [369][M+2]+ 27 Inf 11.3255252330224 1.49400491977758e-11 +M849.239T429 849.238760226871 849.235722742662 849.24033453851 429.345105064187 428.901971292585 430.037471845446 16 0 16 [M+Na]+ 826.25 119 Inf 13.5278853470054 2.8155255904494e-13 +M851.416T953 851.416135507063 851.410133635097 851.41682699987 952.895420812048 952.891109261759 953.278373758428 3 3 0 [2M+Na]+ 414.215 75 1203.79071836172 -17.0975830058761 0.00340270275004384 +M852.421T953 852.421401810684 852.421281793163 852.421521828205 952.893265036903 952.891109261759 952.895420812048 2 2 0 1257 3083.02493535545 -14.1949551467415 0.00492581032739081 +M852.991T1374 852.990997236481 852.985327000579 852.993129450373 1374.46065868469 1373.13278226664 1375.45048591428 29 3 26 [M+H]+ 851.984 [M+H]+ 851.984 32 1.07068420255664 -0.434836458804277 0.703173802752294 +M853.306T844 853.305530799992 853.301528957214 853.309532642771 843.529756906023 843.038688530069 844.020825281978 2 2 0 13 18.6457436018526 -8.85059599704903 0.0122932126810782 +M853.511T1075 853.511350009304 853.510255620189 853.512444398419 1074.65316344979 1074.51729006259 1074.789036837 2 2 0 499 17.8612298769262 -3.40848683014772 0.0761345645415488 +M854.604T1073 854.603843869693 854.597195022812 854.604313522443 1072.53176916966 1072.4893166943 1072.74803090868 3 3 0 [370][M]+ 3 41.2202259891058 -6.62392362294199 0.0220114236371469 +M854.992T1374 854.99214371025 854.984972973406 854.993736210383 1373.75680592424 1372.52054086473 1374.80976106972 28 3 25 [2M+K]+ 408.01 [M+H]+ 853.979 32 1.03581431037577 -0.159790647548073 0.886452867927849 +M855.34T968 855.340253288031 855.336745455496 855.343761120565 968.047439205462 967.81775098918 968.277127421744 2 2 0 1322 138.336141817679 -24.9966741538509 0.00158703963587636 +M855.606T1073 855.606414485174 855.600378476586 855.607889592592 1072.53176916966 1072.4893166943 1072.74803090868 3 3 0 [370][M+1]+ 3 32.2745468704977 -6.43762974720939 0.0232573931254372 +M856.608T1073 856.607688189945 856.602503737299 856.609353345694 1072.53176916966 1072.4893166943 1072.74803090868 3 3 0 [370][M+2]+ 459 29.1835727214937 -6.35097351012702 0.0237069980671245 +M859.561T1073 859.560897882158 859.560419296026 859.561376468291 1072.61867380149 1072.4893166943 1072.74803090868 2 2 0 500 40.5829591804803 -17.85564214607 0.0031031270572548 +M860.556T1373 860.555591486031 860.552922810403 860.557173236732 1373.38487656595 1369.70287971594 1374.34631965056 17 1 16 970 1.35556363859831 -0.42398020454811 0.709607891901421 +M860.56T1051 860.559961376357 860.556557920227 860.563143530931 1051.04321084171 1027.68311230811 1085.67145238918 21 3 7 882 7.99373162737522 -2.61701825686612 0.117982870768389 +M861.563T1055 861.563496770054 861.558856598489 861.564355070791 1055.03212102632 1038.67738313229 1085.67145238918 6 2 2 958 3.31738076445183 -3.03773449973229 0.0758709071857364 +M861.565T1073 861.565131750659 861.564971901867 861.565291599451 1072.61867380149 1072.4893166943 1072.74803090868 2 2 0 501 5.6119672283572 -2.16785622461559 0.159823078538122 +M862.571T1373 862.57052568379 862.565419564092 862.572100655971 1373.2768733909 1371.23640241041 1374.01406816241 15 1 14 [371][M]+ 971 1.0881265889785 0.103345037603868 0.9261435738459 +M862.572T1073 862.571689337657 862.564900307736 862.573460579756 1072.74803090868 1072.4893166943 1083.73595911894 3 2 1 502 1.15015206290682 0.326709354810496 0.76183861823662 +M863.575T1374 863.574843719767 863.571974225993 863.575843010533 1373.52729108193 1373.12823538337 1374.34631965056 15 1 14 [371][M+1]+ 972 1.22968658635879 0.25415567170278 0.820514244573899 +M865.307T568 865.307034155751 865.303028947557 865.308814053669 567.806121053256 566.969933207074 568.109074277486 24 0 24 1125 Inf 12.163665852922 3.10262926461746e-12 +M867.324T522 867.323594666668 867.320222415475 867.324783593636 522.381595415545 521.877128985805 524.347402496491 26 0 26 [372][M]+ [2M+Na]+ 422.168 58 Inf 6.4867369440041 7.09908208440524e-07 +M868.327T522 868.326875160448 868.323362286413 868.327649181409 522.381595415545 521.915813292786 522.855944307753 24 0 24 [372][M+1]+ 58 Inf 6.55734662738604 5.93928385583808e-07 +M869.329T522 869.328829137302 869.324252674818 869.329743188675 522.451668649586 521.915813292786 522.855944307753 15 0 15 [372][M+2]+ 58 Inf 6.7836534872182 3.36566273961836e-07 +M870.354T1015 870.354080112048 870.350356875608 870.355692129451 1014.71771157509 1013.12669292955 1023.99314317308 35 0 23 637 54.2008444267134 13.2498007236384 2.87103674168065e-13 +M872.37T1048 872.370261329799 872.365965481459 872.371553291772 1047.50469644137 1045.78821443403 1056.36317930108 21 0 15 638 106.818892288006 6.78591755152144 3.3322598858021e-07 +M875.539T1073 875.539104500709 875.536668964586 875.541540036831 1072.61867380149 1072.4893166943 1072.74803090868 2 2 0 503 55.2929319590931 -5.61378817342569 0.0301428306365361 +M877.384T936 877.383574016963 877.374978718075 877.38366605831 935.849948033231 935.806049981305 936.741868565556 3 3 0 35 1043.39356434723 -48.525757459617 0.000422313578949174 +M883.547T1375 883.547282922198 883.544731931123 883.548580697591 1375.12756792815 1374.53318691957 1375.845295448 15 1 14 973 1.74287656878579 0.920409031824522 0.432962691110024 +M884.554T1374 884.553565006401 884.549999930238 884.555723026737 1373.89399281031 1371.71401999097 1375.45048591428 16 1 15 974 1.45257359813746 0.668140254255984 0.537931030605641 +M885.561T1375 885.561233556224 885.556785800845 885.562754770522 1374.6450140247 1373.38487656595 1375.38172557118 18 2 16 975 1.22641637608882 0.33111215859026 0.766682080250172 +M886.572T1373 886.57216827574 886.569844464658 886.573548495552 1373.38862146028 1369.70287971594 1374.8955132643 19 1 18 [373][M]+ 976 1.3613124767236 -0.404430485843707 0.721566416765299 +M886.575T1007 886.574681156327 886.572732264361 886.579510374333 1006.88177697909 976.522647628639 1049.72191745299 51 0 18 50 2.04702656682049 1.41415078904748 0.240302334412836 +M887.575T1373 887.574683638216 887.56983875865 887.576406915672 1373.30787601399 1369.70287971594 1374.41109559433 19 1 18 [373][M+1]+ 977 1.326403856351 -0.390110805990982 0.730013797579845 +M887.578T1017 887.578403628785 887.57533909248 887.580336451865 1016.72182508276 986.189897369572 1049.65004250727 32 1 14 639 1.56392371053405 0.818699011506785 0.473499580479894 +M888.588T1373 888.58820798172 888.582280876049 888.589285927362 1373.30787601399 1372.75511577636 1374.34631965056 15 1 14 [373][M+2]+ 978 1.37713835380991 0.458109554906246 0.684347599058107 +M888.591T1027 888.591335955427 888.589853901425 888.593296972807 1027.03046915761 976.347999713688 1084.19750729512 81 1 14 640 1.66364839631803 -0.403482597572811 0.72416503115796 +M888.934T37 888.93432060902 888.930490066836 888.938151151204 37.3647973022687 36.7078101321514 38.021784472386 2 2 0 [3M+Na+K-H]+ 276.005 [M+H]+ 887.927 1 29.8482072138396 -4.6431742208856 0.0430741205838006 +M889.576T617 889.575991203108 889.575759593773 889.576222812443 617.477060796807 617.154683907883 617.799437685731 2 2 0 1294 5.89181925452852 -1.61650828684995 0.246747980389998 +M889.592T1373 889.591536436568 889.586401420102 889.592589798759 1373.32012598074 1372.54887361856 1374.4572860474 15 1 14 [373][M+3]+ 979 1.34015138893421 0.370642490014326 0.741218893087664 +M891.251T440 891.251089786593 891.246950350698 891.252789755912 440.38719521038 433.676110569003 440.976298719212 40 0 25 [374][M]+ 99 5316.13325115902 11.6982944161334 7.35367322590719e-12 +M892.254T440 892.254152537944 892.249820251854 892.255648873542 440.407455659908 433.787090229931 440.976298719212 34 0 23 [374][M+1]+ 99 Inf 11.771241533309 6.41398045786445e-12 +M895.282T490 895.281683292856 895.277145856868 895.282540486615 489.731498923964 489.404190364341 490.134194958808 23 0 23 [2M+Na]+ 436.146 108 Inf 7.02955354248572 1.8279990809944e-07 +M897.539T1074 897.539124281021 897.537606023908 897.540642538134 1073.63320898076 1073.42505715236 1073.84136080916 2 2 0 504 13.5381039868554 -3.52699987608584 0.0712087837278235 +M898.629T1072 898.629273573492 898.622195622838 898.629359628634 1071.81321252855 1071.17129795399 1072.07099513928 3 3 0 [375][M]+ 3 13.2802998476157 -8.8684578403363 0.0120140629114209 +M899.633T1072 899.632887532426 899.625770195163 899.633190666679 1071.85155580456 1071.81321252855 1072.07099513928 3 3 0 [375][M+1]+ 3 11.8663976990075 -6.5106743918391 0.0224008165548875 +M900.626T1072 900.626190459786 900.622747701017 900.627242437314 1071.85155580456 1071.81321252855 1072.07099513928 3 3 0 [375][M+2]+ 3 3.40103326905906 -3.7064524848286 0.0539446216275927 +M903.569T989 903.56853230551 903.56485892728 903.57298301036 989.201254717777 988.117350870489 1000.92173270765 18 0 16 1061 18.9518109152011 5.17797437214549 1.90008651670404e-05 +M903.589T1072 903.588792266669 903.587876484739 903.593507591767 1072.03382109701 1071.81321252855 1072.07099513928 3 2 1 505 10.7336254846535 -23.6895725588129 1.83941282048128e-05 +M904.594T1072 904.594196325212 904.593558965502 904.594833684922 1071.94210383392 1071.81321252855 1072.07099513928 2 2 0 [376][M]+ 506 5.31650093408826 -14.4543145912475 0.00134226823346317 +M905.589T1072 905.588588821089 905.584989862438 905.59218777974 1071.83238416655 1071.81321252855 1071.85155580456 2 2 0 [376][M+1]+ 3 3.18858795949522 -5.16438484227162 0.0256396286427931 +M919.023T1373 919.023391327506 919.015315259343 919.024686564335 1373.29237470244 1372.73515785493 1374.48691290555 16 2 14 [M+Na]+ 896.032 32 1.20596711271039 0.652118120078266 0.577077888665893 +M919.561T1072 919.561426549659 919.560243763093 919.562609336224 1071.94210383392 1071.81321252855 1072.07099513928 2 2 0 [377][M]+ 507 5.45908287067344 -7.1127946103993 0.0144064190020905 +M920.558T1072 920.558318740522 920.556265107227 920.560372373816 1071.96127547192 1071.85155580456 1072.07099513928 2 2 0 [377][M+1]+ 3 4.73984335346801 -11.2222803724168 0.001205720884355 +M925.029T1372 925.028992512193 925.026076169647 925.032655265934 1371.92289128161 1370.90620664167 1373.25686652693 9 2 7 151 1.21995423386271 0.89726993723025 0.459004032255589 +M927.566T990 927.566339244148 927.559905834779 927.56867548267 989.929354109537 989.286548813694 999.741180068415 17 0 16 1031 15.0834090891937 5.12889825345316 2.01185715376084e-05 +M934.994T1374 934.993800835896 934.99193089016 934.99696304193 1374.03360488633 1373.26566549905 1374.75597392267 17 2 15 [M+K]+ 896.032 32 1.04961801063475 -0.186389682363976 0.868829707984551 +M936.996T1373 936.99632344984 936.990158436698 936.997593596131 1373.32012598074 1372.55330740855 1374.07044135113 19 1 18 32 1.00630242573505 0.0251980059465031 0.982063358437842 +M941.559T1073 941.558990284059 941.55593285959 941.562047708527 1072.63990003917 1072.53176916966 1072.74803090868 2 2 0 3 8.82113341780685 -4.26414583606863 0.0441008292787088 +M942.652T1070 942.651636359602 942.649155333074 942.65411738613 1070.47092861001 1070.46086671959 1070.48099050043 2 2 0 [378][M]+ [M+H+NH3]+ 924.621 3 7.05279437576258 -4.58568929645065 0.0412142226562928 +M943.654T1070 943.654331750037 943.652216120117 943.656447379958 1070.47092861001 1070.46086671959 1070.48099050043 2 2 0 [378][M+1]+ 3 6.74232821688723 -4.71645314324701 0.0391806418061322 +M947.614T1070 947.613511570432 947.606402656156 947.61373650881 1070.48099050043 1070.46086671959 1070.71689516367 3 3 0 [379][M]+ [M+Na]+ 924.621 3 13.6850641168592 -54.6731279118874 4.30103721562602e-05 +M948.605T1071 948.604924807128 948.600348596954 948.609501017301 1070.59894283205 1070.48099050043 1070.71689516367 2 2 0 [379][M+1]+ 3 13.5094629151977 -8.63887722737692 0.0122062105407055 +M949.549T990 949.548760180799 949.544543414694 949.549444629932 989.929354109537 989.286548813694 990.408312134912 15 0 15 1030 4.93960865730473 4.18882886814372 0.00163862635510403 +M949.613T1070 949.613008663667 949.611759657013 949.614257670321 1070.47092861001 1070.46086671959 1070.48099050043 2 2 0 [379][M+2]+ 3 8.66404669493733 -13.8024439344144 0.00277107282387989 +M951.568T981 951.567926796169 951.565383042788 951.569400756459 980.56102797082 979.761381762065 991.772185743984 20 0 15 820 48.5664029589826 5.07564650640655 2.62453390038608e-05 +M955.602T1011 955.601774569394 955.597089405617 955.602962397583 1011.36761886053 1009.9931106819 1020.56812852252 42 0 26 [380][M]+ [M+H]+ 954.595 30 6427.93973528062 7.73386187024667 3.3160528101206e-08 +M956.605T1011 956.604891988073 956.601339722385 956.60619536179 1011.31651726255 1009.9931106819 1020.39203129372 33 0 25 [380][M+1]+ 30 642.061841289016 6.82741291656908 3.01622947507241e-07 +M957.607T1011 957.606864429318 957.603462180214 957.607724875645 1011.14354952333 1010.31392526603 1020.40133539787 25 0 20 [380][M+2]+ 939 164.124929941074 7.95433520696018 1.93709728257829e-08 +M959.633T1044 959.632739642065 959.628717609244 959.633911114051 1044.05269405756 1042.73381713294 1052.51055771268 25 0 21 [381][M]+ 641 247.585897590646 5.73955634179974 4.82007538016305e-06 +M960.636T1048 960.635566670671 960.63142974249 960.637077198665 1047.86171581014 1042.73381713294 1053.12440765463 20 0 15 [381][M+1]+ 642 98.5940315531647 5.69205582121525 5.41810665399822e-06 +M961.275T786 961.275069687892 961.27154244224 961.275886408589 786.410732369272 784.961732704849 787.173402904129 16 0 16 1181 370.845243446332 9.12110698337201 1.3735346193755e-09 +M963.583T1071 963.58342597116 963.580166347042 963.586685595278 1070.59894283205 1070.48099050043 1070.71689516367 2 2 0 [M+K]+ 924.621 3 11.9295396190708 -7.35215491808152 0.0178755061927678 +M977.584T1011 977.583513864889 977.580005104107 977.58490958932 1011.04195017697 1009.90298620614 1020.39203129372 34 0 27 [382][M]+ [M+Na]+ 954.595 30 285.942941556295 10.0792309944482 1.79642078990128e-10 +M978.586T1011 978.586222908071 978.582543650084 978.587351395487 1011.03923974929 1009.90298620614 1020.02544649501 27 0 23 [382][M+1]+ 30 493.00375966538 9.88422284534251 2.69235300720538e-10 +M981.615T1044 981.614733088645 981.611147837919 981.616179173915 1044.04342538623 1042.51097275701 1053.0622620832 23 0 16 643 531.240232566592 6.21112435197942 1.43079600012364e-06 +M986.682T1070 986.681727106633 986.675910931554 986.682368637933 1069.80064202098 1069.77469095069 1070.03983102763 3 3 0 [383][M]+ 3 16.8054035486324 -6.87900549266187 0.020115392497414 +M987.682T1070 987.681659101458 987.678703003058 987.684615199858 1069.78766648584 1069.77469095069 1069.80064202098 2 2 0 [383][M+1]+ 508 11.6864960588282 -6.51763902429435 0.0223670330186216 +M991.641T1070 991.64121970668 991.640930818268 991.641508595093 1069.90726098916 1069.77469095069 1070.03983102763 2 2 0 [384][M]+ 509 12.3416305537216 -37.8418946893018 0.000496234639129511 +M992.644T1070 992.643928558314 992.643699737773 992.644157378854 1069.90726098916 1069.77469095069 1070.03983102763 2 2 0 [384][M+1]+ 510 11.4945019490605 -31.7090153591567 0.000664323268693146 +M997.648T1013 997.648318263085 997.644821190728 997.649536650212 1012.68368319042 1011.7374831175 1021.88592131899 31 0 26 940 428.238630525302 6.24318127667112 1.31794279689679e-06 +M998.651T1013 998.651340339475 998.645883165441 998.652448659294 1012.76391533777 1011.7374831175 1042.51097275701 32 0 22 1086 18.5699452385827 6.00210069107441 1.85151539655593e-06 +M1000.573T1020 1000.57274141909 1000.56994367753 1000.5760155979 1019.58823853175 1010.45346572157 1020.18432657766 19 0 16 644 3.82365966795006 3.06434543916038 0.0721746626839412 +M1001.679T1045 1001.67928053146 1001.67487085592 1001.68132168922 1045.40710878975 1044.39411334697 1054.2863115203 21 0 16 [385][M]+ 645 79.7273277148814 6.27869714190271 1.18382807823281e-06 +M1002.682T1045 1002.68237249741 1002.67711848683 1002.68318364788 1045.48939687234 1044.39411334697 1054.14966876379 17 0 14 [385][M+1]+ 646 89.1935117498796 6.46853141070056 7.34063539509222e-07 +M1018.993T1373 1018.99255979295 1018.99033512942 1018.99664683934 1373.00825834194 1372.52054086473 1373.75583372792 6 2 4 [M+K]+ 980.024 32 1.13671720550614 0.515117519984792 0.65706288622314 +M1019.631T1013 1019.63139619518 1019.62731483685 1019.63237518512 1012.70892412683 1011.7374831175 1021.94328329205 39 0 26 1086 564.995588888148 8.49089794491799 5.68732039241127e-09 +M1019.702T966 1019.70165630227 1019.70160368214 1019.7017089224 965.80916856578 965.777601921917 965.840735209643 2 2 0 [386][M]+ 91 5.04756232342238 -1.62752149728177 0.244834541976858 +M1019.714T937 1019.71400987324 1019.71396085289 1019.71405889359 937.291931739495 937.172932902025 937.410930576965 2 2 0 [387][M]+ 985 5.30084917753765 -1.64227065298103 0.241960845488518 +M1020.634T1013 1020.63395662816 1020.63055782632 1020.63563774876 1012.67587992931 1011.7374831175 1021.70272279731 33 0 26 940 346.669040542426 8.12534553192341 1.31741590969625e-08 +M1020.706T966 1020.70569978525 1020.70494698564 1020.70645258486 966.149414691591 965.777601921917 966.521227461265 2 2 0 [386][M+1]+ 1277 4.19383800399146 -1.46068739487703 0.281154979932674 +M1020.717T937 1020.71741603757 1020.71715598053 1020.71767609461 937.291931739495 937.172932902025 937.410930576965 2 2 0 [387][M+1]+ 986 4.80977144172765 -1.60409935854986 0.249546821472833 +M1023.663T1045 1023.6625720377 1023.65803656802 1023.66388979701 1045.41052559009 1044.09421939714 1054.54772248364 32 0 25 [388][M]+ 647 748.237919223695 6.42484700547129 8.30156586140163e-07 +M1024.664T1045 1024.66432175098 1024.66016893852 1024.66628428207 1045.36334268654 1044.09421939714 1054.22228272029 23 0 19 [388][M+1]+ 648 357.594929963516 6.4105449269779 8.59918885653954e-07 +M1033.645T993 1033.64463238141 1033.64225608356 1033.64631383534 992.809462804369 992.600874940796 993.135055024707 15 0 15 1024 75.2432449291608 3.97625236954545 0.000496050875721687 +M1035.668T1069 1035.66776151847 1035.66766686728 1035.66785616967 1068.55390678664 1068.42213893876 1068.68567463451 2 2 0 511 7.13123113451113 -26.4514404777902 0.000320103099570312 +M1039.698T1013 1039.6975972238 1039.69242529096 1039.69868547939 1013.3555676526 1012.62546518261 1022.95660732865 29 0 25 [389][M]+ [2M+H]+ 519.346 46 1314.95857553538 4.7462577028989 6.56665464950912e-05 +M1040.701T1013 1040.70055255202 1040.69575474227 1040.70165571366 1013.31575836543 1012.62546518261 1022.27922080714 27 0 24 [389][M+1]+ 46 861.307446013323 4.9661155132218 3.6746857923653e-05 +M1041.62T1019 1041.62014603946 1041.61541789619 1041.62474080307 1019.27293291471 1012.46061168255 1025.3514572783 16 0 14 649 46.3044383375603 9.13979228773325 1.22361565324525e-09 +M1043.729T1046 1043.72922416573 1043.72532504573 1043.73041413 1046.08950794153 1045.22083955023 1054.99361399034 28 0 26 [390][M]+ 650 414.343406466608 5.90937486091163 3.11088020632511e-06 +M1044.732T1046 1044.73171822209 1044.72732237629 1044.73342944995 1046.09365329538 1045.22083955023 1055.32051142596 32 0 26 [390][M+1]+ 651 246.187761215242 5.10436012910528 2.55142724303603e-05 +M1061.68T1014 1061.68009557567 1061.67583578732 1061.6809535989 1013.59542036364 1013.1397832788 1023.13312785686 34 0 26 [391][M]+ [2M+Na]+ 519.346 46 579.909932378491 7.26833863457098 1.01738520719152e-07 +M1062.683T1014 1062.68279047867 1062.6785463934 1062.68412707258 1013.70111379195 1013.10593464155 1023.13312785686 36 0 26 [391][M+1]+ 46 380.593971830711 7.1459019173247 1.3727671377417e-07 +M1063.684T1014 1063.68386381521 1063.68025486937 1063.6855560623 1013.59542036364 1013.10593464155 1023.13312785686 34 0 26 [391][M+2]+ 46 250.540635893956 7.37488064605985 7.8407559112037e-08 +M1065.712T1046 1065.71169661043 1065.70646243215 1065.71379715984 1046.1570875432 1045.76199093164 1055.50557773181 30 0 26 [392][M]+ 652 463.077576988594 5.05738952538175 2.88804581276558e-05 +M1066.715T1046 1066.7150927698 1066.71010928816 1066.7178455023 1046.14459218864 1045.76199093164 1055.277325842 29 0 26 [392][M+1]+ 653 288.955232501379 4.99082582820217 3.44272036114646e-05 +M1067.717T1046 1067.71688538333 1067.71493711857 1067.72377413021 1046.09689883845 1045.76199093164 1055.22676624375 16 0 15 [392][M+2]+ 654 45.4197669289827 5.14984264759836 2.22957093183318e-05 +M1143.683T1014 1143.68265644299 1143.67768624049 1143.68456667053 1014.04140171926 1013.1397832788 1023.30398891314 35 0 25 [393][M]+ [M+K]+ 1104.71 46 165.878198227317 8.60036097059726 4.43123182591876e-09 +M1144.686T1014 1144.68569645838 1144.68132943317 1144.68741437196 1014.03687434582 1013.1397832788 1023.13312785686 23 0 19 [393][M+1]+ 46 65.6506445667044 7.84088076160464 2.52227425612261e-08 +M1145.314T786 1145.31355440316 1145.30888903244 1145.31470590497 786.460136856496 784.961732704849 787.133203448383 27 0 27 [394][M]+ 1182 857.756114737586 9.52467908236402 5.78333825274058e-10 +M1145.314T911 1145.3140077207 1145.30988895668 1145.31447938348 910.754679077281 909.573196886884 912.682240816619 18 0 18 72 202.532339804888 9.22266368945235 1.10047992940565e-09 +M1146.317T786 1146.31689901344 1146.31262368479 1146.31866156815 786.45276207981 784.961732704849 786.917181038819 24 0 24 [394][M+1]+ 1183 545.975384016006 9.6265805540681 4.64745131267819e-10 +M1147.715T1047 1147.71512230424 1147.70989365419 1147.71692503099 1046.57572211705 1045.80233963866 1055.78403798968 19 0 15 655 95.6452615347975 4.84895478617472 4.99658415011872e-05 +M1199.797T1283 1199.79672419395 1199.79480380718 1199.79900296714 1282.64968837068 1277.90776207341 1287.97654491936 14 0 14 1315 326.370146233439 4.44419717189715 0.000145636361073898 +M1261.894T1045 1261.89392193443 1261.88991620335 1261.89761716841 1045.3986993124 1044.05269405756 1053.96066125563 22 0 17 [395][M]+ 656 76.8343975021422 6.3168814275892 1.08842025570155e-06 +M1262.899T1046 1262.89937511355 1262.89491190719 1262.90214639044 1045.75044807128 1044.05269405756 1054.22228272029 19 0 17 [395][M+1]+ 657 44.8102915189974 5.00971359774246 3.07505213239523e-05 +M1263.909T1046 1263.90883319443 1263.90515267633 1263.91386903148 1045.6163939697 1044.29790432915 1055.17590579492 20 0 14 [395][M+2]+ 658 95.7234091661993 5.9573801189081 2.69708962896686e-06 +M1281.863T1012 1281.86305393504 1281.86002738685 1281.86616600689 1011.63869852598 990.416687415049 1020.99073185221 28 0 18 955 420.508420339845 6.36722149997529 9.59263663391496e-07 +M1282.867T1019 1282.86695630274 1282.86542430108 1282.86793227107 1019.37774797717 1010.63264900832 1020.90985708422 17 0 14 659 55.6619635089368 5.53222079304403 8.23511272862731e-06 +M1283.878T1012 1283.8778443639 1283.87146928989 1283.87973194559 1012.3868701103 1011.31651726255 1023.13312785686 19 0 14 956 90.0977539586318 5.33739060805411 1.379601225171e-05 +M1283.881T1045 1283.8808612157 1283.87502724333 1283.88406123689 1045.06118727815 1043.91763604153 1054.59080441986 25 0 17 [396][M]+ 660 271.920366892475 5.5305076777913 8.31154683411661e-06 +M1284.884T1049 1284.88357511966 1284.88087420242 1284.88545190524 1049.24612725445 1043.51609021119 1055.42062943985 20 0 15 [396][M+1]+ 661 48.0053999264354 5.75080064924176 4.36321242225368e-06 +M1285.895T1046 1285.89478748246 1285.89243671132 1285.89667474019 1045.6163939697 1044.23462539894 1067.67827181028 24 0 15 [396][M+2]+ 662 199.809643012326 6.01917349198237 2.33717969244651e-06 +M1286.898T1046 1286.8977871467 1286.89091670728 1286.89959286455 1046.16651012606 1044.4215446447 1055.85640178269 20 0 14 [396][M+3]+ 663 211.641616028597 4.95045289367222 3.81907739661624e-05 +M1288.018T1288 1288.01816402178 1288.01670315972 1288.01913406374 1288.06862505313 1274.49616060686 1316.07586017119 21 1 16 [397][M]+ 122 1.48827289857972 0.53427527645603 0.643037564762605 +M1289.021T1288 1289.02142213344 1289.01999447558 1289.02207909172 1288.1067918885 1274.49616060686 1316.07586017119 18 1 14 [397][M+1]+ 122 1.31944238625258 0.317400176707983 0.779342395466107 +M1298.796T1045 1298.79557439251 1298.79189269051 1298.79925609452 1045.17903707985 1044.74237348619 1045.6157006735 2 2 0 523 15.004390212986 -1.68276219949584 0.234350972049318 +M1301.926T1047 1301.92647306672 1301.92184825005 1301.92909532049 1046.55187044956 1045.88218301494 1055.18470473042 16 0 14 664 96.8120099704622 5.34212827154982 1.35812544224123e-05 +M1303.942T1046 1303.94162499245 1303.93674717609 1303.94429216716 1046.3094204207 1045.55739848638 1055.85640178269 17 0 14 [398][M]+ 665 814.817663128309 5.81464357811191 3.97477266744772e-06 +M1304.945T1046 1304.94545746051 1304.94192203153 1304.94962660836 1046.26625372525 1045.79143244417 1055.17590579492 18 0 14 [398][M+1]+ 666 202.176442177553 5.3085735204765 1.48487305242639e-05 +M1323.91T1014 1323.90976139107 1323.90615489985 1323.91273960377 1014.06877739254 1013.52055514111 1023.74400277213 21 0 18 1087 71.8677073694951 5.24607302193984 1.73810788568485e-05 +M1476.862T1011 1476.86171229887 1476.85671237537 1476.86291147917 1010.79404159117 1009.9931106819 1020.14545935727 16 0 14 [3M+K]+ 479.304 30 176.285581313398 6.87874499425231 2.64003495509257e-07 +M1492.07T1087 1492.07012463954 1492.06589242852 1492.07315264503 1087.24767250027 1072.4893166943 1107.29805458364 6 2 4 760 3.29934641441081 -1.32823036684652 0.313392248933475 +M1512.134T1090 1512.13395738671 1512.13028624035 1512.13630751307 1090.42821958914 1085.57617993542 1099.7682066166 13 2 11 929 1.23844011982942 -0.344231701960545 0.759598740747016 +M1514.094T1077 1514.09441098129 1514.09082065085 1514.09780532094 1077.05686175177 1069.77469095069 1091.93679235326 4 2 2 761 1.23758661773846 0.43388145514646 0.695475502538162 +M1538.149T1097 1538.14929801488 1538.14605483192 1538.15112887591 1096.77262224084 1089.27481322306 1102.66779888037 7 2 5 [399][M]+ 109 1.10090875627502 0.185833481816785 0.866797276123588 +M1539.152T1095 1539.15210483775 1539.14583036089 1539.15441626234 1095.27146117946 1083.16904207622 1104.12086282473 8 2 6 [399][M+1]+ 109 1.55082706961593 0.776478142892996 0.502385330782865 +M1540.164T1094 1540.16415923332 1540.16118314061 1540.16646764965 1093.945049236 1089.57890598559 1101.507234872 15 1 14 930 1.82874657490287 0.846708655618284 0.468928170453308 +M1560.135T1094 1560.13457270181 1560.13261814223 1560.13681870232 1093.85265528964 1089.27481322306 1099.09533646082 14 2 12 [400][M]+ 919 1.02181183921517 -0.0375248283072069 0.972359514141601 +M1560.959T1013 1560.95948664555 1560.95518680697 1560.9630005975 1013.35580102808 1012.63538430785 1022.44267259471 20 0 14 [401][M]+ 46 75.9583255524898 6.40329188663622 8.60090693333149e-07 +M1561.138T1094 1561.13788904727 1561.1362509824 1561.14048894052 1093.90186233394 1089.27481322306 1099.78131507334 13 2 11 [400][M+1]+ 920 1.00994741730418 0.0173342910496679 0.987214390715718 +M1561.961T1013 1561.96134071939 1561.95717689781 1561.96453029156 1013.35603440357 1012.63538430785 1022.44267259471 19 0 14 [401][M+1]+ 46 88.4381911053249 6.28457673243797 1.15863650118619e-06 +M1562.15T1095 1562.14969641245 1562.145688515 1562.15223355758 1094.53803047136 1090.64028227866 1102.66779888037 15 2 13 [402][M]+ 931 1.16574948774999 0.25870718480265 0.815490780217099 +M1563.154T1095 1563.15415540761 1563.15186192359 1563.15599840149 1094.55986085099 1090.64028227866 1103.39362809199 14 2 12 [402][M+1]+ 932 1.20230845905677 0.288312721715197 0.793978996479539 +M1564.167T1093 1564.1666641827 1564.16065632199 1564.16977636579 1092.5482903579 1086.93768693393 1104.84949068302 19 2 17 [403][M]+ 933 2.97182265658779 2.10971362568546 0.083189396666961 +M1565.171T1092 1565.17089225227 1565.16675319768 1565.17468843015 1092.458347946 1086.93768693393 1104.84949068302 19 2 17 [403][M+1]+ 934 3.09748924900012 2.0289229311451 0.101232798432604 +M1566.166T1089 1566.16611858152 1566.16235145399 1566.16952460695 1089.36343063144 1077.63655613146 1104.84949068302 4 2 2 762 12.653154444375 4.74964015828045 5.49908456406456e-05 +M1566.181T1092 1566.18067066306 1566.17755168785 1566.18265161562 1092.10279582441 1088.9875291982 1096.04177349836 15 1 14 [403][M+2]+ 935 3.72914249770741 2.3954780320353 0.0667116160359544 +M1567.185T1092 1567.18526368697 1567.17992650595 1567.18731530347 1091.84188662937 1081.88593473408 1095.23035379262 16 1 14 [403][M+3]+ 936 3.52892318306203 2.12109658977135 0.092361627697171 +M1568.195T1091 1568.19456161011 1568.19221286338 1568.19707506258 1091.45879571758 1089.67139982342 1096.11811996113 14 0 14 [403][M+4]+ 937 4.55533467852885 2.56060397413644 0.0357228730921213 +M1569.199T1091 1569.19926031772 1569.19585656329 1569.20098905491 1091.03359131388 1087.62311561401 1095.43414178388 15 0 14 938 4.83947855316622 2.75684772180694 0.0264089435045287 +M1595.494T496 1595.49433501898 1595.49198450352 1595.49525398352 495.796080468539 495.371720488972 496.251169250058 14 0 14 [2M+Na]+ 786.254 111 Inf 4.8122508281505 5.51633932315276e-05