Mercurial > repos > computational-metabolomics > mspurity_puritya
diff test-data/frag4feature_output.tsv @ 0:56cce1a90b73 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
| author | computational-metabolomics |
|---|---|
| date | Wed, 27 Nov 2019 14:26:04 -0500 |
| parents | |
| children | 10e56e53668c |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/frag4feature_output.tsv Wed Nov 27 14:26:04 2019 -0500 @@ -0,0 +1,324 @@ +"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intf" "maxo" "maxf" "i" "sn" "sample" "cid" "filename" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" +"12" 112.050766766484 112.050651550293 112.087196350098 67.47903 55.2769038 80.361672 36223791.266206 133522503.549415 7158012.5 8555976.39592391 1 21.054952458659 1 9 "LCMSMS_2.mzML" 1 384 466 462 64.427298 112.050704956055 0.55162878935702 64.958766 1 466 +"12" 112.05085569128 112.050621032715 112.120460510254 67.634034 55.4140188 80.555406 36139265.8017591 133395720.51942 7426335.5 8522973.08164079 1 20.3803986860233 2 400 "LCMSMS_1.mzML" 1 1218 472 468 65.376156 112.050743103027 1.00479600749392 65.928894 2 472 +"14" 113.03541992282 113.034698486328 113.059997558594 83.441172 72.006432 95.851296 88462324.9597518 348004137.88132 18599380 22772249.3980656 1 27.431622141047 1 11 "LCMSMS_2.mzML" 1 499 604 600 81.93093 113.034736633301 6.04491512630164 82.463394 1 604 +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 1 1321 596 594 81.344292 113.034736633301 5.61834418239318 81.70764 2 596 +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 0.472133563046185 1380 667 666 90.601068 113.034713745117 5.8208310964319 90.871572 2 667 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 0.950632241095866 226 277 276 40.9547952 116.070838928223 1.7359353575902 41.2252842 1 277 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 281 343 342 49.182402 116.070831298828 1.67020474130592 49.452918 1 343 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 337 410 408 57.5697876 116.070770263672 1.14435981103166 57.9341562 1 410 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 0.989376188689562 1055 277 276 41.0984136 116.070816040039 2.22463819204545 41.3688786 2 277 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1110 343 342 49.3156656 116.070823669434 2.29036885341395 49.586265 2 343 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1165 409 408 57.7060356 116.070785522461 1.96171554657148 57.976677 2 409 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 391 475 474 65.949288 132.101821899414 0.0447061558976329 66.21981 1 475 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 446 541 540 74.297424 132.101867675781 0.301817188616646 74.567904 1 541 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 501 607 606 82.686066 132.101852416992 0.186309407111886 82.956534 1 607 +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1223 478 474 66.147648 132.101852416992 0.190663125216797 66.662874 2 478 +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1280 547 546 75.21942 132.101806640625 0.155860220806146 75.489906 2 547 +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1338 616 612 83.64567 132.10188293457 0.421678689232093 84.193392 2 616 +"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 746 901 900 121.56708 137.045669555664 0.662539701371764 121.837692 1 901 +"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 802 968 966 130.031346 137.045639038086 0.439857741094926 130.377228 1 968 +"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1577 903 900 121.840812 137.045669555664 0.751521765321877 122.29704 2 903 +"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1641 980 978 131.936568 137.045623779297 0.417498795184589 132.282558 2 980 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.478583762215561 265 323 318 46.161033 138.054763793945 0.385456784658412 46.8046212 1 323 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.926032123629646 270 329 324 46.926273 138.05485534668 1.04861948291394 47.539992 1 329 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 1 291 355 354 50.6971758 138.054748535156 0.27492966828249 50.9677686 1 355 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.982863487460479 347 422 420 59.113914 138.054809570312 0.717038133786177 59.477268 1 422 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.449226243412885 1094 323 318 46.2952926 138.054809570312 0.627452613468721 46.9377588 2 323 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.682440289459046 1096 326 324 47.0589156 138.054809570312 0.627452613468721 47.4072606 2 326 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 1 1135 373 372 53.1376686 138.054824829102 0.73797971994302 53.408286 2 373 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.891554874127874 1190 439 438 61.541034 138.054779052734 0.406398400520122 61.811526 2 439 +"49" 138.048727400006 138.017150878906 138.049011230469 126.956946 114.406068 134.058318 107319384.367588 399179027.020378 19350734 27741080.6360187 1 28.7232463589518 1 35 "LCMSMS_2.mzML" 0.786277688323535 764 922 918 123.896694 138.048767089844 0.287506005368198 124.445286 1 922 +"49" 138.048704393746 138.017150878906 138.049011230469 126.441198 114.599184 134.305698 108751663.360006 405340993.012011 18617462 28101051.9066502 1 30.0539027494402 2 427 "LCMSMS_1.mzML" 0.796822033254558 1598 928 924 124.941198 138.048797607422 0.67522311432569 125.455416 2 928 +"51" 140.067802644286 140.001693725586 140.115173339844 46.161033 34.0415226 58.3416642 170011285.612119 677292518.463321 32451352 44271770.7647804 1 30.5218137136917 1 38 "LCMSMS_2.mzML" 1 236 289 288 42.4292958 140.068130493164 2.34064411904564 42.6998922 1 289 +"51" 140.06784640212 140.001708984375 140.070831298828 46.2952926 34.1913918 58.478901 174282446.190803 693996060.277404 31643056 45478430.4205372 1 30.1832371220605 2 430 "LCMSMS_1.mzML" 1 1078 304 300 44.0806488 140.068084716797 1.70142315424764 44.603985 2 304 +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 1 235 287 282 41.6846646 146.117492675781 0.668288238413146 42.3093822 1 287 +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 0.983625855342406 292 356 354 50.6971758 146.117309570312 0.584851189071573 51.0603918 1 356 +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 1 1084 311 306 44.7995376 146.117416381836 0.131094031138655 45.406614 2 311 +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 0.837758373655053 1140 379 378 53.9081688 146.117370605469 0.182190821016718 54.1786398 2 379 +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.933453799267343 412 500 498 68.984166 147.043823242188 0.179918260382272 69.347514 1 500 +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.932823700733781 415 503 498 68.984166 147.043853759766 0.0276224030842009 69.59589 1 503 +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.988002630523906 1239 497 492 68.393532 147.043838500977 0.101782193880233 69.033138 2 497 +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.980928808379244 1241 500 498 69.154026 147.043838500977 0.101782193880233 69.517518 2 500 +"66" 148.042683925669 148.039047241211 148.047088623047 64.427298 51.4450368 77.267322 54935005.6176214 205821097.687204 6768361.5 13161064.5222934 1 23.5355240524895 1 47 "LCMSMS_2.mzML" 1 359 436 432 60.634806 148.042587280273 0.652821154739326 61.178016 1 436 +"66" 148.042721958059 148.038986206055 148.047119140625 64.605414 52.3652958 77.474424 58447146.6341686 220334578.529236 8228312 14115433.6753709 1 23.8773430863274 2 438 "LCMSMS_1.mzML" 1 1194 443 438 61.541034 148.042556762695 1.1158627820936 62.184492 2 443 +"67" 149.026338801704 149.026229858398 149.026382446289 91.18956 78.808182 103.89993 1698958704.63737 6840419077.33234 349382368 436967869.633165 1 31.7357588758856 1 49 "LCMSMS_2.mzML" 0.840255867615411 605 731 726 98.311686 149.026306152344 0.219084497676219 98.956014 1 731 +"67" 149.026337703886 149.026229858398 149.026382446289 91.376562 78.998916 104.102922 1669137911.63194 6717727255.45554 353652704 429749452.797022 1 31.8010283688846 2 440 "LCMSMS_1.mzML" 0.835356522321461 1434 731 726 98.516814 149.026321411133 0.109328008331516 99.1614 2 731 +"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 1 361 439 438 61.39704 150.058166503906 0.0864219478424959 61.66767 1 439 +"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 0.910779902061608 416 505 504 69.717042 150.058135986328 0.116949727777665 69.987654 1 505 +"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 1 1195 445 444 62.309778 150.058135986328 0.314086049683708 62.58027 2 445 +"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 0.899887678060438 1250 511 510 70.627524 150.05810546875 0.517457685211921 70.898028 2 511 +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 490 593 588 80.361672 153.040512084961 1.36876674481465 81.033882 1 593 +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 548 663 660 89.6403 153.040344238281 2.46551196382807 90.100398 1 663 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1318 592 588 80.555406 153.040512084961 1.42054480190384 81.122028 2 592 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1375 661 660 89.831544 153.04035949707 2.41758585847294 90.102054 2 661 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1430 727 726 98.516814 153.040557861328 1.12143248493311 98.787414 2 727 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.672380618767158 247 302 300 43.9150368 156.076675415039 3.222597768605 44.278287 1 302 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.71122543687701 250 305 300 43.9150368 156.076675415039 3.222597768605 44.5133742 1 305 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 306 373 372 52.9810356 156.076614379883 2.83153771572103 53.2516788 1 373 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 362 440 438 61.39704 156.076599121094 2.73377270250004 61.760394 1 440 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.689159500011442 1076 302 300 44.0806488 156.076690673828 2.9013587500534 44.445024 2 302 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.737802126994146 1080 307 306 44.7995376 156.076675415039 2.80359377779621 45.0700188 2 307 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 1 1136 374 372 53.1376686 156.076644897461 2.60806383328182 53.501001 2 374 +"75" 156.07623784067 156.026504516602 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203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 106 "LCMSMS_2.mzML" 1 447 542 540 74.297424 203.13883972168 0.810014339835363 74.643408 1 542 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.987995155912351 1219 473 468 65.376156 203.138854980469 0.688929364761007 66.021636 2 473 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 1 1275 541 540 74.45592 203.138793945312 0.989389432860519 74.726424 2 541 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.750231617684845 1330 607 606 82.86993 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218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.656097178055188 508 615 612 83.441172 218.13850402832 0.458536456564984 83.896776 1 615 +"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 1 566 685 684 92.725812 218.138473510742 0.318636385945355 92.996412 1 685 +"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.756767952399567 621 751 750 101.49993 218.138488769531 0.38858642125517 101.770446 1 751 +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 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72.171048 95.269182 237668711.346651 578769629.077717 38747760 40149538.2350155 1 10.6422119093857 2 520 "LCMSMS_1.mzML" 0.986868374160269 1324 599 594 81.344292 219.133697509766 3.17367875969659 81.98076 2 599 +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 1 234 286 282 41.6846646 227.113693237305 2.78152797684754 42.2166258 1 286 +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 0.881745288827023 295 359 354 50.6971758 227.113494873047 1.90811164188016 51.320388 1 359 +"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 1 1064 287 282 41.826645 227.113677978516 2.70308280095101 42.453609 2 287 +"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 0.880318719991587 1121 356 354 50.8435338 227.113540649414 2.09840996047408 51.189522 2 356 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 623 753 750 101.49993 229.154479980469 0.143197209237207 101.957028 1 753 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.881356832702374 655 791 786 106.37445 229.154418945312 0.123152220175066 107.01903 1 791 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.920867286893095 678 819 816 110.36505 229.154434204102 0.0565648628219979 110.821278 1 819 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 731 883 882 119.18757 229.154479980469 0.143197209237207 119.458086 1 883 +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1453 754 750 101.700294 229.154495239258 0.200610647606269 102.250902 2 754 +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.89031814100289 1488 796 792 107.36631 229.154403686523 0.19891349284694 107.917278 2 796 +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.90684767610572 1506 818 816 110.559792 229.154434204102 0.0657387793625367 110.923284 2 818 +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1560 883 882 119.375448 229.154479980469 0.134023290864068 119.646054 2 883 +"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.486337768381168 695 839 834 112.786446 230.138534545898 7.26737937648595 113.433918 1 839 +"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.565414375466082 751 907 906 122.344698 230.138412475586 7.79779652548532 122.615214 1 907 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.391807383300426 1523 838 834 112.983072 230.13850402832 7.3013350219424 113.533644 2 838 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.623212375972271 1572 897 894 120.962436 230.138442993164 7.56654362260474 121.505028 2 897 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.554670288641826 1575 901 900 121.840812 230.138442993164 7.56654362260474 122.111304 2 901 +"209" 231.169440223829 231.141708374023 231.170104980469 130.794318 118.391574 134.058318 148637539.112457 439297920.66514 27120750 38299876.1226009 1 30.3676899291214 1 145 "LCMSMS_2.mzML" 1 779 940 936 126.186204 231.169937133789 2.14954865844036 126.740928 1 940 +"209" 231.1694578533 231.141738891602 231.170074462891 131.148558 118.583076 134.305698 163151158.343899 484163165.256014 29294412 42055243.0047838 1 30.557814501113 2 536 "LCMSMS_1.mzML" 1 1608 940 936 126.441198 231.169860839844 1.74325167298274 126.99816 2 940 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 354 430 426 59.8657836 233.149276733398 0.304611521531101 60.41451 1 430 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 413 501 498 68.984166 233.149154663086 0.218960120613038 69.422898 1 501 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 471 571 570 78.035046 233.149139404297 0.284406575881055 78.305538 1 571 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 0.94350103628384 527 638 636 86.547678 233.149337768555 0.56639734260317 86.911908 1 638 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1183 430 426 60.003786 233.149291992188 0.69018353444396 60.54639 2 430 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1244 503 498 69.154026 233.14924621582 0.493844105786682 69.74364 2 503 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1300 571 570 78.227304 233.149185180664 0.232058200910312 78.49779 2 571 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 0.926008456943044 1355 637 636 86.744814 233.14924621582 0.493844105786682 87.015312 2 637 +"234" 244.953385254716 244.896118164062 245.043228149414 40.9547952 28.2062742 52.9810356 16037222.3783712 64899256.6117073 3590265.25 4242185.37986366 1 12.6030181737188 1 162 "LCMSMS_2.mzML" 0.881349316806368 219 268 264 39.4231566 244.953887939453 2.05216489084812 39.972006 1 268 +"234" 244.953869913692 244.896194458008 245.030487060547 41.0984136 28.3160286 53.1376686 15496382.1927917 62791898.5729703 3460913.25 4097876.20121155 1 14.4994252113539 2 553 "LCMSMS_1.mzML" 0.923443194027494 1053 274 270 40.331784 244.953842163086 0.11328911160655 40.8834882 2 274 +"235" 245.07657810262 245.058502197266 245.113082885742 83.441172 71.233434 95.851296 130107908.671788 506813267.729398 28372734 33047728.9500919 1 24.1571487502111 1 163 "LCMSMS_2.mzML" 1 502 608 606 82.686066 245.076446533203 0.536850227266776 83.03208 1 608 +"235" 245.076612709839 245.045013427734 245.113418579102 83.64567 71.396808 96.141564 133327487.129729 519799854.462329 30575682 33749558.6230221 1 24.4576476339533 2 554 "LCMSMS_1.mzML" 1 1326 602 600 82.10931 245.076461791992 0.615798647494415 82.455288 2 602 +"238" 246.144917517526 246.144378662109 246.19221496582 56.048412 44.6336652 69.717042 148350049.60707 333143139.887778 13887742 21615823.5963323 1 10.4096882269271 1 164 "LCMSMS_2.mzML" 0.756803098694239 273 333 330 47.662548 246.14453125 1.56926874746986 48.1182612 1 333 +"238" 246.144952248507 246.144378662109 246.192169189453 56.1655458 44.7995376 69.864534 150762013.014634 333732277.248357 14014453 21754808.112732 1 10.2385155603447 2 555 "LCMSMS_1.mzML" 0.750716423305217 1102 333 330 47.814411 246.144577026367 1.52439502082907 48.2713692 2 333 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.821741670840677 269 328 324 46.926273 247.128524780273 0.0757397186380841 47.46063 1 328 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.938635147966783 314 382 378 53.7376638 247.128555297852 0.0477489633776442 54.289368 1 382 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.857111083112714 374 454 450 62.924034 247.128494262695 0.199228400653812 63.463008 1 454 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.814422484596901 1098 328 324 47.0589156 247.128570556641 0.0207233699446665 47.594502 2 328 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.888295194342072 1146 386 384 54.6427758 247.12841796875 0.638166699621889 55.007136 2 386 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.981696979641786 1209 461 456 63.848922 247.128540039062 0.144212035880111 64.478262 2 461 +"246" 249.094795122248 248.998840332031 249.108001708984 43.9150368 31.7040216 56.7980382 181288728.896844 694915682.737233 30663236 43807350.0510286 1 23.5096840518923 1 167 "LCMSMS_2.mzML" 0.974841450728785 238 291 288 42.4292958 249.095626831055 3.33892486946568 42.87426 1 291 +"246" 249.094786329156 248.99885559082 249.108108520508 44.0806488 31.850268 56.9384052 188342757.475762 722605329.15557 31173768 45742421.0002743 1 23.6562441549647 2 558 "LCMSMS_1.mzML" 0.972305308606495 1063 286 282 41.826645 249.095642089844 3.43548213316374 42.3608646 2 286 +"254" 253.152010413701 253.151672363281 253.179840087891 130.794318 119.18757 134.058318 26945261.0609135 75957155.4407699 5148614 7002890.33519098 1 23.4753344450044 1 173 "LCMSMS_2.mzML" 0.90027841033975 792 956 954 128.497464 253.151809692383 0.792888502700217 128.861796 1 956 +"254" 253.152005957588 253.151718139648 253.17985534668 131.148558 118.583076 134.305698 26724378.1672575 76291898.3275723 4978996.5 6914639.34797795 1 22.6485160038881 2 564 "LCMSMS_1.mzML" 0.937362849422515 1622 957 954 128.75019 253.151733398438 1.07666202029397 129.21015 2 957 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.847235770572558 349 424 420 59.113914 260.160125732422 0.66079949927416 59.6453988 1 424 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.924330695607273 383 465 462 64.427298 260.160003662109 0.19158696018755 64.867014 1 465 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.914064038327345 407 494 492 68.244408 260.160034179688 0.308890094959202 68.608668 1 494 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.841126437434894 441 535 534 73.529172 260.160125732422 0.66079949927416 73.799652 1 535 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.55749869514057 468 567 564 77.267322 260.160034179688 0.308890094959202 77.726148 1 567 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.946893122380285 496 601 600 81.93093 260.160095214844 0.543496364502507 82.20144 1 601 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.821830289582688 1163 406 402 56.9384052 260.16015625 0.840402113981948 57.4883808 2 406 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.851588855173982 1178 424 420 59.2511508 260.160125732422 0.723098971902377 59.783622 2 424 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.933128174347517 1222 477 474 66.147648 260.160064697266 0.488492687743234 66.587394 2 477 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.903572450801527 1238 496 492 68.393532 260.160064697266 0.488492687743234 68.940384 2 496 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.690560642146632 1282 549 546 75.21942 260.160034179688 0.371189545663663 75.659004 2 549 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.546970369281507 1296 566 564 77.474424 260.159973144531 0.136583261504521 77.83902 2 566 +"278" 263.194464580713 263.105407714844 263.196166992188 74.297424 62.924034 85.770306 119933218.572382 405163218.56135 25959554 28271834.5936298 1 18.3735788635792 1 187 "LCMSMS_2.mzML" 1 420 509 504 69.717042 263.196014404297 5.88851131945123 70.340268 1 509 +"278" 263.194591006946 263.105438232422 263.196136474609 74.45592 63.078168 85.969068 127296971.737416 432940127.545569 27733744 30178065.3075823 1 18.474001566198 2 577 "LCMSMS_1.mzML" 1 1248 508 504 69.864534 263.196075439453 5.64005704320773 70.412256 2 508 +"282" 265.07194783613 264.972778320312 265.121490478516 46.161033 33.2788968 58.3416642 56738949.5438045 211537347.775767 8726244 13582517.3423529 1 21.9005220232964 1 190 "LCMSMS_2.mzML" 0.556694264486346 230 281 276 40.9547952 265.069580078125 8.93251068163562 41.5643712 1 281 +"282" 265.072207618208 264.972686767578 265.121154785156 46.2952926 33.428391 58.478901 59594262.5213418 221974116.830665 8799412 14289335.2723432 1 21.4444932304386 2 580 "LCMSMS_1.mzML" 0.586735229915088 1059 281 276 41.0984136 265.069671630859 9.56715670741146 41.706231 2 281 +"298" 268.997725920593 268.950439453125 269.039093017578 42.4292958 29.960895 53.7376638 53634416.7438183 215675430.907926 13946139 14247890.3566914 1 23.810466331062 1 193 "LCMSMS_2.mzML" 1 229 280 276 40.9547952 268.998260498047 1.98729358071083 41.4698838 1 280 +"298" 268.99755266196 268.950531005859 269.018218994141 42.5736636 30.0872718 53.9081688 51889370.7166119 208230251.154206 13217159 13748008.6520212 1 24.9127538007046 2 583 "LCMSMS_1.mzML" 0.916804554552295 1052 273 270 40.331784 268.998291015625 2.74483413429186 40.7897508 2 273 +"301" 271.074857250183 270.95654296875 271.103546142578 43.1829192 30.8096568 55.2769038 64515333.1129028 239868774.915776 13621015 15987233.2560677 1 19.7508246169866 1 196 "LCMSMS_2.mzML" 0.473881896281215 283 345 342 49.182402 271.077117919922 8.33965112754828 49.625877 1 345 +"301" 271.075417555327 270.95654296875 271.103546142578 43.3414116 31.850268 55.4140188 65084413.3775139 243452484.630011 13276881 16318497.2580106 1 19.9808033411058 2 586 "LCMSMS_1.mzML" 0.464383913270215 1111 344 342 49.3156656 271.077239990234 6.72298109366911 49.6800036 2 344 +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 298 363 360 51.4450368 272.171234130859 1.68120319899846 51.9020142 1 363 +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 357 434 432 60.634806 272.171203613281 1.56907661982964 60.991638 1 434 +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1122 357 354 50.8435338 272.171264648438 1.80054914060759 51.2832498 2 357 +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1182 429 426 60.003786 272.171234130859 1.68842256062929 60.452634 2 429 +"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 550 665 660 89.6403 274.175598144531 0.216230596064992 90.289284 1 665 +"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 607 734 732 99.103422 274.175750732422 0.340302730253833 99.467778 1 734 +"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1378 664 660 89.831544 274.175689697266 0.0205222623825999 90.383274 2 664 +"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1435 733 732 99.309546 274.175811767578 0.424704337136951 99.580056 2 733 +"311" 277.102858679325 277.067169189453 277.179595947266 34.0415226 21.199029 46.161033 145469607.640438 586781142.338738 35585992 36637018.0603241 1 25.30055717014 1 203 "LCMSMS_2.mzML" 0.965585674421809 164 202 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71653387.2778775 4228704 4780699.57093132 1 14.9802846911842 1 206 "LCMSMS_2.mzML" 0.958445527217673 433 525 522 72.006432 280.048767089844 0.227740748164162 72.465522 1 525 +"315" 280.048708274226 280.040130615234 280.048828125 70.627524 58.478901 82.86993 18771009.8164162 75191218.2698408 4342784.5 5011879.8420823 1 14.1923816087802 2 596 "LCMSMS_1.mzML" 1 1254 515 510 70.627524 280.048767089844 0.21001924459186 71.27514 2 515 +"320" 281.15252384442 281.152374267578 281.174072265625 75.040038 62.924034 87.323322 14877316.1398348 60199843.0812096 3414390 3998688.59012118 1 20.1741281646815 1 210 "LCMSMS_2.mzML" 0.637453324904029 453 549 546 75.040038 281.152435302734 0.314924027932607 75.479766 1 549 +"320" 281.152589677454 281.152191162109 281.247344970703 75.21942 63.078168 87.51981 14853465.643065 59992866.9907002 3424272.25 3981827.62534965 1 20.6264003919726 2 600 "LCMSMS_1.mzML" 0.620907418370238 1283 550 546 75.21942 281.152526855469 0.223444446909704 75.752772 2 550 +"329" 285.083759240311 285.082397460938 285.178070068359 83.441172 71.233434 95.851296 390490237.708939 1529715401.18675 44184352 97909689.0812682 1 30.959424539331 1 215 "LCMSMS_2.mzML" 1 475 575 570 78.035046 285.082427978516 4.66972162369016 78.680652 1 575 +"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1304 575 570 78.227304 285.082458496094 4.32580843206702 78.872766 2 575 +"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1360 643 642 87.51981 285.08251953125 4.11171285934892 87.790416 2 643 +"332" 287.052049791825 286.954528808594 287.134643554688 43.1829192 32.492523 54.5086626 26752158.9251992 72095538.7563538 5547312 5178418.18928124 1 10.214758777309 1 218 "LCMSMS_2.mzML" 0.954730218466491 257 314 312 45.3966672 287.051239013672 2.82449873970901 45.7610238 1 314 +"346" 292.194651731624 292.051391601562 292.197937011719 44.7995376 32.6425146 56.9384052 170266092.005698 698188745.37295 49955152 46318764.2981038 1 24.0331437137171 2 613 "LCMSMS_1.mzML" 1 1079 305 300 44.0806488 292.197509765625 9.78126732989025 44.6793558 2 305 +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 515 623 618 84.215802 294.154174804688 0.638234700161588 84.862908 1 623 +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 571 691 690 93.504684 294.154296875 0.223247441620917 93.775182 1 691 +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 0.833165267819786 630 761 756 102.298554 294.154266357422 0.326994256256085 102.94539 1 761 +"350" 294.144197247402 294.141693115234 294.144409179688 126.956946 114.406068 134.058318 74791859.4829492 276332748.642061 13587920 19443171.1005083 1 20.4361509926574 1 226 "LCMSMS_2.mzML" 1 760 917 912 123.12582 294.144256591797 0.201752728809333 123.772038 1 917 +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1343 622 618 84.41529 294.154235839844 0.475188001900272 84.967014 2 622 +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1400 691 690 93.704046 294.154266357422 0.371441191876333 93.974586 2 691 +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 0.850497451092607 1456 758 756 102.499182 294.154327392578 0.163947571828457 102.863394 2 758 +"350" 294.144151612685 294.141845703125 294.144378662109 127.214454 114.599184 134.305698 74643069.3176933 277438125.15485 13432314 19392950.4202136 1 20.1202530214394 2 615 "LCMSMS_1.mzML" 1 1588 916 912 123.399822 294.144195556641 0.149395984903466 123.951648 2 916 +"353" 295.128370886131 295.095062255859 295.157745361328 76.520544 65.179668 86.547678 81211019.0210362 223762643.2396 19743780 16372542.5660009 1 12.7579145898773 1 229 "LCMSMS_2.mzML" 1 460 557 552 75.78993 295.128387451172 0.056128254887318 76.39776 1 557 +"353" 295.128482680347 295.095001220703 295.163787841797 76.72203 65.376156 87.51981 84731667.8795457 232979062.8185 19277230 17069801.5923534 1 13.1325072983287 2 618 "LCMSMS_1.mzML" 1 1293 562 558 76.72203 295.128326416016 0.529478992923054 77.255502 2 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101820793.773478 1 28.1168637764671 2 619 "LCMSMS_1.mzML" 0.86254202820422 1106 338 336 48.5632728 296.065582275391 0.853008942554973 48.927525 2 338 +"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 538 651 648 88.089936 302.170684814453 0.129849178397445 88.55001 1 651 +"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 595 719 714 96.726306 302.170715332031 0.230843694481696 97.37202 1 719 +"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1373 658 654 89.058666 302.170593261719 0.152079531417791 89.615262 2 658 +"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1432 729 726 98.516814 302.170745849609 0.352893059635583 98.97489 2 729 +"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 345 419 414 58.3416642 303.165832519531 2.44428005641968 58.986255 1 419 +"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 403 489 486 67.47903 303.165802001953 2.34361682380905 67.937004 1 489 +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.432061153193625 640 773 768 103.89993 303.094818115234 5.15147063834845 104.546778 1 773 +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.462196855804655 642 776 774 104.697678 303.094818115234 5.15147063834845 105.06204 1 776 +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.501917688567097 647 782 780 105.491046 303.0947265625 4.84940936730615 105.940902 1 782 +"373" 303.165173950139 303.094573974609 303.165924072266 61.541034 48.5632728 73.692786 105516077.576669 335184775.802581 13435952 21538205.1865512 1 15.5391777232997 2 628 "LCMSMS_1.mzML" 1 1176 422 420 59.2511508 303.165893554688 2.37363856485134 59.6153886 2 422 +"373" 303.0935043503 302.960144042969 303.131256103516 106.573314 92.927058 120.16695 19249352.6008139 61208306.3768512 3236424.5 3692449.07508445 1 13.9921603600895 2 627 "LCMSMS_1.mzML" 0.471553873057289 1474 779 774 104.89992 303.094757080078 4.13314623929914 105.544524 2 779 +"379" 306.165343359271 306.06103515625 306.213012695312 60.634806 46.161033 72.774312 36600545.6318729 108090728.78972 4446653 6816835.56164917 1 12.4462615141952 1 240 "LCMSMS_2.mzML" 1 373 453 450 62.924034 306.165435791016 0.301901395845472 63.36927 1 453 +"379" 306.165842675626 306.061004638672 306.213134765625 60.766158 46.2952926 72.943668 37548935.0549396 109642616.014956 4414727.5 6871656.61167438 1 12.0218953801312 2 629 "LCMSMS_1.mzML" 1 1188 436 432 60.766158 306.165435791016 1.32896801008782 61.320012 2 436 +"381" 307.065221870812 307.064056396484 307.169128417969 83.441172 71.233434 95.851296 78574866.5101825 293271085.609162 9362117 19081528.0813003 1 23.4910219491376 1 242 "LCMSMS_2.mzML" 1 495 599 594 81.162672 307.064361572266 2.80168018140163 81.801528 1 599 +"381" 307.065169833815 307.063385009766 307.169067382812 84.41529 72.171048 96.932814 78681676.5042767 294895222.314072 9072029 19080166.5155122 1 22.897889728418 2 631 "LCMSMS_1.mzML" 1 1322 597 594 81.344292 307.064361572266 2.63221501147223 81.801648 2 597 +"390" 310.136154574354 310.094848632812 310.139251708984 64.427298 52.214286 76.520544 44104606.2705919 144052622.377804 7909532.5 9388008.67555042 1 14.59502153435 1 248 "LCMSMS_2.mzML" 0.94388036072062 365 443 438 61.39704 310.139099121094 9.49436786473756 62.027772 1 443 +"390" 310.173263964048 310.150390625 310.175689697266 99.89805 87.323322 111.9768 25173738.5677415 93624006.971868 4346344 6025361.77354898 1 21.558563485774 1 249 "LCMSMS_2.mzML" 1 600 725 720 97.518552 310.173309326172 0.146247692671587 98.164152 1 725 +"390" 310.173266651277 310.150115966797 310.175750732422 100.10529 87.51981 112.174302 24630837.8835849 91209841.2668348 4351755.5 5878351.8717454 1 20.1803526416102 2 638 "LCMSMS_1.mzML" 1 1429 725 720 97.724058 310.173309326172 0.137584052624711 98.36952 2 725 +"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 1 313 381 378 53.7376638 311.123199462891 0.580118141553539 54.1956378 1 381 +"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 0.91523007796229 372 452 450 62.924034 311.123229980469 0.482029794320406 63.275268 1 452 +"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 1 1153 394 390 55.4140188 311.123321533203 0.253503216085366 55.946496 2 394 +"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 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320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 649 "LCMSMS_1.mzML" 0.976040118953191 1260 523 522 72.171048 320.181060791016 1.11637344181876 72.44154 2 523 +"423" 323.038522617119 323.022125244141 323.132904052734 83.441172 71.233434 96.726306 87743819.4793446 342421900.463912 10586290 21986067.5449416 1 28.0424948973467 1 263 "LCMSMS_2.mzML" 1 492 596 594 81.162672 323.038360595703 0.501554472309746 81.527142 1 596 +"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 1 1317 591 588 80.555406 323.038360595703 1.1501631131821 81.046518 2 591 +"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 0.851477476454502 1377 663 660 89.831544 323.038269042969 1.43357412636825 90.289524 2 663 +"429" 326.147406045903 326.122863769531 326.168548583984 97.724058 82.86993 111.361812 56772818.9351875 165182833.310301 7287107.5 9586008.12852117 1 11.45928592514 2 655 "LCMSMS_1.mzML" 0.856518287935059 1460 763 762 103.302792 326.147247314453 0.486686224002945 103.573326 2 763 +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.899207292832854 332 404 402 56.7980382 332.181243896484 0.272975971635208 57.1632618 1 404 +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.935320554200291 393 477 474 65.949288 332.181060791016 0.824197397079887 66.40827 1 477 +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 1 478 579 576 78.808182 332.181030273438 0.916067634654 79.266258 1 579 +"443" 332.100298973136 332.0048828125 332.145355224609 127.720194 116.011194 134.058318 12861757.0433362 37362918.2197274 2113320.25 2865031.21485027 1 11.8140956289705 1 272 "LCMSMS_2.mzML" 1 777 938 936 126.186204 332.100189208984 0.330515065468827 126.551424 1 938 +"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 0.921615672723452 1167 411 408 57.7060356 332.181213378906 0.600139852390469 58.1661168 2 411 +"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 1 1307 579 576 78.998916 332.181121826172 0.875750500263337 79.457892 2 579 +"443" 332.10021472848 332.005249023438 332.144866943359 127.98057 116.198436 134.305698 12858246.6560856 37708457.8359112 2148441.75 2868791.0639978 1 12.2962127049817 2 661 "LCMSMS_1.mzML" 0.894705509786563 1601 932 930 125.668188 332.100311279297 0.290727957089558 126.03354 2 932 +"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 730 881 876 118.391574 334.139282226562 2.74291243987516 119.039922 1 881 +"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 744 898 894 120.773958 334.139251708984 2.65158028153481 121.326684 1 898 +"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1558 880 876 118.583076 334.139343261719 3.82326875511859 119.135658 2 880 +"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1574 899 894 120.962436 334.139221191406 3.45793979380559 121.693536 2 899 +"451" 335.071702758472 334.959289550781 335.127868652344 37.1197878 23.8289076 52.214286 59047325.8093013 199835648.999696 21831216 11703942.4017095 1 16.4685768965563 1 276 "LCMSMS_2.mzML" 0.621537115066523 203 249 246 37.1197878 335.073364257812 4.95863818582275 37.5783708 1 249 +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 346 421 420 59.113914 347.192047119141 0.317974525834864 59.384421 1 421 +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 401 487 486 67.47903 347.192077636719 0.40587281752108 67.749528 1 487 +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 456 553 552 75.78993 347.19189453125 0.121516932596212 76.060428 1 553 +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 511 619 618 84.215802 347.192138671875 0.58166940089351 84.486318 1 619 +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1180 427 426 60.003786 347.192016601562 0.33489439733978 60.27441 2 427 +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1235 493 492 68.393532 347.191955566406 0.159097795540679 68.66418 2 493 +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1291 560 558 76.72203 347.192016601562 0.33489439733978 77.087274 2 560 +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1350 631 630 85.969068 347.192047119141 0.422792698239331 86.239548 2 631 +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 0.975884616575299 612 740 738 99.89805 352.062774658203 1.42366825689262 100.263402 1 740 +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 666 805 804 108.763806 352.062713623047 1.59703242302873 109.034436 1 805 +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 722 872 870 117.599064 352.062683105469 1.68371450609679 117.964428 1 872 +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1437 735 732 99.309546 352.062805175781 0.168675988963446 99.76851 2 735 +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1491 800 798 108.159936 352.062713623047 0.0913706517830443 108.52554 2 800 +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1546 866 864 116.993448 352.062805175781 0.168675988963446 117.358662 2 866 +"513" 361.138129803043 360.993988037109 361.142669677734 70.627524 58.478901 82.10931 24333693.6193136 93371898.8980818 4500519.5 6277266.26403401 1 20.9450523373 2 693 "LCMSMS_1.mzML" 0.592554159471957 1253 514 510 70.627524 361.138793945312 1.83902560996564 71.181378 2 514 +"515" 362.191525584631 362.191345214844 362.19189453125 64.427298 51.4450368 78.808182 46335006.8213046 151295737.520802 4757333.5 8809476.27512898 1 14.0444009128188 1 304 "LCMSMS_2.mzML" 1 368 447 444 62.153292 362.191528320312 0.00755313504619498 62.61225 1 447 +"515" 362.191552337749 362.191314697266 362.191864013672 64.605414 51.5947758 79.776168 48061018.4866142 153926579.58099 4969405 8914278.88187661 1 14.1470112033174 2 694 "LCMSMS_1.mzML" 1 1189 437 432 60.766158 362.191558837891 0.0179466965002571 61.414758 2 437 +"518" 363.156167686281 363.154113769531 363.196746826172 69.717042 57.5697876 81.93093 107110160.13601 424241970.342704 28697960 28264027.3015988 1 22.6592311574667 1 306 "LCMSMS_2.mzML" 1 417 506 504 69.717042 363.154388427734 4.89943089081096 70.063068 1 506 +"518" 363.156117037576 363.154357910156 363.1962890625 69.864534 57.7060356 82.10931 111988706.238804 451567587.495305 28960230 29894834.9664104 1 22.7744272591357 2 696 "LCMSMS_1.mzML" 1 1243 502 498 69.154026 363.154418945312 4.67592912327222 69.668256 2 502 +"537" 369.150928816373 369.088226318359 369.153656005859 118.583076 107.36631 131.148558 19157121.0997677 56944430.7037858 3194004.25 3808722.83258924 1 10.0398908680149 2 703 "LCMSMS_1.mzML" 1 1538 856 852 115.397934 369.153167724609 6.06502127254726 115.95165 2 856 +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 1 267 326 324 46.926273 375.186950683594 1.44358584495239 47.2915098 1 326 +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.765929060507093 326 397 396 56.048412 375.186920166016 1.52492538518601 56.3190228 1 397 +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.948751823525466 381 463 462 64.427298 375.186798095703 1.85028354612048 64.697934 1 463 +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.695748300364848 436 529 528 72.774312 375.186767578125 1.93162308635409 73.044798 1 529 +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.983298338983326 1088 316 312 45.5280288 375.187103271484 2.97200435907341 46.0807512 2 316 +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.660291517393232 1145 385 384 54.6427758 375.186859130859 3.62271942172933 54.9133998 2 385 +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.888797365712394 1200 451 450 63.078168 375.186920166016 3.46004065606535 63.348642 2 451 +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.897915524033724 1255 517 516 71.396808 375.186706542969 4.02941633588928 71.667294 2 517 +"596" 394.162103579203 394.15576171875 394.171966552734 111.9768 99.89805 126.186204 7132566.77370145 23666256.0487011 714096.8125 1434361.60276091 1 10.9843537663043 1 332 "LCMSMS_2.mzML" 1 674 814 810 109.560936 394.160400390625 4.32103584366033 110.114664 1 814 +"596" 394.162101728829 394.15673828125 394.171905517578 112.983072 100.10529 126.441198 7140491.11313641 24008744.883055 729593.5625 1467502.10704 1 11.0946723612577 2 721 "LCMSMS_1.mzML" 0.947368619335833 1502 813 810 109.75707 394.160461425781 4.16149355832808 110.216034 2 813 +"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 335 "LCMSMS_2.mzML" 1 180 221 216 33.2788968 401.060302734375 3.51318767064353 33.9100062 1 221 +"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 335 "LCMSMS_2.mzML" 1 184 226 222 34.0415226 401.060333251953 3.4370956946914 34.5973668 1 226 +"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 725 "LCMSMS_1.mzML" 1 1009 221 216 33.428391 401.060333251953 4.39594784208767 34.059738 2 221 +"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 725 "LCMSMS_1.mzML" 1 1014 227 222 34.1913918 401.060363769531 4.31985593909674 34.841856 2 227 +"618" 404.141901772703 404.122772216797 404.143798828125 126.186204 113.597328 134.058318 6186830.27077119 23470864.8968283 1498748.875 1611642.74767262 1 11.5048529010062 1 338 "LCMSMS_2.mzML" 1 780 941 936 126.186204 404.141937255859 0.0877987574458814 126.835656 1 941 +"618" 404.141879764006 404.122863769531 404.144226074219 126.441198 113.791176 134.305698 6321770.471542 23977077.4289252 1546538.25 1641415.70042065 1 11.1505637975645 2 729 "LCMSMS_1.mzML" 1 1609 941 936 126.441198 404.141845703125 0.0842795138388624 127.092906 2 941 +"625" 407.204554471595 407.158233642578 407.24951171875 72.171048 57.7060356 85.191792 18876596.8545548 64541549.1142719 4003013 3904447.21139118 1 12.9577984792609 2 733 "LCMSMS_1.mzML" 0.905774765378743 1261 524 522 72.171048 407.20166015625 7.1077676158887 72.536388 2 524 +"641" 414.234577223874 414.15576171875 414.269958496094 113.597328 100.69743 125.413584 7475969.21146879 26438744.5821858 843210.9375 1650926.77456831 1 13.2488581581444 1 344 "LCMSMS_2.mzML" 0.906032693585275 684 826 822 111.16869 414.234375 0.488186851542852 111.720672 1 826 +"651" 417.20974572592 417.180267333984 417.270477294922 77.474424 63.078168 90.601068 22432349.3141121 70724089.6672141 3082974.5 4244826.29946209 1 15.3985991353603 2 738 "LCMSMS_1.mzML" 0.966905196225588 1287 555 552 75.972048 417.208648681641 2.62947903399125 76.431138 2 555 +"661" 422.245503008018 422.157257080078 422.249267578125 77.267322 65.949288 88.866054 10333015.7024962 30740971.7675276 2424521.75 2137515.17548767 1 10.3847029008525 1 352 "LCMSMS_2.mzML" 1 463 561 558 76.520544 422.2490234375 8.3373995861275 76.978776 1 561 +"661" 422.244810933483 422.158081054688 422.249237060547 77.474424 66.147648 89.058666 11115750.8073536 33995699.5385793 2324010.5 2355686.78659603 1 11.3796921243798 2 743 "LCMSMS_1.mzML" 1 1294 563 558 76.72203 422.248962402344 9.83190024582168 77.350272 2 563 +"664" 423.190755443941 423.185028076172 423.252838134766 84.215802 71.233434 96.726306 24488952.9054385 82361775.9459416 4074453.5 5092906.67197299 1 19.1024932587002 1 354 "LCMSMS_2.mzML" 1 514 622 618 84.215802 423.186798095703 9.35121617537657 84.769152 1 622 +"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 356 "LCMSMS_2.mzML" 1 310 377 372 52.9810356 429.136749267578 0.0851636661584605 53.6115018 1 377 +"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 356 "LCMSMS_2.mzML" 1 424 514 510 70.461672 429.136657714844 0.298505279838225 71.014632 1 514 +"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 747 "LCMSMS_1.mzML" 1 1139 377 372 53.1376686 429.136810302734 0.0996729000089511 53.7820062 2 377 +"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 747 "LCMSMS_1.mzML" 1 1258 520 516 71.396808 429.136688232422 0.184782597017714 71.953512 2 520 +"699" 436.215002909334 436.145385742188 436.219696044922 113.597328 101.49993 125.413584 5904448.03806087 20144723.3651187 764445.4375 1303884.29795751 1 10.3653444790918 1 361 "LCMSMS_2.mzML" 0.921419706133938 685 827 822 111.16869 436.216247558594 2.85329310399634 111.816408 1 827 +"705" 437.26196926482 437.259826660156 437.268768310547 82.686066 69.717042 95.067042 3032670.80090554 11322819.978798 739371.1875 730667.904455794 1 12.1784701858079 1 362 "LCMSMS_2.mzML" 0.534230165424194 500 605 600 81.93093 437.259979248047 4.55108587845037 82.559142 1 605 +"705" 437.262039320009 437.259765625 437.345703125 82.86993 70.627524 95.269182 3072296.30017716 11642746.3242237 832326.375 755209.503933987 1 12.2874657221692 2 751 "LCMSMS_1.mzML" 0.612492534699059 1329 605 600 82.10931 437.260040283203 4.57171358505199 82.742526 2 605 +"739" 452.191973065994 452.189270019531 452.224395751953 112.786446 99.89805 125.413584 6698054.22775966 25121192.6204043 801245.875 1552769.73925228 1 10.6990378753924 1 368 "LCMSMS_2.mzML" 0.940645050319878 680 821 816 110.36505 452.190155029297 4.02049749895926 111.010422 1 821 +"739" 452.191556747302 452.150634765625 452.224822998047 112.983072 100.10529 125.668188 6949753.68966263 25983143.0046032 813885.0625 1605073.99568666 1 10.4472184123822 2 758 "LCMSMS_1.mzML" 0.936953196044324 1509 821 816 110.559792 452.190155029297 3.09983232557278 111.205782 2 821 +"757" 461.207113324101 461.110168457031 461.2431640625 76.520544 65.179668 88.866054 48904711.0742877 195241268.75592 14374106 12850193.8354307 1 21.2071228333724 1 371 "LCMSMS_2.mzML" 1 465 563 558 76.520544 461.209899902344 6.04192381657049 77.141778 1 563 +"757" 461.20738152051 461.121826171875 461.243560791016 77.474424 65.376156 89.831544 48607882.314214 192672537.990574 14159047 12716867.2850009 1 20.5600686941203 2 761 "LCMSMS_1.mzML" 1 1299 569 564 77.474424 461.209899902344 5.460410945608 78.102018 2 569 +"759" 462.22122959389 462.213439941406 462.291839599609 57.7060356 44.7995376 75.972048 38559454.0832874 105979165.236253 3445839.75 5926579.6352243 1 10.2307809194678 2 762 "LCMSMS_1.mzML" 0.944176192726551 1187 435 432 60.766158 462.218811035156 5.23247003559527 61.226112 2 435 +"787" 476.190702761819 476.186126708984 476.307098388672 81.162672 69.717042 92.725812 39151803.0473944 118893746.090445 7816689 8198001.40019319 1 14.9845576620757 1 378 "LCMSMS_2.mzML" 0.977294138555063 474 574 570 78.035046 476.186828613281 8.13570805892727 78.58677 1 574 +"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 768 "LCMSMS_1.mzML" 0.917917041077806 1303 574 570 78.227304 476.186981201172 8.00725581423595 78.779022 2 574 +"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 768 "LCMSMS_1.mzML" 0.990314571321696 1309 581 576 78.998916 476.187042236328 7.87908207170328 79.648392 2 581 +"812" 487.181176540989 487.099060058594 487.239410400391 66.710418 54.5086626 79.585674 58453273.9503532 230378509.09492 15813294 14998690.3403142 1 19.4416133244468 1 384 "LCMSMS_2.mzML" 1 394 478 474 65.949288 487.177612304688 7.31603861859596 66.493134 1 478 +"812" 487.180877999963 487.099700927734 487.239501953125 66.865908 54.6427758 78.998916 60132074.4709007 238189012.918308 18110170 15528706.5784369 1 19.1064097764383 2 774 "LCMSMS_1.mzML" 1 1224 479 474 66.147648 487.177856445312 6.20212078776047 66.74139 2 479 +"830" 494.196757645669 494.119018554688 494.198516845703 49.9356528 37.8964158 62.153292 31096636.998985 121560345.75829 6061495.5 8000920.55155143 1 19.2246142395834 1 387 "LCMSMS_2.mzML" 1 280 341 336 48.4095336 494.197631835938 1.76891138083971 49.060251 1 341 +"830" 494.1970608933 494.119293212891 494.197875976562 50.0837946 38.0417766 62.309778 31975460.900009 125089224.818786 5749075.5 8239138.02501223 1 18.9671855740286 2 776 "LCMSMS_1.mzML" 1 1112 345 342 49.3156656 494.197631835938 1.15529347093956 49.7757558 2 345 +"840" 498.169308539313 498.16845703125 498.28955078125 81.162672 68.984166 93.504684 46040504.6258466 180736904.384221 9105023 11919892.2978446 1 18.9934607564632 1 389 "LCMSMS_2.mzML" 1 479 580 576 78.808182 498.168731689453 1.15793937994546 79.36215 1 580 +"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 778 "LCMSMS_1.mzML" 1 1313 586 582 79.776168 498.168914794922 0.564981329073345 80.330904 2 586 +"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 778 "LCMSMS_1.mzML" 1 1372 657 654 89.058666 498.169708251953 1.02776474439097 89.521512 2 657 +"843" 499.250501059464 499.216003417969 499.255126953125 129.271086 116.806434 134.058318 55312967.4069412 179331694.489759 13120593 14382850.9535263 1 18.1627514816931 1 391 "LCMSMS_2.mzML" 1 778 939 936 126.186204 499.250396728516 0.208975150626037 126.64716 1 939 +"843" 499.250391260917 499.216522216797 499.254547119141 129.525558 116.993448 134.305698 60960211.430872 197064903.836068 13479257 15776334.7230698 1 17.5991745757 2 780 "LCMSMS_1.mzML" 1 1605 937 936 126.441198 499.250396728516 0.0109516161922676 126.711816 2 937