Mercurial > repos > lecorguille > camera_annotate
view test-data/faahKO.xset.group.retcor.group.fillPeaks.annotate.rules.variableMetadata.tsv @ 25:230f0bc9e792 draft
planemo upload commit a634879c0e651eb0eb7b435a107ee40cf30524fa
| author | lecorguille |
|---|---|
| date | Fri, 10 Feb 2017 11:11:27 -0500 |
| parents | |
| children | 591d26b9027e |
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name namecustom mz mzmin mzmax rt rtmin rtmax npeaks KO WT isotopes adduct pcgroup fold tstat pvalue M200T2874 M200.1T2873.7 200.100006103516 200.100006103516 200.100006103516 2873.66790279219 2873.66790279219 2873.66790279219 1 1 0 4758 4.65085295060662 -1.06493655910147 0.479605513245819 M200T3877 M200.2T3876.7 200.199996948242 200.199996948242 200.199996948242 3876.72559155354 3876.72559155354 3876.72559155354 1 1 0 2728 9.88436970273782 -2.25887629759232 0.240554009337641 M200T3676 M200.2T3676.2 200.199996948242 200.199996948242 200.199996948242 3676.20857473389 3676.20857473389 3676.20857473389 1 0 1 3702 Inf 4.64698353395969 0.13493854409364 M200T3486 M200.2T3485.7 200.199996948242 200.199996948242 200.199996948242 3485.71318236608 3485.71318236608 3485.71318236608 1 1 0 1771 Inf -1 0.5 M200T3529 M200.2T3529.2 200.199996948242 200.199996948242 200.199996948242 3529.16673849327 3529.16673849327 3529.16673849327 1 0 1 370 Inf 1 0.5 M200T3184 M200.2T3184.4 200.199996948242 200.199996948242 200.199996948242 3184.44736675265 3184.44736675265 3184.44736675265 1 1 0 40 Inf -1 0.5 M200T3817 M200.3T3816.6 200.300003051758 200.300003051758 200.300003051758 3816.57302395962 3816.57302395962 3816.57302395962 1 0 1 2375 Inf 1 0.5 M200T3978 M200.3T3977.6 200.300003051758 200.300003051758 200.300003051758 3977.60008277685 3977.60008277685 3977.60008277685 1 0 1 1981 Inf 1 0.5 M201T3544 M200.8T3543.6 200.800003051758 200.800003051758 200.800003051758 3543.60312635477 3543.60312635477 3543.60312635477 1 1 0 2331 Inf -1 0.5 M201T4063 M200.8T4062.6 200.800003051758 200.800003051758 200.800003051758 4062.56884383761 4062.56884383761 4062.56884383761 1 0 1 213 Inf 1.37734161966442 0.399789013602801 M201T3783 M200.8T3783.3 200.800003051758 200.800003051758 200.800003051758 3783.31394298599 3783.31394298599 3783.31394298599 1 0 1 3662 Inf 1 0.5 M201T3274 M200.9T3273.9 200.900009155273 200.900009155273 200.900009155273 3273.93376916172 3273.93376916172 3273.93376916172 1 0 1 5027 4.70644940219791 2.59368058676224 0.122082365514126 M201T2556 M200.9T2555.9 200.900009155273 200.900009155273 200.900009155273 2555.90497459635 2555.90497459635 2555.90497459635 1 1 0 3065 Inf -1 0.5 M201T3626 M200.9T3625.9 200.900009155273 200.900009155273 200.900009155273 3625.94998801881 3625.94998801881 3625.94998801881 1 0 1 1600 3.34419119144363 1.11702356726728 0.408252476299869 M201T3138 M201.1T3138.4 201.100006103516 201.100006103516 201.100006103516 3138.35441665664 3138.35441665664 3138.35441665664 1 1 0 67 3.24641816551149 -0.824914731473309 0.555087522533288 M201T3509 M201.2T3509.4 201.199996948242 201.199996948242 201.199996948242 3509.36563736658 3509.36563736658 3509.36563736658 1 1 0 4513 Inf -1.43344416094946 0.387782408900977 M201T4066 M201.2T4065.7 201.199996948242 201.199996948242 201.199996948242 4065.72082744082 4065.72082744082 4065.72082744082 1 0 1 3859 3.13885706983073 0.938510278186573 0.508748560086896 M201T3687 M201.2T3687.2 201.199996948242 201.199996948242 201.199996948242 3687.18932031058 3687.18932031058 3687.18932031058 1 0 1 573 Inf 1 0.5 M201T3998 M201.2T3997.9 201.199996948242 201.199996948242 201.199996948242 3997.93594451384 3997.93594451384 3997.93594451384 1 0 1 6148 Inf 1 0.5 M201T3799 M201.2T3798.7 201.199996948242 201.199996948242 201.199996948242 3798.65479588899 3798.65479588899 3798.65479588899 1 0 1 2829 Inf 1.48072712698114 0.378143149183639 M201T3936 M201.3T3936.4 201.300003051758 201.300003051758 201.300003051758 3936.43507866832 3936.43507866832 3936.43507866832 1 0 1 4130 Inf 1 0.5 M201T4037 M201.3T4036.9 201.300003051758 201.300003051758 201.300003051758 4036.91062955396 4036.91062955396 4036.91062955396 1 0 1 3747 Inf 1 0.5 M201T4155 M201.3T4155.1 201.300003051758 201.300003051758 201.300003051758 4155.07274902879 4155.07274902879 4155.07274902879 1 1 0 306 Inf -1 0.5 M201T3883 M201.3T3882.6 201.300003051758 201.300003051758 201.300003051758 3882.59075902174 3882.59075902174 3882.59075902174 1 1 0 2221 2.04791935898759 -0.459809553421658 0.705094466870333 M202T3855 M201.7T3854.6 201.699996948242 201.699996948242 201.699996948242 3854.64092716079 3854.64092716079 3854.64092716079 1 1 0 1344 Inf -1 0.5 M202T4020 M201.7T4020 201.699996948242 201.699996948242 201.699996948242 4020.00883866426 4020.00883866426 4020.00883866426 1 0 1 5565 Inf 1 0.5 M202T3301 M201.8T3300.5 201.800003051758 201.800003051758 201.800003051758 3300.52179370591 3300.52179370591 3300.52179370591 1 1 0 167 13.5888040248194 -0.92391166847019 0.523834925787676 M202T4069 M201.8T4068.9 201.800003051758 201.800003051758 201.800003051758 4068.87273440628 4068.87273440628 4068.87273440628 1 0 1 3855 1.46317572696137 0.26134843148585 0.82108177639863 M202T3280 M201.8T3280.2 201.800003051758 201.800003051758 201.800003051758 3280.17819851714 3280.17819851714 3280.17819851714 1 1 0 1230 Inf -1 0.5 M202T3321 M201.8T3321 201.800003051758 201.800003051758 201.800003051758 3321.03357088832 3321.03357088832 3321.03357088832 1 1 0 1132 1.25259058097557 -0.185992042105706 0.876608140813492 M202T3171 M201.8T3170.8 201.800003051758 201.800003051758 201.800003051758 3170.77113798805 3170.77113798805 3170.77113798805 1 1 0 763 Inf -1 0.5 M202T3763 M201.8T3762.7 201.800003051758 201.800003051758 201.800003051758 3762.71208577947 3762.71208577947 3762.71208577947 1 0 1 961 Inf 1 0.5 M202T3377 M201.8T3377.2 201.800003051758 201.800003051758 201.800003051758 3377.15027106342 3377.15027106342 3377.15027106342 1 1 0 1546 Inf -1 0.5 M202T3269 M201.9T3268.7 201.900009155273 201.900009155273 201.900009155273 3268.73756782075 3268.73756782075 3268.73756782075 1 1 0 174 1.53676472088363 -0.358025207792609 0.766129884635396 M202T4141 M201.9T4140.9 201.900009155273 201.900009155273 201.900009155273 4140.86019981259 4140.86019981259 4140.86019981259 1 0 1 4203 Inf 1 0.5 M202T4033 M201.9T4032.8 201.900009155273 201.900009155273 201.900009155273 4032.77705353875 4032.77705353875 4032.77705353875 1 1 0 3746 Inf -1 0.5 M202T3895 M201.9T3895.1 201.900009155273 201.900009155273 201.900009155273 3895.08082356457 3895.08082356457 3895.08082356457 1 1 0 4896 2.84133481906798 0.636484929754717 0.633176678956428 M202T4009 M201.9T4009.2 201.900009155273 201.900009155273 201.900009155273 4009.23164498528 4009.23164498528 4009.23164498528 1 1 0 156 2.24382694320368 -2.73087599684927 0.137483064002696 M202T3186 M201.9T3186 201.900009155273 201.900009155273 201.900009155273 3185.96106903426 3185.96106903426 3185.96106903426 1 1 0 2171 3.62084240983456 -1.55407536847793 0.363343995270055 M202T2900 M202T2899.5 202 202 202 2899.5217296201 2899.5217296201 2899.5217296201 1 1 0 134 1.73152422522956 -0.537204796867237 0.665257423543135 M202T3943 M202T3942.7 202 202 202 3942.74331488216 3942.74331488216 3942.74331488216 1 0 1 4131 Inf 1.1980495978909 0.442793490643806 M202T3292 M202.2T3292.2 202.199996948242 202.199996948242 202.199996948242 3292.19880652399 3292.19880652399 3292.19880652399 1 0 1 5759 Inf 1 0.5 M203T4038 M202.6T4038.5 202.600006103516 202.600006103516 202.600006103516 4038.4655434023 4038.4655434023 4038.4655434023 1 0 1 3748 Inf 1 0.5 M203T3317 M202.8T3316.9 202.800003051758 202.800003051758 202.800003051758 3316.91873178114 3316.91873178114 3316.91873178114 1 0 1 507 Inf 1 0.5 M203T3306 M202.9T3305.5 202.900009155273 202.900009155273 202.900009155273 3305.52376972413 3305.52376972413 3305.52376972413 1 1 0 508 1.03778074236681 -0.032154685344475 0.977776058856616 M203T3979 M203.1T3979 203.100006103516 203.100006103516 203.100006103516 3979.01348020174 3979.01348020174 3979.01348020174 1 0 1 1993 9.71961583971001 6.52827967863367 0.0235124247191347 M203T4141 M203.2T4141 203.199996948242 203.199996948242 203.199996948242 4140.97627071899 4140.97627071899 4140.97627071899 1 1 0 4204 1.2499976998744 -0.174809586600477 0.881153001596062 M203T3348 M203.2T3348 203.199996948242 203.199996948242 203.199996948242 3348.00505081695 3348.00505081695 3348.00505081695 1 1 0 711 Inf -1 0.5 M203T3327 M203.2T3327.3 203.199996948242 203.199996948242 203.199996948242 3327.335343408 3327.335343408 3327.335343408 1 1 0 1087 Inf -1 0.5 M203T2679 M203.2T2679.2 203.199996948242 203.199996948242 203.199996948242 2679.22789039989 2679.22789039989 2679.22789039989 1 0 1 634 Inf 1 0.5 M203T4179 M203.2T4178.6 203.199996948242 203.199996948242 203.199996948242 4178.55504603756 4178.55504603756 4178.55504603756 1 1 0 4368 1.415320914057 -0.335656021811829 0.771687910901774 M203T3790 M203.2T3790.1 203.199996948242 203.199996948242 203.199996948242 3790.12256982157 3790.12256982157 3790.12256982157 1 1 0 4447 2.29932093157436 -0.558265157254593 0.672304378739983 M203T3722 M203.2T3722.2 203.199996948242 203.199996948242 203.199996948242 3722.22952980018 3722.22952980018 3722.22952980018 1 0 1 3436 5.23068451146893 0.794432612788945 0.565155849056796 M203T4057 M203.3T4057.1 203.300003051758 203.300003051758 203.300003051758 4057.10753443178 4057.10753443178 4057.10753443178 1 0 1 3412 Inf 3.31575077420165 0.186475877877931 M204T3523 M203.7T3522.9 203.699996948242 203.699996948242 203.699996948242 3522.90390220282 3522.90390220282 3522.90390220282 1 0 1 371 8.73218486430434 0.87973126386575 0.537629734229058 M204T3061 M203.8T3060.6 203.800003051758 203.800003051758 203.800003051758 3060.62586790248 3060.62586790248 3060.62586790248 1 1 0 5409 Inf -1 0.5 M204T4128 M203.8T4128.5 203.800003051758 203.800003051758 203.800003051758 4128.45105340014 4128.45105340014 4128.45105340014 1 0 1 1467 Inf 1 0.5 M204T3665 M203.8T3665.2 203.800003051758 203.800003051758 203.800003051758 3665.18514988493 3665.18514988493 3665.18514988493 1 1 0 2 7.48272760158893 -0.858724443986089 0.544263989641279 M204T4023 M203.8T4022.7 203.800003051758 203.800003051758 203.800003051758 4022.69254440607 4022.69254440607 4022.69254440607 1 1 0 5566 23.4654904639264 -6.93353499393902 0.0640823253919369 M204T4142 M204.1T4142.4 204.100006103516 204.100006103516 204.100006103516 4142.41184997807 4142.41184997807 4142.41184997807 1 0 1 4205 Inf 1 0.5 M204T3843 M204.1T3843.4 204.100006103516 204.100006103516 204.100006103516 3843.40060985387 3843.40060985387 3843.40060985387 1 0 1 1340 7.88017323323348 6.84366377329211 0.0889973897429159 M204T3397 M204.2T3397.1 204.199996948242 204.199996948242 204.199996948242 3397.12897169193 3397.12897169193 3397.12897169193 1 0 1 462 2.02165803029348 0.95811911482028 0.440173452979033 M204T2627 M204.2T2627.4 204.199996948242 204.199996948242 204.199996948242 2627.41465477536 2627.41465477536 2627.41465477536 1 0 1 2635 Inf 1 0.5 M204T4075 M204.3T4075.1 204.300003051758 204.300003051758 204.300003051758 4075.14194222414 4075.14194222414 4075.14194222414 1 1 0 3860 Inf -1 0.5 M204T3703 M204.4T3703.4 204.400009155273 204.400009155273 204.400009155273 3703.4400873308 3703.4400873308 3703.4400873308 1 0 1 1155 Inf 1 0.5 M204T3597 M204.4T3596.6 204.400009155273 204.400009155273 204.400009155273 3596.57532421235 3596.57532421235 3596.57532421235 1 0 1 1442 2.54947426868428 0.565794831692731 0.653524769062731 M205T3574 M204.8T3573.8 204.800003051758 204.800003051758 204.800003051758 3573.79058978757 3573.79058978757 3573.79058978757 1 0 1 1632 1.4442322975046 0.252886563844664 0.826520681809837 M205T2586 M204.9T2585.8 204.900009155273 204.900009155273 204.900009155273 2585.785668269 2585.785668269 2585.785668269 1 0 1 2881 Inf 1.66292572942941 0.344673192712893 M205T2787 M205T2787.2 205 205 205 2787.1832988222 2786.52273155776 2788.26358572648 4 2 2 [1][M]- [M-H-C2H4O2]- 266.03 12 1.0223702236974 0.157452084347424 0.896788425078068 M205T4040 M205.1T4040.1 205.100006103516 205.100006103516 205.100006103516 4040.11823531387 4040.11823531387 4040.11823531387 1 1 0 5301 Inf -1 0.5 M205T3782 M205.2T3782.1 205.199996948242 205.199996948242 205.199996948242 3782.07132490513 3779.2435506004 3784.89909920985 2 1 1 88 1.86478873239429 0.408691193604645 0.732645389900879 M205T3917 M205.2T3916.9 205.199996948242 205.199996948242 205.199996948242 3916.86998621818 3916.86998621818 3916.86998621818 1 1 0 152 2.83616865401008 -0.636687657728382 0.633502586129698 M205T3761 M205.2T3761.1 205.199996948242 205.199996948242 205.199996948242 3761.12812544188 3761.12812544188 3761.12812544188 1 0 1 962 Inf 1 0.5 M205T4064 M205.3T4064.1 205.300003051758 205.300003051758 205.300003051758 4064.14484612887 4064.14484612887 4064.14484612887 1 0 1 5794 Inf 1 0.5 M206T4080 M205.7T4079.9 205.699996948242 205.699996948242 205.699996948242 4079.903008509 4079.903008509 4079.903008509 1 0 1 5738 1.37841110501869 0.222209994168581 0.846514988262997 M206T3292 M205.8T3292.2 205.800003051758 205.800003051758 205.800003051758 3292.19880652399 3292.19880652399 3292.19880652399 1 0 1 5759 Inf 1 0.5 M206T3088 M205.8T3088 205.800003051758 205.800003051758 205.800003051758 3088.00869079994 3088.00869079994 3088.00869079994 1 0 1 240 Inf 1 0.5 M206T3350 M205.8T3349.8 205.800003051758 205.800003051758 205.800003051758 3349.84145386457 3349.84145386457 3349.84145386457 1 0 1 712 2.83424319152252 0.610298757695971 0.634062659833529 M206T4105 M205.9T4104.8 205.900009155273 205.900009155273 205.900009155273 4104.75744700432 4104.75744700432 4104.75744700432 1 1 0 192 2.49130786297468 -2.15303537128598 0.167244437136309 M206T3192 M205.9T3192 205.900009155273 205.900009155273 205.900009155273 3192.00991294654 3192.00991294654 3192.00991294654 1 1 0 30 26.7932681792303 -1.3106329182731 0.414093131620397 M206T2786 M206T2785.9 206 206 206 2785.86223081059 2785.35626528247 2788.02229392021 3 1 2 [1][M+1]- 12 1.00397427342738 -0.0276152895704231 0.982235073188668 M206T3444 M206T3443.7 206 206 206 3443.74800097262 3443.74800097262 3443.74800097262 1 0 1 2917 1.04241136928022 0.0799085845411304 0.947652824105108 M206T3696 M206.2T3695.6 206.199996948242 206.199996948242 206.199996948242 3695.58742335368 3695.58742335368 3695.58742335368 1 0 1 574 2.59200291743637 0.573030835257941 0.650274697359007 M206T4049 M206.2T4049.3 206.199996948242 206.199996948242 206.199996948242 4049.3439287225 4049.3439287225 4049.3439287225 1 0 1 3413 2.88323023029242 0.617103812315955 0.631195563458578 M206T2541 M206.2T2541.3 206.199996948242 206.199996948242 206.199996948242 2541.25208488001 2541.25208488001 2541.25208488001 1 0 1 5545 Inf 1 0.5 M206T3670 M206.2T3670.4 206.199996948242 206.199996948242 206.199996948242 3670.38411120383 3670.38411120383 3670.38411120383 1 0 1 438 3.74088881784459 1.12509597440392 0.418165102767509 M206T3238 M206.2T3238.4 206.199996948242 206.199996948242 206.199996948242 3238.36000103379 3238.36000103379 3238.36000103379 1 1 0 2704 3.10420348065755 -0.645203853190995 0.61964985805708 M206T3763 M206.2T3762.8 206.199996948242 206.199996948242 206.199996948242 3762.78203929079 3762.78203929079 3762.78203929079 1 0 1 13 2.29687950341419 0.564192666175311 0.672752352086679 M206T3428 M206.2T3428.1 206.199996948242 206.199996948242 206.199996948242 3428.10491080308 3428.10491080308 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3903.31811241095 3903.31811241095 1 0 1 4816 7.26910614891922 0.854384742469125 0.545643745508709 M297T3919 M296.9T3919.5 296.899993896484 296.899993896484 296.899993896484 3919.48040493361 3919.48040493361 3919.48040493361 1 1 0 2986 1.24861117665281 -0.155411435312373 0.891364343636558 M297T3385 M296.9T3384.8 296.899993896484 296.899993896484 296.899993896484 3384.81151443101 3384.81151443101 3384.81151443101 1 0 1 1551 2.14322908313692 0.988509292060595 0.448133122687799 M297T3813 M297T3812.6 297 297 297 3812.60482106373 3812.60482106373 3812.60482106373 1 1 0 2372 3.58968334919666 -0.860944761005056 0.546206293033093 M297T4180 M297T4180.3 297 297 297 4180.27602614419 4180.27602614419 4180.27602614419 1 1 0 5998 Inf -5.39943092927698 0.11658398001955 M297T2928 M297.2T2928.4 297.200012207031 297.200012207031 297.200012207031 2928.43329428729 2928.43329428729 2928.43329428729 1 0 1 3623 2.71953262922129 0.911914912429988 0.47344103834776 M297T3295 M297.2T3295.3 297.200012207031 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297.300018310547 297.300018310547 3389.42833570345 3389.42833570345 3389.42833570345 1 0 1 474 Inf 1.33506725767464 0.409268473725744 M298T3994 M297.9T3993.5 297.899993896484 297.899993896484 297.899993896484 3993.53112537303 3993.53112537303 3993.53112537303 1 1 0 4491 2.3228974941715 -0.523090659193013 0.673402762961895 M298T3021 M298T3021 298 298 298 3021.0020555035 3017.80278627848 3024.20132472852 2 0 2 2117 3.39617582048459 1.62240129868555 0.247030435255013 M298T3277 M298T3276.7 298 298 298 3276.71860604923 3276.71860604923 3276.71860604923 1 1 0 1237 1.35155392761763 0.209099140190732 0.855184700859225 M298T4132 M298T4131.9 298 298 298 4131.9151853691 4131.9151853691 4131.9151853691 1 0 1 1480 6.94844828564894 0.847352718349283 0.547887229142771 M298T4206 M298T4206.1 298 298 298 4206.08869342051 4206.08869342051 4206.08869342051 1 0 1 4924 Inf 1 0.5 M298T2983 M298T2983 298 298 298 2982.95337277204 2982.95337277204 2982.95337277204 1 1 0 124 7.61162873442281 -2.8552338105224 0.1494800831467 M298T3512 M298.2T3511.9 298.200012207031 298.200012207031 298.200012207031 3511.8571588571 3511.8571588571 3511.8571588571 1 1 0 119 3.30552507091674 -0.894504146712733 0.533806282479122 M298T2744 M298.2T2744.3 298.200012207031 298.200012207031 298.200012207031 2744.27300671808 2744.27300671808 2744.27300671808 1 1 0 122 6.09004895298932 -34.749613478431 0.00583552704496593 M298T3175 M298.2T3175.5 298.200012207031 298.200012207031 298.200012207031 3175.46440827929 3175.46440827929 3175.46440827929 1 1 0 753 9.33115320076215 -1.39132991012503 0.39635735563726 M298T2604 M298.2T2603.9 298.200012207031 298.200012207031 298.200012207031 2603.85008488001 2603.85008488001 2603.85008488001 1 0 1 5240 1.60480887792844 0.370999609942514 0.770903992530557 M298T3622 M298.3T3622.2 298.300018310547 298.300018310547 298.300018310547 3622.2021883723 3622.2021883723 3622.2021883723 1 0 1 1599 Inf 1 0.5 M298T3647 M298.3T3646.6 298.300018310547 298.300018310547 298.300018310547 3646.62435416761 3646.62435416761 3646.62435416761 1 0 1 1533 Inf 1 0.5 M298T3043 M298.3T3042.9 298.300018310547 298.300018310547 298.300018310547 3042.93368221238 3042.93368221238 3042.93368221238 1 0 1 71 Inf 1 0.5 M298T3883 M298.4T3882.8 298.399993896484 298.399993896484 298.399993896484 3882.79242763934 3878.30569854749 3887.27915673119 2 2 0 2230 Inf -4.40720560868088 0.142044667121737 M298T3943 M298.4T3943.1 298.399993896484 298.399993896484 298.399993896484 3943.08690078556 3943.08690078556 3943.08690078556 1 0 1 4139 Inf 1 0.5 M298T3596 M298.4T3596.5 298.399993896484 298.399993896484 298.399993896484 3596.47394795055 3596.47394795055 3596.47394795055 1 1 0 22 Inf -7.00155242329752 0.0903147088294227 M299T3320 M299T3320 299 299 299 3320.00602941677 3320.00602941677 3320.00602941677 1 0 1 1131 5.84141890061316 2.19962770502936 0.200977325270815 M299T4118 M299T4117.7 299 299 299 4117.72633782937 4117.72633782937 4117.72633782937 1 0 1 120 3.87678398291709 0.718534932199822 0.591580070862955 M299T3060 M299T3059.7 299 299 299 3059.67590615795 3059.67590615795 3059.67590615795 1 1 0 233 1.9054932010504 -0.72143255536783 0.597353368370946 M299T4175 M299T4175.4 299 299 299 4175.42447820211 4175.42447820211 4175.42447820211 1 1 0 4382 Inf -1 0.5 M299T3547 M299T3546.8 299 299 299 3546.81471883707 3546.81471883707 3546.81471883707 1 1 0 2321 1.10715169403335 -0.145466605487254 0.908037775555588 M299T4121 M299.2T4120.7 299.200012207031 299.200012207031 299.200012207031 4120.69463726928 4120.69463726928 4120.69463726928 1 0 1 1712 2.32133808599949 1.38889443108716 0.359372376256081 M299T2612 M299.2T2612.2 299.200012207031 299.200012207031 299.200012207031 2612.24297459635 2612.24297459635 2612.24297459635 1 1 0 4007 Inf -2.77905553302313 0.219894225866298 M299T3278 M299.3T3278.3 299.300018310547 299.300018310547 299.300018310547 3278.31156790231 3278.31156790231 3278.31156790231 1 1 0 1238 4.55681474419895 -0.762405979302982 0.57602784644064 M299T3194 M299.3T3194.2 299.300018310547 299.300018310547 299.300018310547 3194.238941608 3194.238941608 3194.238941608 1 1 0 1751 Inf -1 0.5 M300T3110 M300T3110 300 300 300 3109.96698907338 3109.96698907338 3109.96698907338 1 1 0 5342 Inf -1.44000128083956 0.386420083221264 M300T3859 M300T3859 300 300 300 3859.00945274977 3859.00945274977 3859.00945274977 1 1 0 [M+Cl]- 265.028 [M-H-CH3]- 316.029 [M-H-CH4S]- 349.007 21 7.10691127701557 -0.850909700738422 0.546751182314329 M300T3624 M300.1T3624.4 300.100006103516 300.100006103516 300.100006103516 3624.36853107567 3624.36853107567 3624.36853107567 1 1 0 1607 8.65122777353988 -1.10663996009488 0.466883381564224 M300T3366 M300.1T3366.4 300.100006103516 300.100006103516 300.100006103516 3366.36283339876 3366.36283339876 3366.36283339876 1 1 0 4652 6.19385521858154 -0.838532445438076 0.555758207462199 M300T3385 M300.2T3384.9 300.200012207031 300.200012207031 300.200012207031 3384.92104541292 3381.76815667381 3385.10279838529 3 2 1 [18][M]- 25 13.3918438132368 -15.0441464690194 0.0401257788180613 M300T3641 M300.2T3641.2 300.200012207031 300.200012207031 300.200012207031 3641.16551997803 3641.16551997803 3641.16551997803 1 1 0 59 4.03911841311303 -0.86950950193641 0.534796816707644 M300T4109 M300.3T4109.5 300.300018310547 300.300018310547 300.300018310547 4109.47606512796 4109.47606512796 4109.47606512796 1 1 0 [M-H-CH2O]- 331.313 43 11.5034637527169 -0.909639111664056 0.5282772373473 M300T3286 M300.3T3286.3 300.300018310547 300.300018310547 300.300018310547 3286.26441641646 3286.26441641646 3286.26441641646 1 1 0 [M-H]- 301.309 3790 3.37545377582235 -0.911375485998146 0.496437553551504 M300T4211 M300.3T4210.8 300.300018310547 300.300018310547 300.300018310547 4210.82391431008 4210.82391431008 4210.82391431008 1 0 1 4925 Inf 1 0.5 M300T3973 M300.4T3973.1 300.399993896484 300.399993896484 300.399993896484 3973.11882638474 3973.11882638474 3973.11882638474 1 1 0 1986 3.48382039752625 -0.685286243583767 0.603958366221947 M301T3897 M300.9T3897 300.899993896484 300.899993896484 300.899993896484 3897.01113119397 3897.01113119397 3897.01113119397 1 0 1 5752 Inf 1 0.5 M301T3937 M300.9T3936.9 300.899993896484 300.899993896484 300.899993896484 3936.93935391593 3936.93935391593 3936.93935391593 1 1 0 4140 Inf -1 0.5 M301T2928 M300.9T2928 300.899993896484 300.899993896484 300.899993896484 2928.01486524893 2928.01486524893 2928.01486524893 1 0 1 3624 Inf 1 0.5 M301T4014 M300.9T4013.7 300.899993896484 300.899993896484 300.899993896484 4013.70230738777 4013.70230738777 4013.70230738777 1 0 1 5210 Inf 2.22864023956923 0.268510767526041 M301T3826 M300.9T3826.4 300.899993896484 300.899993896484 300.899993896484 3826.36034427007 3826.36034427007 3826.36034427007 1 1 0 1876 Inf -1 0.5 M301T2789 M301T2788.8 301 301 301 2788.76143428253 2788.02229392021 2789.81633161917 4 2 2 [19][M]- [M+Cl]- 266.03 [M-H-C5H8O4]- 434.037 12 1.02634540183423 0.0772096187985598 0.945716019895364 M301T3827 M301T3826.5 301 301 301 3826.54912932977 3825.465696348 3827.63256231154 2 1 1 1864 1.09604593526728 0.0888893934251581 0.940678745287129 M301T2750 M301T2750.1 301 301 301 2750.10281893936 2749.63873747848 2750.56690040024 2 2 0 114 1.27197610995798 -0.979426818589091 0.435038027056205 M301T3849 M301T3849.5 301 301 301 3849.49584920062 3849.49584920062 3849.49584920062 1 1 0 [M-H-CH2]- 316.029 [M-H-NaOH]- 342.003 21 1.32148231131964 0.193991127897397 0.865260440197858 M301T4010 M301T4010 301 301 301 4010.00314323252 4010.00314323252 4010.00314323252 1 1 0 5211 1.72668954547907 -0.420536396197503 0.746404131236986 M301T3371 M301.1T3371.2 301.100006103516 301.100006103516 301.100006103516 3371.23646653199 3371.23646653199 3371.23646653199 1 1 0 [20][M]- 25 6.33410807777689 -1.24110719198606 0.417377357891821 M301T3863 M301.1T3862.5 301.100006103516 301.100006103516 301.100006103516 3862.52057125727 3862.52057125727 3862.52057125727 1 1 0 [M-H+NaCOOH]- 234.125 21 5.58340518472341 -1.90804466854958 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3646.53531772905 3646.53531772905 3646.53531772905 1 0 1 1537 Inf 1.38748532740247 0.397570680664364 M386T3439 M386.2T3438.8 386.200012207031 386.200012207031 386.200012207031 3438.75373296649 3438.03540394362 3451.29723481843 3 2 1 [55][M+1]- 62 1.07520518584329 -0.665824510117223 0.625693979694522 M386T4128 M386.2T4128.5 386.200012207031 386.200012207031 386.200012207031 4128.45105340014 4128.45105340014 4128.45105340014 1 0 1 [56][M+1]- 23 1.3563443875369 1.72128825057952 0.333189378381098 M386T3175 M386.2T3175.5 386.200012207031 386.200012207031 386.200012207031 3175.46440827929 3175.46440827929 3175.46440827929 1 1 0 743 2.51913666115849 -1.16242296444702 0.44952249826904 M386T3509 M386.3T3508.7 386.300018310547 386.300018310547 386.300018310547 3508.73431945504 3508.73431945504 3508.73431945504 1 1 0 119 Inf -1.15401100394072 0.454559246408264 M386T3308 M386.3T3308.4 386.300018310547 386.300018310547 386.300018310547 3308.41925454435 3308.41925454435 3308.41925454435 1 1 0 533 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M399T4149 M399.2T4148.8 399.200012207031 399.200012207031 399.200012207031 4148.8084114526 4148.8084114526 4148.8084114526 1 1 0 6181 Inf -1 0.5 M399T2854 M399.2T2854.3 399.200012207031 399.200012207031 399.200012207031 2854.33877468858 2854.33877468858 2854.33877468858 1 1 0 4259 2.42941057565217 -3.54780728078651 0.173573099789267 M399T2810 M399.2T2810 399.200012207031 399.200012207031 399.200012207031 2809.97239569454 2809.97239569454 2809.97239569454 1 1 0 202 1.56031644721336 -0.302340330537646 0.795242081090513 M399T4048 M399.3T4048 399.300018310547 399.300018310547 399.300018310547 4048.02955084935 4048.02955084935 4062.59184049356 3 2 0 4115 23.3588706523741 -1.77851332124658 0.325565727428818 M399T2869 M399.3T2869.2 399.300018310547 399.300018310547 399.300018310547 2869.20355392318 2869.20355392318 2869.20355392318 1 0 1 3647 3.02344042662242 0.635398111519312 0.623625983514867 M399T2753 M399.3T2752.5 399.300018310547 399.300018310547 399.300018310547 2752.51801993109 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400 400 400 4246.28574443202 4246.28574443202 4246.28574443202 1 0 1 326 Inf 2.46627565982419 0.245234025325714 M400T3555 M400T3555.2 400 400 400 3555.18495297117 3555.18495297117 3555.18495297117 1 1 0 186 3.02563774805626 -1.59606560015207 0.258597384920376 M400T3795 M400T3794.9 400 400 400 3794.94888137568 3794.94888137568 3794.94888137568 1 1 0 5405 Inf -1 0.5 M400T2780 M400.1T2779.8 400.100006103516 400.100006103516 400.100006103516 2779.82243206612 2777.62270382815 2782.0221603041 2 1 1 112 1.27733555230096 -0.41394112508734 0.749521978827588 M400T4229 M400.1T4229 400.100006103516 400.100006103516 400.100006103516 4228.96022276304 4228.96022276304 4228.96022276304 1 1 0 5422 Inf -1.10912544655547 0.467090850409481 M400T4086 M400.1T4086.1 400.100006103516 400.100006103516 400.100006103516 4086.12110918763 4086.12110918763 4086.12110918763 1 1 0 4979 51.7476674779967 -0.980492398045952 0.506173205737115 M400T3927 M400.1T3927.4 400.100006103516 400.100006103516 400.100006103516 3927.40977769388 3927.40977769388 3927.40977769388 1 0 1 2956 Inf 1.21903254094576 0.437364495755912 M400T3450 M400.1T3450 400.100006103516 400.100006103516 400.100006103516 3449.98429869677 3449.98429869677 3449.98429869677 1 0 1 [M-H-NCO]- 443.107 74 1.09323817021592 -0.0629302841233888 0.955585589836258 M400T2802 M400.1T2801.8 400.100006103516 400.100006103516 400.100006103516 2801.7784139276 2801.7784139276 2801.7784139276 1 1 0 5175 1.10785817322146 0.321388296482622 0.789143376804286 M400T4330 M400.1T4330.4 400.100006103516 400.100006103516 400.100006103516 4330.36340158956 4330.36340158956 4330.36340158956 1 1 0 6119 42.1184210526351 -2.39424240233025 0.250522372102746 M400T3821 M400.2T3820.6 400.200012207031 400.200012207031 400.200012207031 3820.6283012824 3819.00645257292 3822.25014999188 2 1 1 [62][M]- 1866 1.05116891123303 0.0354468527641635 0.974949138304042 M400T4449 M400.2T4449.3 400.200012207031 400.200012207031 400.200012207031 4449.30040158956 4449.30040158956 4449.30040158956 1 1 0 258 5.57629629629706 -1.08345788712306 0.459084960185751 M400T4462 M400.2T4462.2 400.200012207031 400.200012207031 400.200012207031 4462.24874443202 4462.24874443202 4462.24874443202 1 0 1 5900 2.98159509202448 -0.660862488850085 0.626231732805632 M400T4136 M400.2T4136.2 400.200012207031 400.200012207031 400.200012207031 4136.24529906271 4136.24529906271 4136.24529906271 1 1 0 [M+Cl]- 365.23 99 51.35520485105 -1.12277312029811 0.463150920895288 M400T4116 M400.2T4115.8 400.200012207031 400.200012207031 400.200012207031 4115.77010394063 4115.77010394063 4115.77010394063 1 1 0 [M-H]- 401.21 43 36.8365661658573 -1.15397155531866 0.454520214101594 M400T3744 M400.2T3744.1 400.200012207031 400.200012207031 400.200012207031 3744.08158908687 3744.08158908687 3744.08158908687 1 0 1 [M-H-N2O]- 445.212 [M-H-CONH2]- 445.212 14 95.9555053365036 1.00094788091685 0.499689705541168 M400T3856 M400.2T3855.8 400.200012207031 400.200012207031 400.200012207031 3855.84399832511 3855.84399832511 3855.84399832511 1 1 0 21 1.69279898103758 -0.354567947098627 0.763608627702838 M400T4176 M400.2T4175.6 400.200012207031 400.200012207031 400.200012207031 4175.56395558154 4175.56395558154 4175.56395558154 1 1 0 [M-H-C2H2]- 427.211 115 118.325720846012 -1.06485288204224 0.480001770769116 M400T4209 M400.2T4208.5 400.200012207031 400.200012207031 400.200012207031 4208.54132538497 4208.54132538497 4208.54132538497 1 1 0 [M-H-C2H2]- 427.211 140 418.091907766458 -1.02301339781697 0.492756629267469 M400T3101 M400.3T3100.6 400.300018310547 400.300018310547 400.300018310547 3100.55606876356 3100.55606876356 3100.55606876356 1 0 1 3137 Inf 2.20023452293926 0.271573934417922 M400T4069 M400.3T4068.9 400.300018310547 400.300018310547 400.300018310547 4068.87273440628 4068.87273440628 4068.87273440628 1 0 1 3853 2.62974904638211 0.579267766900154 0.647500383408103 M400T2848 M400.3T2848.1 400.300018310547 400.300018310547 400.300018310547 2848.05352258887 2848.05352258887 2848.05352258887 1 1 0 5632 6.38730041925395 -0.833288689596351 0.552405843791848 M400T3691 M400.3T3690.9 400.300018310547 400.300018310547 400.300018310547 3690.86797846772 3690.86797846772 3690.86797846772 1 0 1 596 Inf 1 0.5 M400T3024 M400.3T3024.2 400.300018310547 400.300018310547 400.300018310547 3024.20132472852 3024.20132472852 3024.20132472852 1 0 1 2145 Inf 1 0.5 M400T3943 M400.3T3942.7 400.300018310547 400.300018310547 400.300018310547 3942.74331488216 3942.74331488216 3942.74331488216 1 0 1 4152 3.2216637483672 2.22056795381908 0.268984558945025 M400T3620 M400.3T3620.2 400.300018310547 400.300018310547 400.300018310547 3620.19051163634 3620.19051163634 3620.19051163634 1 1 0 2561 Inf -1 0.5 M400T2655 M400.3T2655.1 400.300018310547 400.300018310547 400.300018310547 2655.1439483562 2655.1439483562 2655.1439483562 1 1 0 220 3.06116094572167 -3.45871494176302 0.146887709832079 M400T4214 M400.5T4213.6 400.5 400.5 400.5 4213.60166691331 4213.60166691331 4213.60166691331 1 0 1 5320 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3689.29376228834 3689.29376228834 1 0 1 617 Inf 1 0.5 M570T4141 M570.5T4141.4 570.5 570.5 570.5 4141.37597099195 4141.37597099195 4141.37597099195 1 0 1 4247 Inf 1 0.5 M571T2728 M570.6T2727.9 570.600036621094 570.600036621094 570.600036621094 2727.91346287142 2727.91346287142 2727.91346287142 1 1 0 2448 Inf -1 0.5 M571T2903 M570.6T2903.2 570.600036621094 570.600036621094 570.600036621094 2903.17727640216 2903.17727640216 2903.17727640216 1 0 1 3926 Inf 1 0.5 M571T3515 M570.6T3515 570.600036621094 570.600036621094 570.600036621094 3514.99046491624 3514.99046491624 3514.99046491624 1 1 0 [156][M]2- 351 7.98020123951961 -0.905807077098373 0.527375786602802 M571T2916 M570.8T2916 570.799987792969 570.799987792969 570.799987792969 2915.96882550519 2915.96882550519 2915.96882550519 1 1 0 56 12.3309088179579 -0.916505850244478 0.526440295862228 M571T2687 M570.8T2687.3 570.799987792969 570.799987792969 570.799987792969 2687.30875175009 2687.30875175009 2687.30875175009 1 0 1 678 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571.100036621094 571.100036621094 571.100036621094 3689.35201516072 3689.35201516072 3689.35201516072 1 1 0 568 9.94844517028948 -0.894971785220491 0.532853650755302 M571T4081 M571.1T4081.5 571.100036621094 571.100036621094 571.100036621094 4081.47888012129 4081.47888012129 4081.47888012129 1 0 1 5729 Inf 1 0.5 M571T3910 M571.1T3909.6 571.100036621094 571.100036621094 571.100036621094 3909.62619158916 3909.62619158916 3909.62619158916 1 0 1 4786 5.77177103889802 0.825604176046649 0.560017358837894 M571T3763 M571.1T3762.8 571.100036621094 571.100036621094 571.100036621094 3762.78203929079 3762.78203929079 3762.78203929079 1 0 1 [157][M]- 956 1.92704020693205 0.435349874396236 0.720220725807232 M571T2733 M571.2T2732.6 571.200012207031 571.200012207031 571.200012207031 2732.55616682718 2732.55616682718 2732.55616682718 1 1 0 2533 Inf -1.21505311581594 0.438385529725879 M571T3918 M571.2T3917.9 571.200012207031 571.200012207031 571.200012207031 3917.89401957649 3917.89401957649 3917.89401957649 1 1 0 2944 1.41900944040646 -0.317677340064673 0.786728873511286 M571T2570 M571.2T2570.1 571.200012207031 571.200012207031 571.200012207031 2570.135668269 2570.135668269 2570.135668269 1 0 1 5299 1.46681210711729 0.31787003023807 0.803873595285239 M571T4124 M571.3T4123.7 571.299987792969 571.299987792969 571.299987792969 4123.74438860043 4123.74438860043 4123.74438860043 1 1 0 [154][M+1]- 1738 1.39281313674205 -0.380854164863595 0.768243659101307 M571T2723 M571.3T2723.3 571.299987792969 571.299987792969 571.299987792969 2723.27653495129 2723.27653495129 2723.27653495129 1 1 0 2450 6.41540641373812 -1.02967430502853 0.481043299563673 M571T3246 M571.3T3246.3 571.299987792969 571.299987792969 571.299987792969 3246.33080440992 3246.33080440992 3246.33080440992 1 1 0 3471 1.04513339923829 0.252487223305586 0.833327950519715 M571T3791 M571.3T3791.2 571.299987792969 571.299987792969 571.299987792969 3791.23922865522 3791.23922865522 3791.23922865522 1 0 1 4445 7.81428243231933 1.36584167332819 0.38927435315611 M571T4259 M571.3T4258.8 571.299987792969 571.299987792969 571.299987792969 4258.80474443202 4258.80474443202 4258.80474443202 1 0 1 297 Inf 1 0.5 M571T3158 M571.3T3158.1 571.299987792969 571.299987792969 571.299987792969 3158.12108870158 3158.12108870158 3158.12108870158 1 0 1 852 2.89769685747244 0.619070886373713 0.630372038562912 M571T4125 M571.4T4125.5 571.400024414062 571.400024414062 571.400024414062 4125.47836127181 4122.06642147928 4133.14561853743 4 2 2 [155][M+1]- 23 1.64120544888186 -2.87742902944425 0.119170067629478 M571T2780 M571.4T2780 571.400024414062 571.400024414062 571.400024414062 2780.01409031445 2774.67191534644 2785.35626528247 2 0 2 4270 15.248422095281 2.25624806454477 0.25577219486569 M571T4085 M571.4T4084.6 571.400024414062 571.400024414062 571.400024414062 4084.63062227959 4084.63062227959 4084.63062227959 1 0 1 5730 2.30641621363806 0.519682732718413 0.675041108406764 M571T3281 M571.4T3281.5 571.400024414062 571.400024414062 571.400024414062 3281.49564400442 3281.49564400442 3281.49564400442 1 1 0 1251 Inf -1 0.5 M571T3708 M571.4T3707.7 571.400024414062 571.400024414062 571.400024414062 3707.67695099937 3707.67695099937 3707.67695099937 1 1 0 [M+Cl]- 536.433 [M-H]- 572.406 17 3.07287084579567 -0.746126443035474 0.57246591481991 M571T3033 M571.4T3032.9 571.400024414062 571.400024414062 571.400024414062 3032.9138977851 3032.9138977851 3032.9138977851 1 1 0 2159 Inf -1.42549421431202 0.389445396892434 M571T3299 M571.4T3299.1 571.400024414062 571.400024414062 571.400024414062 3299.1367219701 3299.1367219701 3299.1367219701 1 0 1 2596 2.82663111293293 0.609220889307776 0.634519379899763 M571T3782 M571.4T3781.7 571.400024414062 571.400024414062 571.400024414062 3781.72876897582 3781.72876897582 3781.72876897582 1 0 1 [M+Cl]- 536.429 [M-H]- 572.411 88 42.4622984291188 1.06193969578615 0.480699643163957 M572T3733 M571.5T3733.2 571.5 571.5 571.5 3733.16254816209 3733.16254816209 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