Mercurial > repos > lecorguille > camera_annotate
view test-data/faahKO.xset.group.retcor.group.fillPeaks.annotate.rules.variableMetadata.tsv @ 25:4b9ab71be05e draft default tip
planemo upload commit cfad09eb4dd6b1439b7de6a0852cd8fa22210f58
| author | workflow4metabolomics |
|---|---|
| date | Mon, 11 Sep 2023 22:40:34 +0000 |
| parents | abf1775ac14d |
| children |
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name namecustom mz mzmin mzmax rt rtmin rtmax npeaks KO WT ms_level isotopes adduct pcgroup fold tstat pvalue M200T2874 M200.1T47.9 200.100006103516 200.100006103516 200.100006103516 47.8947318557095 47.8947318557095 47.8947318557095 1 1 0 1 4952 4.61816862832644 -1.08144221877179 0.474562823536263 M200T3531 M200.2T58.9 200.199996948242 200.199996948242 200.199996948242 58.8553274251831 58.8553274251831 58.8553274251831 1 0 1 1 2109 Inf 1 0.5 M200T3486 M200.2T58.1 200.199996948242 200.199996948242 200.199996948242 58.1000849374137 58.1000849374137 58.1000849374137 1 1 0 1 1916 Inf -1 0.5 M200T3675 M200.2T61.2 200.199996948242 200.199996948242 200.199996948242 61.2439759127034 61.2439759127034 61.2439759127034 1 0 1 1 89 Inf 3.03800780452333 0.202440402631742 M200T3190 M200.2T53.2 200.199996948242 200.199996948242 200.199996948242 53.1621650835346 53.1621650835346 53.1621650835346 1 1 0 1 2419 Inf -1 0.5 M200T3875 M200.2T64.6 200.199996948242 200.199996948242 200.199996948242 64.5831795318337 64.5831795318337 64.5831795318337 1 1 0 1 4914 2.9010228436385 -1.33786402961147 0.312784536960144 M200T3810 M200.3T63.5 200.300003051758 200.300003051758 200.300003051758 63.5064392639983 63.5064392639983 63.5064392639983 1 0 1 1 3915 Inf 1 0.5 M200T3971 M200.3T66.2 200.300003051758 200.300003051758 200.300003051758 66.1778162231101 66.1778162231101 66.1778162231101 1 0 1 1 2151 1.06790584138742 -0.0464148917311149 0.967213447091979 M201T3543 M200.8T59.1 200.800003051758 200.800003051758 200.800003051758 59.0515056513687 59.0515056513687 59.0515056513687 1 1 0 1 2110 Inf -1 0.5 M201T3778 M200.8T63 200.800003051758 200.800003051758 200.800003051758 62.9626157504019 62.9626157504019 62.9626157504019 1 0 1 1 87 1.28690808364175 0.176042660621045 0.877341446786228 M201T4059 M200.8T67.7 200.800003051758 200.800003051758 200.800003051758 67.652198727761 67.652198727761 67.652198727761 1 0 1 1 5802 Inf 1.51774593463822 0.370886229980739 M201T3626 M200.9T60.4 200.900009155273 200.900009155273 200.900009155273 60.4329530869444 60.4329530869444 60.4329530869444 1 0 1 1 1694 2.67866986360844 0.9446451710092 0.455806501392568 M201T2556 M200.9T42.6 200.900009155273 200.900009155273 200.900009155273 42.6025781851637 42.6025781851637 42.6025781851637 1 1 0 1 3123 Inf -1 0.5 M201T3275 M200.9T54.6 200.900009155273 200.900009155273 200.900009155273 54.590089779022 54.590089779022 54.590089779022 1 0 1 1 5276 6.25897631854053 1.81637225574307 0.278284880764854 M201T3144 M201.1T52.4 201.100006103516 201.100006103516 201.100006103516 52.4002737744376 52.4002737744376 52.4002737744376 1 1 0 1 65 2.99057515593497 -0.806891314838124 0.561167425129716 M201T3509 M201.2T58.5 201.199996948242 201.199996948242 201.199996948242 58.4846557371507 58.4846557371507 58.4846557371507 1 1 0 1 4720 Inf -1.50387243866397 0.373576892362552 M201T3993 M201.2T66.6 201.199996948242 201.199996948242 201.199996948242 66.5529807871135 66.5529807871135 66.5529807871135 1 0 1 1 307 Inf 1 0.5 M201T3685 M201.2T61.4 201.199996948242 201.199996948242 201.199996948242 61.4178274707517 61.4178274707517 61.4178274707517 1 0 1 1 649 2.14117314890816 0.482897142340567 0.693220698544466 M201T4062 M201.2T67.7 201.199996948242 201.199996948242 201.199996948242 67.7058172328998 67.7058172328998 67.7058172328998 1 0 1 1 4103 2.1006346831936 0.510251812458469 0.692805990423738 M201T3793 M201.2T63.2 201.199996948242 201.199996948242 201.199996948242 63.2141918784118 63.2141918784118 63.2141918784118 1 0 1 1 5225 3.66038664691079 1.07451776875772 0.435485430519242 M201T4153 M201.3T69.2 201.300003051758 201.300003051758 201.300003051758 69.219286561254 69.219286561254 69.219286561254 1 1 0 1 308 Inf -1 0.5 M201T3880 M201.3T64.7 201.300003051758 201.300003051758 201.300003051758 64.673154878004 64.673154878004 64.673154878004 1 1 0 1 2359 2.24558956152768 -0.506711116608086 0.681348166197168 M201T4031 M201.3T67.2 201.300003051758 201.300003051758 201.300003051758 67.1750843626775 67.1750843626775 67.1750843626775 1 0 1 1 3930 Inf 1 0.5 M201T3931 M201.3T65.5 201.300003051758 201.300003051758 201.300003051758 65.5106130170248 65.5106130170248 65.5106130170248 1 0 1 1 3764 5.72410222555624 0.812987152867138 0.559013959309189 M202T3853 M201.7T64.2 201.699996948242 201.699996948242 201.699996948242 64.2170340722079 64.2170340722079 64.2170340722079 1 1 0 1 1461 Inf -1 0.5 M202T4016 M201.7T66.9 201.699996948242 201.699996948242 201.699996948242 66.9281891161364 66.9281891161364 66.9281891161364 1 0 1 1 236 Inf 1 0.5 M202T3304 M201.8T55.1 201.800003051758 201.800003051758 201.800003051758 55.0604645267179 55.0604645267179 55.0604645267179 1 1 0 1 5636 2.8065161767101 -0.631782447734307 0.635150429589445 M202T4066 M201.8T67.8 201.800003051758 201.800003051758 201.800003051758 67.7594306594103 67.7594306594103 67.7594306594103 1 0 1 1 4093 1.6384502771309 0.332611040857534 0.776740550249718 M202T3323 M201.8T55.4 201.800003051758 201.800003051758 201.800003051758 55.3786454978756 55.3786454978756 55.3786454978756 1 1 0 1 16 1.40196113686448 -0.233418603087977 0.839160761580207 M202T3175 M201.8T52.9 201.800003051758 201.800003051758 201.800003051758 52.9153150853663 52.9153150853663 52.9153150853663 1 1 0 1 909 Inf -1 0.5 M202T3279 M201.8T54.6 201.800003051758 201.800003051758 201.800003051758 54.6423479280473 54.6423479280473 54.6423479280473 1 1 0 1 1371 Inf -1 0.5 M202T3377 M201.8T56.3 201.800003051758 201.800003051758 201.800003051758 56.288011757658 56.288011757658 56.288011757658 1 1 0 1 1872 Inf -1 0.5 M202T3758 M201.8T62.6 201.800003051758 201.800003051758 201.800003051758 62.6287723971896 62.6287723971896 62.6287723971896 1 0 1 1 1080 1.87150027633743 0.410714492557196 0.731522331751325 M202T3191 M201.9T53.2 201.900009155273 201.900009155273 201.900009155273 53.1870937296854 53.1870937296854 53.1870937296854 1 1 0 1 2416 3.15655542771395 -1.2180748729946 0.430879964172928 M202T3893 M201.9T64.9 201.900009155273 201.900009155273 201.900009155273 64.8817645729978 64.8817645729978 64.8817645729978 1 1 0 1 4824 1.29382950114704 0.213693729775097 0.860223525216405 M202T4031 M201.9T67.2 201.900009155273 201.900009155273 201.900009155273 67.1806628524175 67.1806628524175 67.1806628524175 1 1 0 1 3931 Inf -1 0.5 M202T4007 M201.9T66.8 201.900009155273 201.900009155273 201.900009155273 66.7884906108419 66.7884906108419 66.7884906108419 1 1 0 1 157 2.90844194060205 -2.39574325065489 0.183256905742745 M202T3273 M201.9T54.5 201.900009155273 201.900009155273 201.900009155273 54.5464454387199 54.5464454387199 54.5464454387199 1 1 0 1 174 1.67390923754112 -0.430663180395255 0.72333720071542 M202T4136 M201.9T68.9 201.900009155273 201.900009155273 201.900009155273 68.9328100532061 68.9328100532061 68.9328100532061 1 0 1 1 4184 Inf 1 0.5 M202T3937 M202T65.6 202 202 202 65.6172383312314 65.6172383312314 65.6172383312314 1 0 1 1 4362 9.39775124947371 1.0940363193193 0.466635368926648 M202T2900 M202T48.3 202 202 202 48.328342711227 48.328342711227 48.328342711227 1 1 0 1 132 1.59446500463905 -0.464300290744246 0.705689347289277 M202T3290 M202.2T54.8 202.199996948242 202.199996948242 202.199996948242 54.8395183495808 54.8395183495808 54.8395183495808 1 0 1 1 200 Inf 1 0.5 M203T4032 M202.6T67.2 202.600006103516 202.600006103516 202.600006103516 67.2013458517549 67.2013458517549 67.2013458517549 1 0 1 1 3932 Inf 1 0.5 M203T3316 M202.8T55.3 202.800003051758 202.800003051758 202.800003051758 55.260680300435 55.260680300435 55.260680300435 1 0 1 1 560 Inf 1 0.5 M203T3303 M202.9T55 202.900009155273 202.900009155273 202.900009155273 55.0452557303393 55.0452557303393 55.0452557303393 1 1 0 1 5637 1.34151758913324 -0.332947691947759 0.791249441588637 M203T3974 M203.1T66.2 203.100006103516 203.100006103516 203.100006103516 66.2316834981915 66.2316834981915 66.2316834981915 1 0 1 1 4800 6.5917608027348 5.34192663600171 0.0894871069624252 M203T3348 M203.2T55.8 203.199996948242 203.199996948242 203.199996948242 55.8051132829626 55.8051132829626 55.8051132829626 1 1 0 1 863 Inf -1 0.5 M203T4139 M203.2T69 203.199996948242 203.199996948242 203.199996948242 68.9842381463625 68.9842381463625 68.9842381463625 1 1 0 1 4295 1.00797280641709 0.00651739739123625 0.995449988209678 M203T2682 M203.2T44.7 203.199996948242 203.199996948242 203.199996948242 44.7082419781817 44.7082419781817 44.7082419781817 1 0 1 1 711 Inf 1 0.5 M203T4177 M203.2T69.6 203.199996948242 203.199996948242 203.199996948242 69.6108324208964 69.6108324208964 69.6108324208964 1 1 0 1 [M-H-H6O3]- 258.231 115 1.29142433109243 -0.248221532769055 0.831182025420977 M203T3790 M203.2T63.2 203.199996948242 203.199996948242 203.199996948242 63.1638780408896 63.1638780408896 63.1638780408896 1 1 0 1 5226 6.30843676086489 -0.831104940137387 0.553111561714456 M203T3718 M203.2T62 203.199996948242 203.199996948242 203.199996948242 61.965926862606 61.965926862606 61.965926862606 1 0 1 1 3624 1.89568209036013 0.417904263881589 0.72755304618634 M203T3328 M203.2T55.5 203.199996948242 203.199996948242 203.199996948242 55.4744948825961 55.4744948825961 55.4744948825961 1 1 0 1 1240 Inf -1 0.5 M203T4051 M203.3T67.5 203.300003051758 203.300003051758 203.300003051758 67.5164714313051 67.5164714313051 67.5164714313051 1 0 1 1 3590 Inf 33.0061786308912 0.0192819985592982 M204T3525 M203.7T58.7 203.699996948242 203.699996948242 203.699996948242 58.7488831524111 58.7488831524111 58.7488831524111 1 0 1 1 385 7.19921609744903 0.852907164790219 0.546114336251277 M204T4123 M203.8T68.7 203.800003051758 203.800003051758 203.800003051758 68.7233269940921 68.7233269940921 68.7233269940921 1 0 1 1 1591 3.36532606074001 0.67373663340625 0.608390039819408 M204T3060 M203.8T51 203.800003051758 203.800003051758 203.800003051758 51.0026753565844 51.0026753565844 51.0026753565844 1 1 0 1 2651 9.68171945387213 -0.891967299073692 0.533793240443488 M204T4020 M203.8T67 203.800003051758 203.800003051758 203.800003051758 67.0019855094491 67.0019855094491 67.0019855094491 1 1 0 1 180 21.7750664831454 -4.44294100444421 0.124412678606295 M204T3664 M203.8T61.1 203.800003051758 203.800003051758 203.800003051758 61.0688380844732 61.0688380844732 61.0688380844732 1 1 0 1 2 7.68475362039703 -0.862599565414972 0.543034828492011 M204T4138 M204.1T69 204.100006103516 204.100006103516 204.100006103516 68.9589830003765 68.9589830003765 68.9589830003765 1 0 1 1 4296 Inf 1 0.5 M204T3837 M204.1T64 204.100006103516 204.100006103516 204.100006103516 63.95033645093 63.95033645093 63.95033645093 1 0 1 1 67 1.87940907057602 0.870427258035573 0.539310101635804 M204T2629 M204.2T43.8 204.199996948242 204.199996948242 204.199996948242 43.8121482941184 43.8121482941184 43.8121482941184 1 0 1 1 50 Inf 1 0.5 M204T3395 M204.2T56.6 204.199996948242 204.199996948242 204.199996948242 56.5838515821329 56.5838515821329 56.5838515821329 1 0 1 1 474 1.8966708624242 1.10394294796497 0.428560268811101 M204T4073 M204.3T67.9 204.300003051758 204.300003051758 204.300003051758 67.8866112830104 67.8866112830104 67.8866112830104 1 1 0 1 4104 Inf -1 0.5 M204T3700 M204.4T61.7 204.400009155273 204.400009155273 204.400009155273 61.6635852606029 61.6635852606029 61.6635852606029 1 0 1 1 4416 Inf 1 0.5 M204T3598 M204.4T60 204.400009155273 204.400009155273 204.400009155273 59.9698756401058 59.9698756401058 59.9698756401058 1 0 1 1 1558 2.07204886773937 0.465959080230589 0.701896913451718 M205T3576 M204.8T59.6 204.800003051758 204.800003051758 204.800003051758 59.6022243130467 59.6022243130467 59.6022243130467 1 0 1 1 1760 1.15782433487709 0.103160713934455 0.927423655902067 M205T2588 M204.9T43.1 204.900009155273 204.900009155273 204.900009155273 43.1363071750629 43.1363071750629 43.1363071750629 1 0 1 1 2957 3.47291223089662 0.684255825241767 0.604350890731555 M205T2788 M205T46.5 205 205 205 46.4707766790657 46.4667979189112 46.4906555055116 4 2 2 1 [1][M]- [M-H-C2H4O2]- 266.03 13 1.0223702236974 0.157452084347424 0.896788425078068 M205T4038 M205.1T67.3 205.100006103516 205.100006103516 205.100006103516 67.291913669596 67.291913669596 67.291913669596 1 1 0 1 4972 Inf -1 0.5 M205T3779 M205.2T63 205.199996948242 205.199996948242 205.199996948242 62.9782326942253 62.9680756387904 62.9883897496602 2 1 1 1 3843 1.86478873239429 0.408691193604645 0.732645389900879 M205T3756 M205.2T62.6 205.199996948242 205.199996948242 205.199996948242 62.6031861254977 62.6031861254977 62.6031861254977 1 0 1 1 1081 Inf 1 0.5 M205T3915 M205.2T65.2 205.199996948242 205.199996948242 205.199996948242 65.247062799114 65.247062799114 65.247062799114 1 1 0 1 3020 6.07889529190861 -0.824415953617077 0.55528060887759 M205T4061 M205.3T67.7 205.300003051758 205.300003051758 205.300003051758 67.6790085755907 67.6790085755907 67.6790085755907 1 0 1 1 5803 Inf 1 0.5 M206T4077 M205.7T67.9 205.699996948242 205.699996948242 205.699996948242 67.9470113973537 67.9470113973537 67.9470113973537 1 0 1 1 4105 1.07585192138239 0.0516410989889308 0.963530678070781 M206T3350 M205.8T55.8 205.800003051758 205.800003051758 205.800003051758 55.8371172487357 55.8371172487357 55.8371172487357 1 0 1 1 864 2.21676149793412 0.500338175712409 0.68448811003005 M206T3091 M205.8T51.5 205.800003051758 205.800003051758 205.800003051758 51.515618306721 51.515618306721 51.515618306721 1 0 1 1 254 Inf 1 0.5 M206T3290 M205.8T54.8 205.800003051758 205.800003051758 205.800003051758 54.8395183495808 54.8395183495808 54.8395183495808 1 0 1 1 5908 Inf 1 0.5 M206T3197 M205.9T53.3 205.900009155273 205.900009155273 205.900009155273 53.286473516549 53.286473516549 53.286473516549 1 1 0 1 1841 Inf -1.56067385781851 0.362774129289232 M206T4102 M205.9T68.4 205.900009155273 205.900009155273 205.900009155273 68.3722655389683 68.3722655389683 68.3722655389683 1 1 0 1 2437 2.12562336072738 -2.41261800854492 0.144993678087717 M206T2789 M206T46.5 206 206 206 46.4764972219379 46.452559506547 46.489903531075 3 1 2 1 [1][M+1]- 13 1.15538564031942 5.50938099269905 0.107586999705294 M206T3441 M206T57.4 206 206 206 57.3538943918303 57.3538943918303 57.3538943918303 1 0 1 1 3000 1.25857503384479 -0.312999734392454 0.803123269997861 M206T3243 M206.2T54.1 206.199996948242 206.199996948242 206.199996948242 54.0543046775046 54.0543046775046 54.0543046775046 1 1 0 1 5122 2.4888538575623 -0.555079228196543 0.658400066742467 M206T3258 M206.2T54.3 206.199996948242 206.199996948242 206.199996948242 54.2934560040532 54.2934560040532 54.2934560040532 1 0 1 1 2061 Inf 1 0.5 M206T2542 M206.2T42.4 206.199996948242 206.199996948242 206.199996948242 42.3677817811007 42.3677817811007 42.3677817811007 1 0 1 1 232 Inf 1 0.5 M206T3353 M206.2T55.9 206.199996948242 206.199996948242 206.199996948242 55.8776403097225 55.8776403097225 55.8776403097225 1 0 1 1 865 1.62620326300472 0.426199904653216 0.711647769292604 M206T3191 M206.2T53.2 206.199996948242 206.199996948242 206.199996948242 53.1828690639556 53.1828690639556 53.1828690639556 1 1 0 1 2420 Inf -3.49995307016364 0.177173320421063 M206T3758 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M383.3T63.2 383.300018310547 383.300018310547 383.300018310547 63.2014004346238 63.2014004346238 63.2014004346238 1 1 0 1 [M-H-C6H8O6]- 560.334 146 5.7802663526466 -0.814892696953383 0.558388988663092 M383T4099 M383.3T68.3 383.300018310547 383.300018310547 383.300018310547 68.319598653515 68.319598653515 68.319598653515 1 1 0 1 5967 Inf -1 0.5 M383T4043 M383.3T67.4 383.300018310547 383.300018310547 383.300018310547 67.3851800815275 67.3851800815275 67.3851800815275 1 0 1 1 4334 Inf 2.96191828963735 0.207285126727712 M383T3520 M383.3T58.7 383.300018310547 383.300018310547 383.300018310547 58.6688180001859 58.6688180001859 58.6688180001859 1 0 1 1 414 14.1493855181739 2.00005841472454 0.286294616071779 M383T3357 M383.3T55.9 383.300018310547 383.300018310547 383.300018310547 55.9479578921029 55.9479578921029 55.9479578921029 1 1 0 1 841 2.50706558360631 -0.558349474692109 0.656904268746615 M384T2695 M383.9T44.9 383.899993896484 383.899993896484 383.899993896484 44.9114451048348 44.9114451048348 44.9114451048348 1 0 1 1 5379 Inf 1 0.5 M384T2948 M383.9T49.1 383.899993896484 383.899993896484 383.899993896484 49.1327261887321 49.1327261887321 49.1327261887321 1 0 1 1 3302 Inf 1 0.5 M384T4147 M384T69.1 384 384 384 69.1088785530298 69.1088785530298 69.1088785530298 1 1 0 1 5765 Inf -1 0.5 M384T4266 M384T71.1 384 384 384 71.0967321069413 71.0967321069413 71.0967321069413 1 0 1 1 343 Inf 1 0.5 M384T3138 M384T52.3 384 384 384 52.2963783686612 52.2963783686612 52.2963783686612 1 1 0 1 5201 3.33980712018944 -0.671142706807731 0.609395127016153 M384T2917 M384T48.6 384 384 384 48.6202511968846 48.6202511968846 48.6202511968846 1 1 0 1 2824 10.9105840138766 -1.29218705445586 0.413886769281699 M384T3311 M384T55.2 384 384 384 55.1862204839922 55.1862204839922 55.1862204839922 1 1 0 1 589 Inf -1 0.5 M384T2600 M384.1T43.3 384.100006103516 384.100006103516 384.100006103516 43.3328948518303 43.3328948518303 43.3328948518303 1 1 0 1 59 6.6825920696859 -1.08823694790059 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384.200012207031 384.200012207031 384.200012207031 66.420149480947 66.3655112682122 66.4747876936818 2 1 1 1 117 5.43185049617125 -3.78673502365063 0.110928105854088 M384T3979 M384.3T66.3 384.300018310547 384.300018310547 384.300018310547 66.3096400467484 66.2316834981915 66.3875965953053 2 0 2 1 124 2.58294905181206 -0.627240911959191 0.642611408078267 M384T3170 M384.3T52.8 384.300018310547 384.300018310547 384.300018310547 52.835213510733 52.835213510733 52.835213510733 1 1 0 1 925 10.0246254844901 -0.895799662936321 0.532594896742154 M384T4080 M384.3T68 384.300018310547 384.300018310547 384.300018310547 68.0005941381627 68.0005941381627 68.0005941381627 1 0 1 1 5862 Inf 1 0.5 M384T2610 M384.3T43.5 384.300018310547 384.300018310547 384.300018310547 43.5014571750629 43.5014571750629 43.5014571750629 1 0 1 1 4066 Inf 1 0.5 M384T3350 M384.4T55.8 384.399993896484 384.399993896484 384.399993896484 55.8251128909798 55.8251128909798 55.8251128909798 1 1 0 1 877 Inf -1 0.5 M385T4198 M385T70 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-0.704805242422319 0.555303022291448 M385T3981 M385.2T66.3 385.200012207031 385.200012207031 385.200012207031 66.3432814371966 66.3432814371966 66.3432814371966 2 1 0 1 117 4.06146373656997 -9.15236459311904 0.0683148919535657 M385T2969 M385.2T49.5 385.200012207031 385.200012207031 385.200012207031 49.4783803078037 49.4783803078037 49.4783803078037 1 0 1 1 [M-H]- 386.21 71 1.22332917913336 -0.17005545147609 0.881181687799205 M385T3992 M385.3T66.5 385.300018310547 385.300018310547 385.300018310547 66.5261923948519 66.5261923948519 66.5261923948519 1 0 1 1 5959 Inf 4.23866823382329 0.147496287155345 M385T4161 M385.3T69.4 385.300018310547 385.300018310547 385.300018310547 69.3511837737199 69.3511837737199 69.3511837737199 1 0 1 1 6045 5.72604078257591 1.60982353397894 0.314605808688047 M385T3379 M385.3T56.3 385.300018310547 385.300018310547 385.300018310547 56.3145299703182 56.3145299703182 56.3145299703182 1 1 0 1 1884 Inf -1 0.5 M385T3523 M385.3T58.7 385.300018310547 385.300018310547 385.300018310547 58.72221597237 58.72221597237 58.72221597237 1 0 1 1 415 1.39921140475253 0.340390648805928 0.771741192359722 M385T3969 M385.3T66.2 385.300018310547 385.300018310547 385.300018310547 66.1514231960437 66.1514231960437 66.1514231960437 1 0 1 1 2202 Inf 1 0.5 M385T2828 M385.3T47.1 385.300018310547 385.300018310547 385.300018310547 47.1308394159912 47.1308394159912 47.1308394159912 1 0 1 1 4775 Inf 1 0.5 M386T3094 M386T51.6 386 386 386 51.5671314017325 51.5671314017325 51.5671314017325 1 0 1 1 5635 3.3914208738838 0.676349014933417 0.60738145537726 M386T2621 M386T43.7 386 386 386 43.6840405083962 43.6840405083962 43.6840405083962 1 0 1 1 2697 1.53935759610906 1.64671267708475 0.346893142146316 M386T3028 M386T50.5 386 386 386 50.4687092048645 50.4687092048645 50.4687092048645 1 1 0 1 2317 5.3734590166474 -0.800162001572178 0.563248001913888 M386T3646 M386.1T60.8 386.100006103516 386.100006103516 386.100006103516 60.7740770800883 60.7740770800883 60.7740770800883 1 0 1 1 [67][M+1]- 1686 Inf 1.37613102623981 0.400055189948151 M386T3440 M386.2T57.3 386.200012207031 386.200012207031 386.200012207031 57.3258788082728 57.3152031155211 57.5213915824967 3 2 1 1 [68][M+1]- 60 1.03403545545817 -0.483514119420001 0.712703271183575 M386T4123 M386.2T68.7 386.200012207031 386.200012207031 386.200012207031 68.7233269940921 68.7233269940921 68.7233269940921 1 0 1 1 [69][M+1]- 22 1.39534029534993 1.81372981575793 0.260746905646887 M386T3180 M386.2T53 386.200012207031 386.200012207031 386.200012207031 52.9957081136258 52.9957081136258 52.9957081136258 1 1 0 1 893 2.69517862201731 -1.25477084276237 0.421600088327792 M386T3508 M386.3T58.5 386.300018310547 386.300018310547 386.300018310547 58.470262098765 58.470262098765 58.470262098765 1 1 0 1 120 Inf -1.17090982037832 0.449983821292215 M386T4131 M386.3T68.9 386.300018310547 386.300018310547 386.300018310547 68.8542741612287 68.8542741612287 68.8542741612287 1 0 1 1 4207 1.33312073450621 -0.263081209048278 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400.100006103516 400.100006103516 57.4602928747255 57.4602928747255 57.4602928747255 1 0 1 1 3009 1.33202588730011 -0.199340611289138 0.861682682444445 M400T3920 M400.1T65.3 400.100006103516 400.100006103516 400.100006103516 65.3402058104803 65.3402058104803 65.3402058104803 1 0 1 1 3054 Inf 1.20015102778452 0.44224472155363 M400T4227 M400.1T70.4 400.100006103516 400.100006103516 400.100006103516 70.4454258435523 70.4454258435523 70.4454258435523 1 1 0 1 194 106.253415612681 -1.12173202958321 0.463481704074897 M400T4328 M400.1T72.1 400.100006103516 400.100006103516 400.100006103516 72.1405620826889 72.1405620826889 72.1405620826889 1 1 0 1 262 Inf -2.13088381330685 0.279334904690427 M400T4084 M400.1T68.1 400.100006103516 400.100006103516 400.100006103516 68.0696171467171 68.0696171467171 68.0696171467171 1 1 0 1 147 20.9386341638073 -0.951157270886172 0.515356022334184 M400T3817 M400.2T63.6 400.200012207031 400.200012207031 400.200012207031 63.6160824755683 63.5485753456033 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550.700012207031 550.700012207031 71.880168157081 71.880168157081 71.880168157081 1 0 1 1 6392 Inf 1.80745341614907 0.321713363545026 M551T2594 M550.7T43.2 550.700012207031 550.700012207031 550.700012207031 43.2406405083962 43.2406405083962 43.2406405083962 1 0 1 1 2987 Inf 1 0.5 M551T4288 M550.8T71.5 550.799987792969 550.799987792969 550.799987792969 71.4618821069412 71.4618821069412 71.4618821069412 1 0 1 1 6315 Inf 1 0.5 M551T2695_2 M550.9T44.9_2 550.900024414062 550.900024414062 550.900024414062 44.9097345652231 44.9097345652231 44.9097345652231 1 1 0 1 5386 Inf -1 0.5 M551T2940 M550.9T49 550.900024414062 550.900024414062 550.900024414062 48.9941042477434 48.9941042477434 48.9941042477434 1 1 0 1 [185][M+1]2- 2878 Inf -1 0.5 M551T2595 M550.9T43.3 550.900024414062 550.900024414062 550.900024414062 43.2545825068144 43.2545825068144 43.2545825068144 1 1 0 1 2988 Inf -3.32162103901703 0.186164804981731 M551T3203 M550.9T53.4 550.900024414062 550.900024414062 550.900024414062 53.3892270908026 53.3892270908026 53.3892270908026 1 0 1 1 1863 Inf 1 0.5 M551T3355 M550.9T55.9 550.900024414062 550.900024414062 550.900024414062 55.9167908314998 55.9167908314998 55.9167908314998 1 0 1 1 851 Inf 1 0.5 M551T3507 M551.1T58.4 551.100036621094 551.100036621094 551.100036621094 58.4444731628951 58.4444731628951 58.4444731628951 1 1 0 1 3572 6.51784643342435 -1.48272110289981 0.353606240350461 M551T3582 M551.2T59.7 551.200012207031 551.200012207031 551.200012207031 59.6962599049315 59.6768740863982 59.7156457234647 2 1 1 1 [184][M+1]- 26 1.03099376269046 -0.386057372346899 0.763891492973042 M551T3646 M551.2T60.8 551.200012207031 551.200012207031 551.200012207031 60.7635492578942 60.7635492578942 60.7635492578942 1 1 0 1 [182][M+1]- 24 1.29914662963138 -0.878787876919613 0.535091670255429 M551T2843 M551.2T47.4 551.200012207031 551.200012207031 551.200012207031 47.387637924308 47.387637924308 47.387637924308 1 0 1 1 118 Inf 29.3272530963051 0.021699039306009 M551T4000 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551.200012207031 74.514518157081 74.514518157081 74.514518157081 1 0 1 1 6230 2.25087108013937 0.507862670837532 0.680783701238545 M551T3840 M551.3T64 551.299987792969 551.299987792969 551.299987792969 64.0027570007374 64.0027570007374 64.0027570007374 1 0 1 1 [M+Cl]- 516.332 20 1.62434466994578 0.391981796894387 0.737418906782476 M551T4443 M551.3T74 551.299987792969 551.299987792969 551.299987792969 74.0440654402746 74.0440654402746 74.0440654402746 1 0 1 1 328 Inf 1 0.5 M551T3858 M551.3T64.3 551.299987792969 551.299987792969 551.299987792969 64.2954355791557 64.2954355791557 64.2954355791557 1 1 0 1 [M+Cl]- 516.332 20 1.3693085481601 -0.248873931202834 0.830016335102588 M551T3022 M551.3T50.4 551.299987792969 551.299987792969 551.299987792969 50.3747410794174 50.3747410794174 50.3747410794174 1 0 1 1 2349 1.95620774754625 0.435236101645643 0.718123500785075 M551T2823 M551.3T47.1 551.299987792969 551.299987792969 551.299987792969 47.0522356855179 47.0522356855179 47.0522356855179 1 0 1 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61.6106432957965 61.6106432957965 61.6106432957965 1 1 0 1 5564 5.72376164343827 -2.21214461945455 0.270035486839017 M552T2633 M552.1T43.9 552.100036621094 552.100036621094 552.100036621094 43.8827176001695 43.8827176001695 43.8827176001695 1 1 0 1 2725 1.28735024692589 -2.05196489821705 0.179749915298862 M552T3545 M552.1T59.1 552.100036621094 552.100036621094 552.100036621094 59.0783994129103 59.0783994129103 59.0783994129103 1 1 0 1 2505 1.55116433482322 -0.435628345574879 0.707926949231929 M552T3346 M552.2T55.8 552.200012207031 552.200012207031 552.200012207031 55.7749013109824 55.7749013109824 55.7749013109824 1 0 1 1 [M-2H+Na]- 531.212 [M-H]- 553.21 9 1.81501753992201 4.40791712671562 0.139821184358357 M552T3881 M552.2T64.7 552.200012207031 552.200012207031 552.200012207031 64.688290335125 64.688290335125 64.688290335125 1 0 1 1 41 2.57326267804526 0.601811020116239 0.637138729150923 M552T3822 M552.3T63.7 552.299987792969 552.299987792969 552.299987792969 63.6936560300077 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63.8194595061727 2 1 1 1 3998 3.8486719829777 0.716382965911037 0.592364926917819 M552T3309 M552.4T55.1 552.400024414062 552.400024414062 552.400024414062 55.1450245162751 55.1450245162751 55.1450245162751 1 0 1 1 619 Inf 2.11876556592644 0.280733802741411 M552T2886 M552.4T48.1 552.400024414062 552.400024414062 552.400024414062 48.0986185464838 48.0986185464838 48.0986185464838 1 0 1 1 6036 1.18037288730131 -0.116593539758314 0.918088541892497 M552T2686 M552.4T44.8 552.400024414062 552.400024414062 552.400024414062 44.7631891292455 44.7631891292455 44.7631891292455 1 1 0 1 786 20.8023453076382 -0.950830508641654 0.515457870134293 M552T4468 M552.4T74.5 552.400024414062 552.400024414062 552.400024414062 74.4623514904143 74.4623514904143 74.4623514904143 1 0 1 1 6323 Inf 1.75938286464602 0.329034247697728 M552T2782 M552.4T46.4 552.400024414062 552.400024414062 552.400024414062 46.3692108588951 46.3692108588951 46.3692108588951 1 0 1 1 1662 Inf 1 0.5 M552T3158 M552.4T52.6 552.400024414062 552.400024414062 552.400024414062 52.6280505991517 52.6280505991517 52.6280505991517 1 0 1 1 3177 Inf 2.48063801600761 0.243949475137889 M552T2795 M552.5T46.6 552.5 552.5 552.5 46.5815811653361 46.5815811653361 46.5815811653361 1 0 1 1 4177 Inf 1 0.5 M552T4319 M552.5T72 552.5 552.5 552.5 71.9845014904143 71.9845014904143 71.9845014904143 1 0 1 1 6387 Inf 1 0.5 M553T3157 M552.8T52.6 552.799987792969 552.799987792969 552.799987792969 52.6199440089922 52.6199440089922 52.6199440089922 1 0 1 1 3178 Inf 1 0.5 M553T2628 M552.8T43.8 552.799987792969 552.799987792969 552.799987792969 43.8036811905494 43.8036811905494 43.8036811905494 1 1 0 1 2726 1.11644703555861 -0.0776926032409806 0.9452210285531 M553T2785 M552.8T46.4 552.799987792969 552.799987792969 552.799987792969 46.4152401678601 46.4152401678601 46.4152401678601 1 1 0 1 1663 Inf -1 0.5 M553T2722 M552.9T45.4 552.900024414062 552.900024414062 552.900024414062 45.3636061304876 45.3636061304876 45.3636061304876 1 1 0 1 2600 Inf 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554.100036621094 554.100036621094 554.100036621094 52.1884282070666 52.1884282070666 52.1884282070666 1 1 0 1 [M+Cl+HCOOH]- 473.112 5192 Inf -2.48107042635574 0.243910999258091 M554T2534 M554.2T42.2 554.200012207031 554.200012207031 554.200012207031 42.2374281851637 42.2374281851637 42.2374281851637 1 1 0 1 6185 3.44497777777778 -1.27519043312612 0.35220300372735 M554T3333 M554.2T55.5 554.200012207031 554.200012207031 554.200012207031 55.5434131084897 55.5434131084897 55.5434131084897 1 0 1 1 16 1.30899136170803 0.382637920849179 0.744664254727042 M554T4205 M554.2T70.1 554.200012207031 554.200012207031 554.200012207031 70.0794139371721 70.0794139371721 70.0794139371721 1 1 0 1 5176 Inf -1 0.5 M554T3737 M554.2T62.3 554.200012207031 554.200012207031 554.200012207031 62.2825179689165 62.2825179689165 62.2825179689165 1 1 0 1 3485 2.37411994393472 -0.573605532844027 0.665733463168562 M554T3214 M554.2T53.6 554.200012207031 554.200012207031 554.200012207031 53.5700635516054 53.5700635516054 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52.2352281792503 52.2352281792503 52.2352281792503 1 0 1 1 5209 Inf 1.6287563288856 0.350538716707198 M570T3616 M570.3T60.3 570.299987792969 570.299987792969 570.299987792969 60.2641449055571 60.2641449055571 60.2641449055571 2 1 0 1 [208][M+2]- 53 1.9464510065762 -0.815275327203041 0.546327458159277 M570T4120 M570.3T68.7 570.299987792969 570.299987792969 570.299987792969 68.6662724582173 68.6618127266272 68.6707321898074 2 2 0 1 [216][M]- 1814 2.95204221582401 -1.84709662784638 0.225255593839124 M570T3498 M570.3T58.3 570.299987792969 570.299987792969 570.299987792969 58.2944865237649 58.2582009274044 58.3307721201254 2 1 1 1 76 2.53353250624321 -0.600393189163079 0.653186842638854 M570T3175 M570.3T52.9 570.299987792969 570.299987792969 570.299987792969 52.9203631959556 52.9203631959556 52.9203631959556 1 0 1 1 [211][M+1]- 946 5.69265415393058 0.81190326168093 0.559369910059286 M570T4127 M570.4T68.8 570.400024414062 570.400024414062 570.400024414062 68.7757136809182 68.7228480419734 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579.400024414062 579.400024414062 579.400024414062 55.6772229260896 55.6772229260896 55.6772229260896 1 0 1 1 5189 Inf 1 0.5 M579T3326 M579.4T55.4 579.400024414062 579.400024414062 579.400024414062 55.4401430984595 55.4401430984595 55.4401430984595 1 0 1 1 1293 Inf 1 0.5 M579T2922 M579.4T48.7 579.400024414062 579.400024414062 579.400024414062 48.7003646210901 48.7003646210901 48.7003646210901 1 1 0 1 2933 Inf -1 0.5 M580T4038 M579.5T67.3 579.5 579.5 579.5 67.306393637607 67.306393637607 67.306393637607 1 0 1 1 4984 Inf 1 0.5 M580T3293 M579.5T54.9 579.5 579.5 579.5 54.8879131029355 54.8879131029355 54.8879131029355 1 1 0 1 5600 Inf -1 0.5 M580T2584 M579.5T43.1 579.5 579.5 579.5 43.0720158401477 43.0720158401477 43.0720158401477 1 1 0 1 5827 Inf -1 0.5 M580T3672 M579.5T61.2 579.5 579.5 579.5 61.1939899299486 61.1939899299486 61.1939899299486 1 0 1 1 469 Inf 1 0.5 M580T2524 M579.7T42.1 579.700012207031 579.700012207031 579.700012207031 42.0669238417295 42.0669238417295 42.0669238417295 1 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72.5051821069412 72.5051821069412 1 0 1 1 6358 Inf 1 0.5 M580T3494 M579.9T58.2 579.900024414062 579.900024414062 579.900024414062 58.2284787721404 58.2284787721404 58.2284787721404 1 1 0 1 3705 Inf -1.33024686876849 0.410373944197671 M580T2520 M579.9T42 579.900024414062 579.900024414062 579.900024414062 42.0026781851637 42.0026781851637 42.0026781851637 1 1 0 1 5311 Inf -1 0.5 M580T3498 M580T58.3 580 580 580 58.2932879064627 58.2932879064627 58.2932879064627 1 0 1 1 [M+Cl]- 545.032 [M-H]- 581.009 [M-H-H2]- 583.011 76 5.17114282174505 1.14459647391492 0.456459002658411 M580T2789 M580.1T46.5 580.100036621094 580.100036621094 580.100036621094 46.4764972219379 46.4586508115145 46.4906555055116 5 2 2 1 [225][M+1]- 13 1.27940663826667 0.494713243831993 0.676131787178095 M580T3341 M580.1T55.7 580.100036621094 580.100036621094 580.100036621094 55.6772229260896 55.6772229260896 55.6772229260896 1 0 1 1 5190 Inf 1 0.5 M580T4205 M580.1T70.1 580.100036621094 580.100036621094 580.100036621094 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68.398580145264 68.398580145264 68.398580145264 1 1 0 1 43 Inf -1.14992416479483 0.455677309074288 M580T3965 M580.2T66.1 580.200012207031 580.200012207031 580.200012207031 66.082775996861 66.082775996861 66.082775996861 1 1 0 1 2252 Inf -1 0.5 M580T4277 M580.2T71.3 580.200012207031 580.200012207031 580.200012207031 71.2798454160223 71.2798454160223 71.2798454160223 1 1 0 1 275 1.37872578241431 0.369691308125168 0.747088069910917 M580T4125 M580.3T68.7 580.299987792969 580.299987792969 580.299987792969 68.749548548066 68.6881270745698 68.749548548066 3 1 1 1 [M-H]- 581.31 22 2.00967146438986 0.967028760017115 0.503416264905901 M580T3326 M580.3T55.4 580.299987792969 580.299987792969 580.299987792969 55.4371531934967 55.4371531934967 55.4371531934967 1 0 1 1 [M-H]- 581.308 16 Inf 3.6790326691186 0.168958009345455 M580T3812 M580.3T63.5 580.299987792969 580.299987792969 580.299987792969 63.5275991118914 63.5275991118914 63.5275991118914 1 1 0 1 [226][M+1]- 123 2.19846823454043 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1 1 0 1 5882 3.69866890366741 -0.704343212224668 0.596796785521616 M581T2911 M580.9T48.5 580.900024414062 580.900024414062 580.900024414062 48.5132840271218 48.5132840271218 48.5132840271218 1 1 0 1 2828 Inf -1 0.5 M581T2760 M580.9T46 580.900024414062 580.900024414062 580.900024414062 45.9997395463766 45.9997395463766 45.9997395463766 1 1 0 1 5118 Inf -1 0.5 M581T3497 M581T58.3 581 581 581 58.2850943883137 58.2850943883137 58.2850943883137 1 0 1 1 3581 Inf 1 0.5 M581T3262 M581T54.4 581 581 581 54.3622181740699 54.3622181740699 54.3622181740699 1 1 0 1 85 4.56558021658124 -0.762884746273354 0.575862541990191 M581T2882 M581T48 581 581 581 48.0392761893632 48.0392761893632 48.0392761893632 1 1 0 1 4881 3.12263851697644 -1.59140995194954 0.349924219934126 M581T3766 M581T62.8 581 581 581 62.774688335287 62.774688335287 62.774688335287 1 1 0 1 1158 Inf -1 0.5 M581T2788 M581.1T46.5 581.100036621094 581.100036621094 581.100036621094 46.4716075060293 46.452559506547 46.4906555055116 2 1 1 1 [225][M+2]- 13 1.34066804955989 -0.28768960890567 0.81549586655192 M581T3639 M581.1T60.7 581.100036621094 581.100036621094 581.100036621094 60.6519560197792 60.6519560197792 60.6519560197792 1 0 1 1 4270 1.53535235730869 0.446966057284612 0.704506675520627 M581T3901 M581.1T65 581.100036621094 581.100036621094 581.100036621094 65.0122000707762 65.0122000707762 65.0122000707762 1 1 0 1 4988 Inf -1 0.5 M581T4256 M581.1T70.9 581.100036621094 581.100036621094 581.100036621094 70.9412014904143 70.9412014904143 70.9412014904143 1 0 1 1 267 1.82430364248546 0.396222733188173 0.739624384385801 M581T4061 M581.1T67.7 581.100036621094 581.100036621094 581.100036621094 67.6790085755907 67.6790085755907 67.6790085755907 1 0 1 1 5818 6.01792035475797 0.822550593621195 0.55588754041102 M581T4224 M581.2T70.4 581.200012207031 581.200012207031 581.200012207031 70.3932799402434 70.3932799402434 70.3932799402434 1 0 1 1 5552 9.0199297996363 1.65322531838015 0.331156674528492 M581T2787 M581.2T46.4 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59.6550891838249 59.6550891838249 59.6550891838249 1 0 1 1 1797 2.99307725013539 0.631577891382808 0.625190236196329 M581T2875 M581.3T47.9 581.299987792969 581.299987792969 581.299987792969 47.9249254561395 47.9249254561395 47.9249254561395 1 0 1 1 4951 2.59861124909076 0.657302704485403 0.625861670365944 M581T3424 M581.3T57.1 581.299987792969 581.299987792969 581.299987792969 57.0652561519748 57.0652561519748 57.0652561519748 1 0 1 1 [M+Cl]- 546.337 12 1.15842713911739 -0.37021154943484 0.773671371237868 M581T3802 M581.4T63.4 581.400024414062 581.400024414062 581.400024414062 63.3610927460551 63.3505188531029 63.3716666390073 2 1 1 1 [227][M]- 56 2.52973735325103 0.576665921738616 0.650928980842372 M581T3819 M581.4T63.6 581.400024414062 581.400024414062 581.400024414062 63.6432471003521 63.6432471003521 63.6432471003521 1 1 0 1 [228][M]- 2037 1.41545069735926 -0.248980162300187 0.828992217553588 M581T2932 M581.4T48.9 581.400024414062 581.400024414062 581.400024414062 48.869231412969 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590.100036621094 73.0278014904143 73.0278014904143 73.0278014904143 1 0 1 1 335 Inf 1 0.5 M590T3699 M590.1T61.7 590.100036621094 590.100036621094 590.100036621094 61.6551485102095 61.6551485102095 61.6551485102095 1 1 0 1 4415 5.71635158390032 -2.41669673417196 0.164553075277114 M590T2868 M590.1T47.8 590.100036621094 590.100036621094 590.100036621094 47.7953087148488 47.7953087148488 47.7953087148488 1 0 1 1 3890 1.95824543432695 0.435803649075168 0.717818062868488 M590T2521 M590.1T42 590.100036621094 590.100036621094 590.100036621094 42.0147571750629 42.0147571750629 42.0147571750629 1 0 1 1 5312 3.87771093285799 1.8080159349425 0.321371766837891 M590T3208 M590.2T53.5 590.200012207031 590.200012207031 590.200012207031 53.466731076027 53.4148789867355 53.5185831653184 2 0 2 1 128 1.32606405838563 0.293112644519006 0.797693877745911 M590T2859 M590.2T47.7 590.200012207031 590.200012207031 590.200012207031 47.6515384274183 47.6515384274183 47.6515384274183 1 1 0 1 4431 2.94755100260412 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M590.3T61.9 590.299987792969 590.299987792969 590.299987792969 61.8676130058105 61.8676130058105 61.8676130058105 1 0 1 1 1356 1.28332576944 -0.174146702910291 0.878624251979113 M590T2906 M590.4T48.4 590.400024414062 590.400024414062 590.400024414062 48.432924216893 48.432924216893 48.432924216893 1 1 0 1 97 4.06958585699501 -0.843237708652339 0.547825453583877 M590T4404_2 M590.4T73.4_2 590.400024414062 590.400024414062 590.400024414062 73.3919987736079 73.3919987736079 73.3919987736079 1 0 1 1 6276 1.6047736047736 0.478847175188816 0.680684816080924 M590T2653 M590.4T44.2 590.400024414062 590.400024414062 590.400024414062 44.2248896363786 44.2248896363786 44.2248896363786 1 1 0 1 5953 1.08225500357573 0.13568493075032 0.904934087816619 M590T4435 M590.4T73.9 590.400024414062 590.400024414062 590.400024414062 73.9136487736079 73.9136487736079 73.9136487736079 1 0 1 1 6370 Inf 1 0.5 M590T2908 M590.5T48.5 590.5 590.5 590.5 48.4736677693696 48.4736677693696 48.4736677693696 1 0 1 1 2857 24.4757667200573 1.27518471143932 0.42243824403262 M590T3929 M590.5T65.5 590.5 590.5 590.5 65.4750612301198 65.4750612301198 65.4750612301198 1 1 0 1 3792 Inf -1 0.5 M591T4164 M590.6T69.4 590.600036621094 590.600036621094 590.600036621094 69.4034212727652 69.4034212727652 69.4034212727652 1 0 1 1 6063 2.1515326189334 0.531622654608011 0.687044465132888 M591T4175 M590.6T69.6 590.600036621094 590.600036621094 590.600036621094 69.5815187118972 69.5815187118972 69.5815187118972 1 1 0 1 115 3.85301913643428 -1.01826773194544 0.462282189976327 M591T2683 M590.6T44.7 590.600036621094 590.600036621094 590.600036621094 44.7143203948156 44.7143203948156 44.7143203948156 1 1 0 1 804 13.9652367815861 -0.926022581235675 0.523178344045166 M591T2833 M590.6T47.2 590.600036621094 590.600036621094 590.600036621094 47.2089728234234 47.2089728234234 47.2089728234234 1 0 1 1 4783 Inf 1 0.5 M591T2575 M590.8T42.9 590.799987792969 590.799987792969 590.799987792969 42.915561518497 42.915561518497 42.915561518497 1 1 0 1 6231 Inf -1 0.5 M591T2930 M590.9T48.8 590.900024414062 590.900024414062 590.900024414062 48.8322136024858 48.8322136024858 48.8322136024858 1 1 0 1 [238][M]2- 80 2.45369157813358 -0.738587135883528 0.592804038204013 M591T3061 M591T51 591 591 591 51.0249832267383 51.0249832267383 51.0249832267383 1 0 1 1 2651 1.35646309874829 0.211522226478544 0.85357709026319 M591T2625 M591T43.7 591 591 591 43.7467126333421 43.7467126333421 43.7467126333421 1 0 1 1 2689 1.42401071108684 0.419680058878408 0.74602905629326 M591T4187 M591.1T69.8 591.100036621094 591.100036621094 591.100036621094 69.7866550079753 69.7866550079753 69.7866550079753 1 0 1 1 6209 Inf 1 0.5 M591T3460 M591.1T57.7 591.100036621094 591.100036621094 591.100036621094 57.6740977234594 57.6740977234594 57.6740977234594 1 1 0 1 1454 Inf -15.9161330416028 0.0399458875098386 M591T3830 M591.1T63.8 591.100036621094 591.100036621094 591.100036621094 63.8324324371973 63.8324324371973 63.8324324371973 1 0 1 1 3972 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9.12443919633886 0.0180780509347827 M591T2735 M591.3T45.6 591.299987792969 591.299987792969 591.299987792969 45.5807888980582 45.5807888980582 45.5807888980582 1 0 1 1 2615 Inf 1 0.5 M591T2773 M591.3T46.2 591.299987792969 591.299987792969 591.299987792969 46.2207671941959 46.2207671941959 46.2207671941959 1 0 1 1 4027 2.46178647346862 -0.762876052845494 0.539130806245384 M591T3687 M591.4T61.5 591.400024414062 591.400024414062 591.400024414062 61.4565833881522 61.4252776967789 61.4878890795254 2 1 1 1 703 3.37495117384936 -1.92057839504609 0.206655167416254 M591T3584 M591.4T59.7 591.400024414062 591.400024414062 591.400024414062 59.734167886616 59.734167886616 59.734167886616 1 0 1 1 1745 3.09048860908082 0.643574054754901 0.620306865982879 M591T4123 M591.4T68.7 591.400024414062 591.400024414062 591.400024414062 68.7233269940921 68.7233269940921 68.7233269940921 1 0 1 1 [239][M]- [M+Cl]- 556.43 22 1.40354198815953 -0.316247643038858 0.782051523118624 M591T3566 M591.4T59.4 591.400024414062 591.400024414062 591.400024414062 59.4298534028825 59.4298534028825 59.4298534028825 1 1 0 1 1801 Inf -1 0.5 M591T3158 M591.4T52.6 591.400024414062 591.400024414062 591.400024414062 52.6315007538194 52.6315007538194 52.6315007538194 1 1 0 1 6122 5.58793196293838 -1.8223961868027 0.265290844332554 M591T2842 M591.4T47.4 591.400024414062 591.400024414062 591.400024414062 47.3640018842799 47.3640018842799 47.3640018842799 1 0 1 1 118 5.17237741580544 1.55783487178529 0.317540630260363 M591T4427 M591.4T73.8 591.400024414062 591.400024414062 591.400024414062 73.7832321069413 73.7832321069413 73.7832321069413 1 0 1 1 6321 5.24537037037037 0.795036733073256 0.564954184757449 M591T2932 M591.4T48.9 591.400024414062 591.400024414062 591.400024414062 48.861713212183 48.861713212183 48.861713212183 1 0 1 1 [238][M+1]2- 3697 Inf 1 0.5 M592T3654 M591.5T60.9 591.5 591.5 591.5 60.8970888498241 60.8970888498241 60.8970888498241 1 0 1 1 2533 Inf 1 0.5 M592T2939 M591.5T49 591.5 591.5 591.5 48.9779381065663 48.9779381065663 48.9779381065663 1 0 1 1 2882 3.05305515897178 0.639052680747528 0.622137565046447 M592T4173 M591.5T69.6 591.5 591.5 591.5 69.5552827720591 69.5552827720591 69.5552827720591 1 1 0 1 [M+Cl]- 556.525 115 1.45476492267477 -0.300877219980834 0.808501125508772 M592T3351 M591.6T55.9 591.600036621094 591.600036621094 591.600036621094 55.8500317012254 55.8500317012254 55.8500317012254 1 1 0 1 9 Inf -1 0.5 M592T2551 M591.8T42.5 591.799987792969 591.799987792969 591.799987792969 42.5103238417295 42.5103238417295 42.5103238417295 1 0 1 1 5474 Inf 1 0.5 M592T2575 M591.9T42.9 591.900024414062 591.900024414062 591.900024414062 42.9155151144341 42.9155151144341 42.9155151144341 1 0 1 1 260 Inf 1 0.5 M592T2581 M592T43 592 592 592 43.0198484477674 43.0198484477674 43.0198484477674 1 0 1 1 6174 Inf 2.43564356435644 0.248017093864556 M592T3161 M592T52.7 592 592 592 52.6814838170728 52.6814838170728 52.6814838170728 1 0 1 1 951 1.07307261869019 -0.0711939149899641 0.953885252892184 M592T3429 M592T57.1 592 592 592 57.145515263389 57.145515263389 57.145515263389 1 1 0 1 [240][M]- 119 Inf -1 0.5 M592T3101 M592T51.7 592 592 592 51.6781116991129 51.6781116991129 51.6781116991129 1 0 1 1 5632 Inf 1 0.5 M592T2960 M592T49.3 592 592 592 49.3398953600926 49.3398953600926 49.3398953600926 1 1 0 1 3420 4.88253431466845 -0.779017140611253 0.570343156234938 M592T2526 M592T42.1 592 592 592 42.107011518497 42.107011518497 42.107011518497 1 1 0 1 6106 6.16336996336996 -1.25186957056365 0.411160504783987 M592T3107 M592.1T51.8 592.100036621094 592.100036621094 592.100036621094 51.7862561179622 51.7481154113833 51.824396824541 2 1 1 1 [241][M]- [M-2H+Na]- 571.112 66 1.0517457629306 0.0479681317194176 0.967298141482066 M592T3052 M592.1T50.9 592.100036621094 592.100036621094 592.100036621094 50.8741337124082 50.8259664450979 50.9223009797186 2 1 1 1 [M-2H+Na]- 571.112 79 1.16666764702095 0.117591464120218 0.917882231603401 M592T3711 M592.1T61.8 592.100036621094 592.100036621094 592.100036621094 61.8424812446927 61.8424812446927 61.8424812446927 1 0 1 1 1357 2.47017686858117 0.551678639568392 0.65996289872455 M592T3747 M592.1T62.5 592.100036621094 592.100036621094 592.100036621094 62.4512356132834 62.4512356132834 62.4512356132834 1 1 0 1 1231 Inf -1 0.5 M592T3678 M592.1T61.3 592.100036621094 592.100036621094 592.100036621094 61.3013355432558 61.3013355432558 61.3013355432558 1 1 0 1 3914 Inf -1 0.5 M592T3791 M592.2T63.2 592.200012207031 592.200012207031 592.200012207031 63.1754540442579 63.1754540442579 63.1754540442579 1 1 0 1 5243 4.95779825434485 -3.12173692979011 0.0958353502925529 M592T2986 M592.2T49.8 592.200012207031 592.200012207031 592.200012207031 49.7656928078375 49.7656928078375 49.7656928078375 1 0 1 1 5351 4.77679929973384 0.897148979351408 0.534329341875368 M592T3667 M592.2T61.1 592.200012207031 592.200012207031 592.200012207031 61.121046822658 61.121046822658 61.121046822658 1 1 0 1 [M+Cl+NaCOOH]- 489.235 [M+HCOO]- 547.206 2 2.67487580496442 0.945278291318697 0.465393687980017 M592T4208 M592.3T70.1 592.299987792969 592.299987792969 592.299987792969 70.13299637053 70.13299637053 70.13299637053 1 0 1 1 142 4.09873846721972 3.22588094930527 0.157659574716273 M592T2997 M592.3T50 592.299987792969 592.299987792969 592.299987792969 49.9537307945146 49.9537307945146 49.9537307945146 1 0 1 1 [237][M+2]- 32 1.96351449614117 0.523544322406977 0.669394819362251 M592T3130 M592.3T52.2 592.299987792969 592.299987792969 592.299987792969 52.1614336246655 52.1614336246655 52.1614336246655 1 1 0 1 5212 2.69183155135116 -0.589164518711855 0.643149014656194 M592T3406 M592.4T56.8 592.400024414062 592.400024414062 592.400024414062 56.7599394016114 56.7599394016114 56.7599394016114 1 0 1 1 2929 Inf 1 0.5 M592T4127 M592.4T68.8 592.400024414062 592.400024414062 592.400024414062 68.7757136809182 68.7757136809182 68.7757136809182 1 0 1 1 [239][M+1]- 22 1.09368302490103 -0.0895666415763989 0.937407391763595 M592T4278 M592.4T71.3 592.400024414062 592.400024414062 592.400024414062 71.3063514904143 71.3063514904143 71.3063514904143 1 0 1 1 6272 Inf 1 0.5 M592T2962 M592.4T49.4 592.400024414062 592.400024414062 592.400024414062 49.3667054784032 49.3667054784032 49.3667054784032 1 1 0 1 3421 Inf -1 0.5 M592T3491 M592.5T58.2 592.5 592.5 592.5 58.186136302575 58.186136302575 58.186136302575 1 0 1 1 1964 2.56709973413548 -0.58824798252206 0.650607941536193 M592T2787 M592.5T46.5 592.5 592.5 592.5 46.4569934438328 46.4569934438328 46.4569934438328 1 0 1 1 1074 Inf 1 0.5 M592T3309 M592.5T55.1 592.5 592.5 592.5 55.1450245162751 55.1450245162751 55.1450245162751 1 0 1 1 629 4.88705205678335 0.779231612061514 0.570270422529235 M592T2748 M592.5T45.8 592.5 592.5 592.5 45.79694241003 45.79694241003 45.79694241003 1 1 0 1 114 Inf -1 0.5 M592T2719 M592.5T45.3 592.5 592.5 592.5 45.3205679976129 45.3205679976129 45.3205679976129 1 0 1 1 2537 Inf 13.3775300000758 0.0475003938944454 M592T3913 M592.5T65.2 592.5 592.5 592.5 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