Mercurial > repos > workflow4metabolomics > ms2snoop
view test-data/smol/smol_precursors.tsv @ 7:2a1f120a6874 draft default tip
planemo upload commit d9b3849751af6f74e3371db0c3525dcd08728723
author | workflow4metabolomics |
---|---|
date | Tue, 10 Jan 2023 11:07:48 +0000 |
parents | 78d5a12406c2 |
children |
line wrap: on
line source
"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intb" "maxo" "sn" "egauss" "mu" "sigma" "h" "f" "dppm" "scale" "scpos" "scmin" "scmax" "lmin" "lmax" "sample" "cid" "filename" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" "purity_pass_flag" "4564" 715.163193376895 715.162902832031 715.163452148438 524.51703 511.854708 543.327408 68124392.5089524 68124360.1370324 2638633.25 2638632 NA NA NA NA 38407 0 7 654 647 661 640 675 1 4806 "112621-Mix-Std-pos.mzML" 1 3695 4365 4363 538.820364 715.163146972656 0.0648862237943271 539.100666 1 4365 TRUE "3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.63717989800486 5170 6086 6085 759.27156 610.185363769531 0.659247286043142 759.4143 1 6086 TRUE "3071" 394.567666424272 394.567504882812 394.567932128906 98.927796 91.498398 103.272444 10258819.5260393 10258806.91099 1065443.875 1065443 NA NA NA NA 38294 0 3 165 162 168 156 170 1 4281 "112621-Mix-Std-pos.mzML" 0.322880206760663 667 832 828 98.927796 394.567626953125 0.100036445655889 99.411954 1 832 FALSE "206" 113.963961784921 113.963935852051 113.963981628418 312.848688 310.268844 317.183886 38107087.5822459 38107079.8028237 5493645.5 5493644 NA NA NA NA 37820 0 3 414 411 417 411 419 1 3561 "112621-Mix-Std-pos.mzML" 1 2184 2602 2599 316.424484 113.963973999023 0.107175130059156 316.717326 1 2602 TRUE "1867" 282.279710845217 282.279632568359 282.279815673828 785.50848 780.32148 790.71504 78406181.3093126 78349103.2808207 18704088 3158 NA NA NA NA 38205 0 3 946 943 949 940 952 1 3894 "112621-Mix-Std-pos.mzML" 1 5383 6334 6330 789.80868 282.279663085938 0.169191329596414 790.32492 1 6334 TRUE "322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.404303077405988 598 752 751 89.860878 116.962188720703 0.387876361642145 89.997432 1 752 FALSE "3031" 394.567361056246 394.566467285156 394.567962646484 289.269234 281.878662 297.169194 8797786.29232762 8797770.15232162 748283.625 748283 NA NA NA NA 38294 0 5 387 382 392 378 396 1 4270 "112621-Mix-Std-pos.mzML" 0.271064477062517 2006 2394 2389 290.160234 394.567291259766 0.176893700377418 290.792616 1 2394 FALSE "488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5617 6715 6714 838.46994 124.087104797363 0.213699287089413 838.6065 1 6715 TRUE "355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.338543575508608 5143 6054 6050 755.0475 116.96208190918 0.682498283005308 755.44884 1 6054 FALSE "4996" 1402.38128314528 1402.38098144531 1402.38171386719 750.79302 745.90356 755.0475 259974026.717928 259943611.776948 78667160 12167 NA NA NA NA 38452 0 3 905 902 908 147 159 1 4983 "112621-Mix-Std-pos.mzML" 1 5084 5985 5980 747.75258 1402.38159179688 0.220091068376056 748.43424 1 5985 TRUE "4566" 715.163044710992 715.162902832031 715.163208007812 391.803024 387.392898 397.040682 24308831.4186101 24308820.8937548 3120463.25 3120462 NA NA NA NA 38407 0 3 505 502 508 500 511 1 4810 "112621-Mix-Std-pos.mzML" 1 2730 3239 3236 395.21133 715.163146972656 0.142990700243371 395.622456 1 3239 TRUE "733" 144.982283270068 144.982162475586 144.982330322266 286.85778 281.878662 291.055506 14678972.238126 14678962.2270235 2323583.75 2323583 NA NA NA NA 37944 0 3 384 381 387 378 389 1 3736 "112621-Mix-Std-pos.mzML" 0.717047067829164 1987 2372 2368 287.735154 144.982315063477 0.219291679700271 288.13074 1 2372 TRUE "4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1744 2089 2088 253.076724 710.207702636719 0.112872898058903 253.220274 1 2089 TRUE "3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.62852536180878 5206 6128 6127 764.58138 610.18505859375 0.159110769245975 764.724 1 6128 TRUE "2573" 369.352466686781 369.352294921875 369.352722167969 726.38172 717.16692 736.93266 16613225.937992 16397718.4802193 1921184.875 105 NA NA NA NA 35308 0 5 877 872 882 106 129 1 2772 "112621-Mix-Std-pos.mzML" 0.640405460471223 4949 5828 5826 728.0274 369.352294921875 0.465043344589304 728.2782 1 5828 TRUE "333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.381744202396618 1602 1923 1920 232.107048 116.962203979492 0.206309492610889 232.495704 1 1923 FALSE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.396414943756707 1432 1725 1724 208.319718 116.962158203125 0.180932312010379 208.456278 1 1725 FALSE "4525" 715.163153199607 715.162963867188 715.163269042969 458.08542 455.334072 461.547414 16006982.6382576 16006975.5372953 2579762 2579761 NA NA NA NA 38407 0 3 580 577 583 577 584 1 4803 "112621-Mix-Std-pos.mzML" 1 3150 3729 3726 457.172388 715.163146972656 0.00870703471835589 457.569102 1 3729 TRUE "57" 103.955790989587 103.955741882324 103.955825805664 501.017148 493.843572 510.931152 20345957.2315125 20345939.2445862 1281629.5 1281628 NA NA NA NA 37798 0 5 628 623 633 620 639 1 3426 "112621-Mix-Std-pos.mzML" 0.923076487831942 3469 4101 4097 504.584694 103.955772399902 0.178822986127829 505.073286 1 4101 TRUE "50" 103.955807429283 103.955764770508 103.955841064453 94.057464 88.163646 101.549862 15312302.3563009 15312288.1334464 1196229.125 1196228 NA NA NA NA 37798 0 5 159 154 164 152 168 1 3429 "112621-Mix-Std-pos.mzML" 0.817526731410752 595 748 744 89.014944 103.955810546875 0.0299895863201778 89.475972 1 748 TRUE "2220" 327.078672967418 327.078643798828 327.078765869141 715.45692 710.0616 719.81046 350128057.793686 350058423.835021 100996112 10932 NA NA NA NA 38225 0 3 864 861 867 858 869 1 3917 "112621-Mix-Std-pos.mzML" 0.966524057207381 4843 5704 5700 712.87494 327.078704833984 0.0974278337935015 713.37588 1 5704 TRUE "2633" 374.053696526901 374.053466796875 374.053863525391 125.852244 121.614252 129.193758 6560691.2788207 6560682.85714737 951157.9375 951157 NA NA NA NA 38257 0 3 197 194 200 192 201 1 4001 "112621-Mix-Std-pos.mzML" 0.353232587926249 836 1029 1024 122.451132 374.053466796875 0.614163227668957 123.068904 1 1029 FALSE "1409" 217.049928116644 217.049896240234 217.04997253418 553.95906 548.665956 559.185864 646074935.981345 646007115.415555 225960336 15375 NA NA NA NA 32724 0 3 687 684 690 99 111 1 1928 "112621-Mix-Std-pos.mzML" 0.0306853254592788 3810 4499 4496 555.62487 217.049926757812 0.00626045574153934 556.042554 1 4499 FALSE "2609" 374.053578387252 374.053253173828 374.0537109375 132.653454 129.193758 136.068306 5983092.27707775 5983084.54321125 896286.125 896285 NA NA NA NA 38257 0 3 205 202 208 201 209 1 3986 "112621-Mix-Std-pos.mzML" 0.410267137223006 919 1126 1122 134.228154 374.053619384766 0.109603317794862 134.737836 1 1126 FALSE "3388" 432.281055917378 432.280334472656 432.281341552734 303.264486 298.01736 308.491668 1649103.33249256 1393584.22459079 472281.84375 25 NA NA NA NA 16192 1 3 403 400 406 111 123 1 1101 "112621-Mix-Std-pos.mzML" 0.899423646036557 2096 2499 2494 303.264486 432.281036376953 0.0452030557254298 303.916338 1 2499 TRUE "4402" 710.20783813941 710.207641601562 710.208068847656 506.47773 503.70723 510.931152 38448250.0608547 38448241.9339425 5512657.5 5512656 NA NA NA NA 38402 0 3 634 631 637 631 639 1 4702 "112621-Mix-Std-pos.mzML" 1 3461 4092 4090 503.70723 710.207641601562 0.276732861771152 503.961108 1 4092 TRUE "4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1613 1936 1934 233.80287 710.207885742188 0.144946676978875 234.082578 1 1936 TRUE "4538" 715.163124261445 715.162902832031 715.163269042969 236.424492 231.264216 240.802224 32229168.1325188 32229157.7274192 3904604.75 3857496 NA NA NA NA 38407 0 3 326 323 329 320 331 1 4827 "112621-Mix-Std-pos.mzML" 1 1642 1970 1969 238.1697 715.163024902344 0.138932081166938 238.31352 1 1970 TRUE "2872" 383.059437103105 383.059295654297 383.059600830078 85.644996 82.395588 88.163646 3994570.02165908 3994563.42959279 702795.4375 702794 NA NA NA NA 38271 1 3 149 146 152 145 152 1 4226 "112621-Mix-Std-pos.mzML" 0.42246070523142 554 700 695 83.174088 383.059417724609 0.0505887433498227 83.765076 1 700 FALSE "344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.0468260969736919 4359 5139 5133 638.24256 116.962196350098 0.077530249353153 638.99784 1 5139 FALSE "329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.402191422217268 766 948 947 113.28465 116.962127685547 0.0302616369643334 113.421222 1 948 FALSE "337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.352995714505291 3910 4616 4615 570.959748 116.96215057373 0.341591099235825 571.186716 1 4616 FALSE "4413" 710.20781270561 710.207641601562 710.207885742188 329.251866 324.137736 337.831242 85968760.1147195 85968745.5653694 7593580 7593579 NA NA NA NA 38402 0 5 433 428 438 427 443 1 4677 "112621-Mix-Std-pos.mzML" 1 2267 2699 2697 328.502592 710.207824707031 0.0168984640187787 328.724766 1 2699 TRUE "4556" 715.163130766696 715.162963867188 715.163269042969 81.526746 77.414766 85.644996 11355827.8935088 11355818.8402558 1629340.75 1629340 NA NA NA NA 38407 0 3 144 141 147 139 149 1 4818 "112621-Mix-Std-pos.mzML" 1 535 678 674 80.665392 715.163208007812 0.108004892375192 81.170886 1 678 TRUE "315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.368623578201359 2707 3212 3208 391.803024 116.962142944336 0.0932982772446101 392.26071 1 3212 FALSE "1606" 247.060599522678 247.060546875 247.060729980469 556.55259 552.314838 560.971284 66100979.187508 66096408.0850012 24086330 9065 NA NA NA NA 27193 0 3 690 687 693 99 109 1 1680 "112621-Mix-Std-pos.mzML" 0.928139738843756 3798 4485 4482 553.95906 247.060729980469 0.528039642955693 554.303898 1 4485 TRUE "356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.346714122516589 4457 5254 5252 653.73192 116.962181091309 0.0092888007738686 653.96076 1 5254 FALSE "332" 116.962146721136 116.962127685547 116.962181091309 241.74447 237.332574 246.095598 26927574.6275436 26927564.9882172 3056984 3056983 NA NA NA NA 37831 0 3 332 329 335 327 337 1 3662 "112621-Mix-Std-pos.mzML" 0.155920939789341 1639 1966 1962 237.332574 116.96215057373 0.0329388168595468 237.78564 1 1966 FALSE "22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.925420354200302 4256 5019 5014 622.79316 103.955841064453 0.38649130025614 623.40792 1 5019 TRUE "2907" 383.059425135895 383.059204101562 383.059539794922 251.32227 242.607528 256.528452 5714729.15131996 5714714.36033821 554421.4375 554420 NA NA NA NA 38271 1 3 343 340 346 333 349 1 4217 "112621-Mix-Std-pos.mzML" 0.513764768669291 1749 2094 2088 253.076724 383.059478759766 0.13998838552616 253.87446 1 2094 TRUE "4401" 710.207638333574 710.207397460938 710.207946777344 275.757876 270.465306 281.004792 77863771.0065091 77863759.5887326 8063451 8063450 NA NA NA NA 38402 0 3 371 368 374 365 377 1 4695 "112621-Mix-Std-pos.mzML" 1 1912 2285 2284 277.461 710.207763671875 0.176481206856348 277.604556 1 2285 TRUE "347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.382897179929253 1729 2071 2067 250.462656 116.962120056152 0.176278039447469 250.940832 1 2071 FALSE "238" 113.963921810091 113.963897705078 113.963958740234 273.211956 265.202904 281.004792 88385887.0477654 88385870.3679948 5822680.5 5822680 NA NA NA NA 37820 0 5 368 363 373 359 377 1 3545 "112621-Mix-Std-pos.mzML" 0.946725147984213 1858 2222 2221 269.609082 113.963958740234 0.324051180980603 269.744838 1 2222 TRUE "1836" 279.207470302166 279.207397460938 279.208099365234 695.30382 691.61142 700.89192 3061455.19811414 3055977.74643346 1067472.875 222 NA NA NA NA 32753 0 3 842 839 845 99 109 1 1932 "112621-Mix-Std-pos.mzML" 0.874702021203913 4722 5563 5560 694.37538 279.207397460938 0.260885670619994 694.77858 1 5563 TRUE "1958" 292.040111167008 292.039764404297 292.040771484375 297.169194 292.765038 302.389542 2336185.90515266 2336176.28064866 627777 627776 NA NA NA NA 14682 1 3 396 393 399 99 110 1 987 "112621-Mix-Std-pos.mzML" 0.688575274546962 2053 2449 2445 297.169194 292.040069580078 0.142401432168874 297.637884 1 2449 TRUE "4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 647 809 807 96.520716 710.207946777344 0.27623683945847 96.734994 1 809 TRUE "2613" 374.05365139656 374.053436279297 374.053802490234 79.109688 73.366812 84.018864 9225955.94399325 9225944.47255263 1002017.0625 1002016 NA NA NA NA 38257 0 5 141 136 146 134 147 1 3992 "112621-Mix-Std-pos.mzML" 0.379791010961941 494 630 625 74.921088 374.053649902344 0.0039946575300319 75.488898 1 630 FALSE "334" 116.96214524191 116.962112426758 116.962188720703 795.90858 778.59498 803.67708 59029745.2292249 59029720.1471249 2598260.25 2598259 NA NA NA NA 37831 0 9 958 949 967 938 967 1 3628 "112621-Mix-Std-pos.mzML" 0.39862348610336 5416 6373 6372 795.08736 116.962127685547 0.150102953232937 795.22434 1 6373 FALSE "348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.381653864659946 2831 3357 3355 410.327964 116.96215057373 0.250005178498377 410.665686 1 3357 FALSE "342" 116.96218013444 116.96216583252 116.962196350098 674.91036 669.31818 680.36304 24456048.8107239 24456036.8454589 2179425.5 2179424 NA NA NA NA 37831 0 3 820 817 823 814 826 1 3640 "112621-Mix-Std-pos.mzML" 0.348905921905137 4606 5428 5427 676.7544 116.962196350098 0.138640175400191 676.89096 1 5428 FALSE "734" 144.982399994309 144.982360839844 144.982452392578 357.707424 344.631804 363.875304 27296541.5289374 27296521.4107329 1760190.25 1760189 NA NA NA NA 37944 0 7 466 459 473 451 473 1 3759 "112621-Mix-Std-pos.mzML" 0.69551181415178 2494 2964 2963 361.205952 144.982391357422 0.0595719713064696 361.342608 1 2964 TRUE "4412" 710.207094096135 710.206848144531 710.207336425781 750.79302 745.90356 755.8023 886567350.28498 886567339.624799 176495312 176495311 NA NA NA NA 38402 1 3 905 902 908 899 912 1 4665 "112621-Mix-Std-pos.mzML" 1 5111 6017 6015 751.4634 710.207092285156 0.00254993076009463 751.68552 1 6017 TRUE "4404" 710.207866106661 710.207641601562 710.208068847656 524.51703 512.774208 542.422032 145266940.692517 145266910.146274 5711099.5 5711098 NA NA NA NA 38402 0 7 654 647 661 641 674 1 4678 "112621-Mix-Std-pos.mzML" 1 3523 4164 4160 512.774208 710.2080078125 0.19952727287769 513.285108 1 4164 TRUE "321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.334206321764009 3790 4476 4475 553.12566 116.962112426758 0.150835930480784 553.261434 1 4476 FALSE "4199" 693.180981452861 693.180786132812 693.181213378906 214.338342 208.319718 224.22357 121493668.381446 121491410.544332 8945573 14831 NA NA NA NA 38392 0 3 300 297 303 293 312 1 4532 "112621-Mix-Std-pos.mzML" 1 1495 1798 1794 216.928968 693.180603027344 0.545925994731238 217.33335 1 1798 TRUE "22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.886911026752811 4380 5164 5161 641.9199 103.95580291748 0.0195375340308081 642.27804 1 5164 TRUE "757" 144.982360884806 144.982315063477 144.982406616211 275.757876 272.357532 281.878662 13662813.2190113 13662802.832324 1673273 1673272 NA NA NA NA 37944 0 3 371 368 374 367 378 1 3757 "112621-Mix-Std-pos.mzML" 0.626071427552293 1944 2322 2319 281.878662 144.982376098633 0.104935709362653 282.245808 1 2322 TRUE "4397" 710.20780640617 710.207702636719 710.207946777344 383.029206 378.759876 387.392898 53885926.0693895 53885916.5730653 6858280.5 6858280 NA NA NA NA 38402 0 3 495 492 498 490 500 1 4697 "112621-Mix-Std-pos.mzML" 1 2629 3121 3117 380.46042 710.207946777344 0.197648030381449 380.992632 1 3121 TRUE "3350" 424.364331538799 424.364135742188 424.364501953125 742.3614 736.93266 750.14112 5742056.84399712 5555332.95456243 974200.5 67 NA NA NA NA 35373 1 3 895 892 898 108 123 1 2797 "112621-Mix-Std-pos.mzML" 0.9123624048484 5042 5936 5931 741.43536 424.364318847656 0.0299062438576175 742.1043 1 5936 TRUE "3481" 449.108697685258 449.108581542969 449.108734130859 324.137736 318.912522 329.251866 320697560.060326 320669478.462338 77511800 9226 NA NA NA NA 33080 0 3 427 424 430 116 128 1 1995 "112621-Mix-Std-pos.mzML" 1 2242 2670 2669 324.954906 449.108673095703 0.0547519016963293 325.095972 1 2670 TRUE "1806" 275.995981890743 275.995849609375 275.996520996094 297.169194 293.642508 302.389542 3963281.52566764 3963272.77863364 1213663.75 1213663 NA NA NA NA 14644 1 3 396 393 399 99 109 1 984 "112621-Mix-Std-pos.mzML" 0.648780371646998 2046 2441 2438 296.314356 275.995849609375 0.47928729687923 296.678556 1 2441 TRUE "31" 103.955806038911 103.955787658691 103.95581817627 155.683884 148.811682 160.710288 14219056.418962 14219043.6704556 1230945.125 1230944 NA NA NA NA 37798 0 3 232 229 235 224 238 1 3413 "112621-Mix-Std-pos.mzML" 0.851974812328093 1056 1286 1283 153.922452 103.955810546875 0.043364231354581 154.315914 1 1286 TRUE "4165" 684.490741687655 684.490173339844 684.492797851562 662.92254 653.73192 673.09554 3390025.88961322 3351899.79848277 565048.9375 71 NA NA NA NA 32891 0 5 807 802 812 97 118 1 1944 "112621-Mix-Std-pos.mzML" 1 4525 5333 5329 663.81 684.49072265625 0.0278037428669744 664.34292 1 5333 TRUE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.366609995397074 3296 3899 3894 478.540644 116.962127685547 0.296576117904318 479.16063 1 3899 FALSE "4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2923 3464 3460 423.787032 693.181335449219 0.396151752031903 424.195992 1 3464 TRUE "218" 113.963944505501 113.963897705078 113.963996887207 82.395588 65.072832 104.019576 331015816.912758 331015777.13736 9965558 9965557 NA NA NA NA 37820 0 21 145 124 166 124 171 1 3528 "112621-Mix-Std-pos.mzML" 1 646 808 807 96.520716 113.963973999023 0.2587969647642 96.656472 1 808 TRUE "4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3962 4676 4671 578.254668 710.208190917969 0.331392586063329 578.911968 1 4676 TRUE "355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.163378811889061 5207 6129 6127 764.58138 116.962127685547 0.291120708341812 764.8521 1 6129 FALSE "4408" 710.207726745564 710.207580566406 710.207885742188 391.803024 387.392898 397.040682 60477283.9831876 60477273.4583324 7560990.5 7560990 NA NA NA NA 38402 0 3 505 502 508 500 511 1 4675 "112621-Mix-Std-pos.mzML" 1 2722 3230 3229 394.382586 710.207641601562 0.119886054029119 394.526154 1 3230 TRUE "4403" 710.207874990055 710.207458496094 710.208190917969 163.306758 159.017412 166.73346 51887004.5907358 51886996.0173491 7439013.5 7439012 NA NA NA NA 38402 0 3 241 238 244 236 245 1 4673 "112621-Mix-Std-pos.mzML" 1 1109 1348 1346 161.65629 710.207763671875 0.156740278437863 161.870592 1 1348 TRUE "323" 116.962170026759 116.962135314941 116.962196350098 101.549862 95.702622 106.589628 53008744.699221 53008732.974753 4921296 4921295 NA NA NA NA 37831 0 3 168 165 171 161 174 1 3643 "112621-Mix-Std-pos.mzML" 0.335821622849668 694 864 863 103.272444 116.962188720703 0.159828980181257 103.408206 1 864 FALSE "4330" 695.187145076603 695.186828613281 695.1875 750.79302 745.90356 755.0475 221279733.048096 221279723.142161 67561832 67561831 NA NA NA NA 38397 1 3 905 902 908 899 911 1 4618 "112621-Mix-Std-pos.mzML" 0.912557953576007 5102 6006 6001 750.14112 695.187255859375 0.15935676093791 750.60582 1 6006 TRUE "354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.404956561660579 850 1046 1045 125.055276 116.962158203125 0.0955995306648246 125.191848 1 1046 FALSE "98" 105.954040684441 105.954002380371 105.954086303711 667.53198 666.6102 717.16692 20440029.3141386 20439977.8382055 510531.6875 495506 NA NA NA NA 37801 0 33 812 779 845 811 866 1 3457 "112621-Mix-Std-pos.mzML" 0.502660629044656 4753 5599 5595 699.04716 105.954071044922 0.286543865474942 699.5691 1 5599 TRUE "3133" 396.067325395119 396.066986083984 396.067504882812 60.188688 55.077309 68.372388 9645026.71844004 9645012.5924186 872730.1875 872729 NA NA NA NA 38298 1 3 118 115 121 112 128 1 4390 "112621-Mix-Std-pos.mzML" 0.321663464656378 379 496 492 59.2672884 396.067138671875 0.471443191774303 59.8038828 1 496 FALSE "765" 144.98238747247 144.982330322266 144.982452392578 527.222316 516.454506 537.957192 29920064.9133821 29920042.5147509 1840150.75 1840150 NA NA NA NA 37944 0 5 657 652 662 645 669 1 3752 "112621-Mix-Std-pos.mzML" 0.652227827161827 3557 4204 4202 518.240832 144.982437133789 0.342533460042108 518.50101 1 4204 TRUE "4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2872 3405 3404 416.71494 693.181213378906 0.220050125205411 416.858514 1 3405 TRUE "344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.34717651053437 4349 5128 5126 637.32966 116.962181091309 0.0529289137070573 637.5945 1 5128 FALSE "4382" 710.207749017063 710.207580566406 710.207946777344 471.499392 467.847138 476.768292 47921869.7726192 47921859.9593498 5577807 5577806 NA NA NA NA 38402 0 3 595 592 598 591 601 1 4700 "112621-Mix-Std-pos.mzML" 1 3269 3868 3866 474.95445 710.207885742188 0.192514266822352 475.226754 1 3868 TRUE "4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 83 151 149 20.9739168 710.210388183594 3.53089755294162 21.247062 1 151 TRUE "339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.383082614868761 1890 2259 2256 274.127454 116.962127685547 0.0696536830755821 274.427862 1 2259 FALSE "4211" 693.181133983834 693.181030273438 693.181213378906 236.424492 232.107048 240.802224 67689003.5819592 67687713.5961001 8601567 14261 NA NA NA NA 38392 0 3 326 323 329 321 331 1 4556 "112621-Mix-Std-pos.mzML" 1 1636 1963 1962 237.332574 693.181213378906 0.11453726678807 237.476148 1 1963 TRUE "1190" 185.115254743378 185.115203857422 185.115356445312 378.759876 373.5327 384.725832 32513761.3345122 32178467.7638941 6390080 280 NA NA NA NA 21368 0 3 490 487 493 199 212 1 1460 "112621-Mix-Std-pos.mzML" 0.916565867543729 2633 3126 3124 381.371376 185.115356445312 0.54939791379211 381.597048 1 3126 TRUE "4206" 693.181109785817 693.180969238281 693.181213378906 464.282118 461.547414 467.847138 40208408.2616064 40207437.2434352 6181405.5 10248 NA NA NA NA 38392 0 3 587 584 590 584 591 1 4560 "112621-Mix-Std-pos.mzML" 1 3209 3798 3796 466.161846 693.18115234375 0.0613951135457291 466.403694 1 3798 TRUE "4553" 715.16327387486 715.1630859375 715.163452148438 439.699512 425.44404 447.570012 49539923.7517714 49539900.7407605 2810780.5 2810780 NA NA NA NA 38407 0 5 559 554 564 543 568 1 4811 "112621-Mix-Std-pos.mzML" 1 2983 3534 3530 432.596238 715.163146972656 0.177445078863584 433.12029 1 3534 TRUE "3034" 394.567626182733 394.567413330078 394.56787109375 357.707424 341.138448 378.759876 18207588.7017688 18207550.2054239 670660.1875 670659 NA NA NA NA 38294 0 9 466 457 475 447 490 1 4264 "112621-Mix-Std-pos.mzML" 0.255620317264158 2377 2827 2823 343.708554 394.567687988281 0.156641205667215 344.241276 1 2827 FALSE "4375" 710.207688488933 710.207580566406 710.207824707031 553.95906 548.665956 560.971284 72303292.9236955 72303279.7394155 7333526.5 7333526 NA NA NA NA 38402 0 3 687 684 690 681 695 1 4664 "112621-Mix-Std-pos.mzML" 1 3778 4462 4461 551.453646 710.207824707031 0.191800371393638 551.597196 1 4462 TRUE "2246" 327.078663103214 327.078491210938 327.078826904297 125.852244 120.833574 130.063452 15470380.9107755 15404453.9261706 1717773.375 185 NA NA NA NA 38225 0 3 197 194 200 191 202 1 3928 "112621-Mix-Std-pos.mzML" 0.823524656642563 881 1082 1080 129.193758 327.078735351562 0.22088982536065 129.460284 1 1082 TRUE "4214" 693.181157815947 693.178527832031 693.184814453125 36.7767408 14.605428 89.014944 388730004.956953 388721177.365676 8732336 14428 NA NA NA NA 38392 0 23 89 66 112 45 153 1 4520 "112621-Mix-Std-pos.mzML" 1 544 689 688 82.395588 693.181091308594 0.0959451262806887 82.5393 1 689 TRUE "747" 144.98238800055 144.982315063477 144.982437133789 181.354044 175.26021 198.86109 27199032.79674 27199008.3217533 1563392.625 1563392 NA NA NA NA 37944 0 7 262 255 269 255 282 1 3755 "112621-Mix-Std-pos.mzML" 0.579840332818029 1267 1532 1528 183.95202 144.982360839844 0.187337966857883 184.482492 1 1532 TRUE "3480" 449.108589217265 449.108489990234 449.108825683594 379.585746 374.449284 384.725832 45210875.9047694 45182964.860351 10777759 1283 NA NA NA NA 33080 0 3 491 488 494 180 192 1 1996 "112621-Mix-Std-pos.mzML" 1 2614 3104 3103 378.759876 449.108489990234 0.22094217927393 378.900462 1 3104 TRUE "4880" 1059.2838338896 1059.28332519531 1059.28625488281 782.00022 774.15558 789.80868 49683219.2127502 49481264.532382 13998240 614 NA NA NA NA 38438 0 5 942 937 947 124 142 1 4966 "112621-Mix-Std-pos.mzML" 1 5311 6250 6246 779.52714 1059.2841796875 0.32644498568331 779.98104 1 6250 TRUE "2618" 374.05367731572 374.053375244141 374.053924560547 109.899096 95.702622 121.614252 21384629.3922815 21384602.6447925 946315.0625 946314 NA NA NA NA 38257 0 9 178 169 187 161 192 1 3979 "112621-Mix-Std-pos.mzML" 0.20834647801381 716 889 884 105.71427 374.053466796875 0.562803837268616 106.33677 1 889 FALSE "339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.35598477841429 1918 2292 2291 278.368002 116.962173461914 0.321723978265167 278.5038 1 2292 FALSE "4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 311 417 415 50.186412 710.2080078125 0.17924353858056 50.42454 1 417 TRUE "4220" 693.181231587142 693.181091308594 693.181335449219 691.61142 685.09428 710.0616 79606208.1134132 79602716.0663987 3837063.75 5708 NA NA NA NA 38392 0 5 838 833 843 831 858 1 4553 "112621-Mix-Std-pos.mzML" 1 4708 5547 5546 692.53764 693.181213378906 0.0262676414374238 692.68134 1 5547 TRUE "4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4216 4973 4972 617.43048 693.181030273438 0.393490043252881 617.57412 1 4973 TRUE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.405861137456563 1228 1487 1486 178.789086 116.96216583252 0.115702726065186 178.926006 1 1487 FALSE "2634" 374.053770666689 374.053588867188 374.053955078125 165.868284 159.017412 172.739286 10030019.9074216 10030005.3279305 822166.25 809636 NA NA NA NA 38257 0 5 244 239 249 236 252 1 3987 "112621-Mix-Std-pos.mzML" 0.415535065989667 1135 1378 1374 165.010788 374.053833007812 0.166663533884933 165.489042 1 1378 FALSE "3016" 393.298192984333 393.297668457031 393.29833984375 801.0522 790.71504 803.67708 9839953.24976292 9629139.21854535 3006234.5 59 NA NA NA NA 38288 1 7 964 957 971 143 158 1 4256 "112621-Mix-Std-pos.mzML" 0.661214491243321 5457 6420 6414 800.22426 393.29833984375 0.373404758617247 800.9307 1 6420 TRUE "2261" 328.081903906798 328.081817626953 328.082153320312 715.45692 710.0616 720.61788 71690699.3946348 69603719.8421907 19438350 171 NA NA NA NA 35387 0 3 864 861 867 389 401 1 2801 "112621-Mix-Std-pos.mzML" 0.101552932605439 4880 5747 5742 718.02834 328.082153320312 0.760217223935449 718.69344 1 5747 FALSE "4380" 710.20799205079 710.207824707031 710.208129882812 692.53764 684.18426 700.89192 57090633.9266101 57090616.2907468 3776938.5 3776938 NA NA NA NA 38402 0 3 839 836 842 830 848 1 4690 "112621-Mix-Std-pos.mzML" 1 4736 5579 5574 696.32448 710.2080078125 0.0221930901042136 696.95046 1 5579 TRUE "2648" 374.053877056063 374.053588867188 374.054321289062 50.9907312 42.3008058 55.077309 9773498.74072855 9773485.1656939 991358.3125 991357 NA NA NA NA 38257 1 3 107 104 110 96 112 1 3991 "112621-Mix-Std-pos.mzML" 0.389090991655986 326 434 429 51.7259328 374.053802490234 0.199345157508537 52.2494418 1 434 FALSE "816" 149.02357433641 149.023544311523 149.023620605469 801.0522 793.34184 803.67708 12247777.5615636 11720470.4475592 4091458.75 74 NA NA NA NA 37957 0 5 964 959 969 955 967 1 3784 "112621-Mix-Std-pos.mzML" 0.950947358208986 5470 6436 6435 802.74474 149.023559570312 0.0990856511867104 802.8813 1 6436 TRUE "4223" 693.181165098464 693.180908203125 693.181335449219 524.51703 512.774208 536.134206 126269518.64156 126266246.914207 6302692 10449 NA NA NA NA 38392 0 7 654 647 661 641 667 1 4536 "112621-Mix-Std-pos.mzML" 1 3620 4277 4272 527.222316 693.180908203125 0.370603460867395 527.87229 1 4277 TRUE "225" 113.963977856763 113.963935852051 113.96403503418 637.32966 630.10008 643.68042 28209601.016988 28209586.531292 2126513 2126512 NA NA NA NA 37820 0 5 779 774 784 771 786 1 3543 "112621-Mix-Std-pos.mzML" 0.82010562204828 4336 5113 5112 635.53026 113.963996887207 0.166986486249857 635.7027 1 5113 TRUE "357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.359874287065227 3539 4183 4181 515.475258 116.96216583252 0.111963603647142 515.80995 1 4183 FALSE "3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.634020511406054 5040 5934 5931 741.43536 610.185424804688 0.759274589402576 741.84324 1 5934 TRUE "2641" 374.053783752847 374.053619384766 374.053924560547 68.372388 61.866096 73.366812 10612101.8829139 10612089.5607182 1005393.75 1005393 NA NA NA NA 38257 0 3 128 125 131 120 134 1 3976 "112621-Mix-Std-pos.mzML" 0.326176609350348 452 581 576 69.131742 374.053924560547 0.376437041511877 69.705546 1 581 FALSE "1259" 195.087832063833 195.087799072266 195.087921142578 285.24963 280.127796 290.160234 2240665405.13667 2239910904.40754 799110400 13533 NA NA NA NA 35267 0 3 382 379 385 376 388 1 2743 "112621-Mix-Std-pos.mzML" 0.777089322217041 1990 2376 2375 288.479358 195.087890625 0.300178470621668 288.617286 1 2376 TRUE "2247" 327.078686752695 327.07861328125 327.078735351562 329.251866 318.071964 338.639574 32206344.5516498 32066065.9957331 1750592.25 189 NA NA NA NA 38225 0 5 433 428 438 420 444 1 3923 "112621-Mix-Std-pos.mzML" 0.84234845348595 2270 2702 2697 328.502592 327.078735351562 0.148584636587005 328.99143 1 2702 TRUE "4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 130 206 205 26.947614 710.2080078125 0.17924353858056 27.091191 1 206 TRUE "4401" 710.207638333574 710.207397460938 710.207946777344 275.757876 270.465306 281.004792 77863771.0065091 77863759.5887326 8063451 8063450 NA NA NA NA 38402 0 3 371 368 374 365 377 1 4695 "112621-Mix-Std-pos.mzML" 1 1907 2279 2277 276.606558 710.207397460938 0.33915804810756 276.886278 1 2279 TRUE "4409" 710.207821165251 710.207641601562 710.2080078125 418.433382 412.955484 423.787032 66393082.797041 66393071.062864 6504401.5 6504400 NA NA NA NA 38402 0 3 535 532 538 529 541 1 4674 "112621-Mix-Std-pos.mzML" 1 2885 3420 3418 418.433382 710.207885742188 0.0909268169505335 418.669536 1 3420 TRUE "736" 144.982386014974 144.982360839844 144.982421875 463.394352 459.868926 466.161846 9434161.37134283 9434154.17943426 1738545.5 1738544 NA NA NA NA 37944 0 3 586 583 589 582 589 1 3773 "112621-Mix-Std-pos.mzML" 0.67473047416633 3191 3777 3775 463.394352 144.982360839844 0.17364268148378 463.634046 1 3777 TRUE "354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.346803879146968 905 1110 1108 132.653454 116.962173461914 0.226058738631332 132.86775 1 1110 FALSE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.373202077555698 3252 3848 3845 472.384992 116.96215057373 0.100887331640132 472.746858 1 3848 FALSE "4400" 710.207968051065 710.207885742188 710.208129882812 610.96128 607.36614 615.54048 36795343.7435601 36795334.6609601 4733690 4733689 NA NA NA NA 38402 0 3 750 747 753 746 755 1 4704 "112621-Mix-Std-pos.mzML" 1 4186 4938 4937 612.80958 710.207946777344 0.0299542138581149 612.95316 1 4938 TRUE "4406" 710.207752895201 710.207580566406 710.208068847656 409.42371 405.96453 412.955484 42947349.4388729 42947341.5740497 7164001 7164000 NA NA NA NA 38402 0 3 525 522 528 521 529 1 4698 "112621-Mix-Std-pos.mzML" 1 2837 3364 3362 411.31788 710.208068847656 0.444873284019562 411.540048 1 3364 TRUE "731" 144.982385948211 144.982345581055 144.982421875 304.91706 298.828638 309.36126 14360564.3475178 14360552.9371773 1481448.75 1472165 NA NA NA NA 37944 0 3 405 402 408 398 410 1 3758 "112621-Mix-Std-pos.mzML" 0.579374158518039 2071 2470 2466 299.664606 144.982391357422 0.0373094320247249 300.155676 1 2470 TRUE "4557" 715.163245994593 715.162841796875 715.163635253906 168.490284 153.922452 205.637148 155371922.803392 155371870.226785 3931852.25 3619950 NA NA NA NA 38407 0 9 247 238 256 230 290 1 4799 "112621-Mix-Std-pos.mzML" 1 1246 1508 1507 181.354044 715.1630859375 0.223804975869056 181.497762 1 1508 TRUE "4996" 1402.38128314528 1402.38098144531 1402.38171386719 750.79302 745.90356 755.0475 259974026.717928 259943611.776948 78667160 12167 NA NA NA NA 38452 0 3 905 902 908 147 159 1 4983 "112621-Mix-Std-pos.mzML" 1 5134 6044 6043 754.30062 1402.38171386719 0.307136092412757 754.4526 1 6044 TRUE "4098" 661.229136209068 661.228942871094 661.230773925781 756.64734 752.1678 761.94114 23637947.4303767 23599788.3578963 6671839.5 463 NA NA NA NA 38376 0 3 913 910 916 100 112 1 4501 "112621-Mix-Std-pos.mzML" 1 5142 6053 6050 755.0475 661.229309082031 0.261441841193373 755.36622 1 6053 TRUE "760" 144.982397984665 144.982376098633 144.982421875 677.67456 669.31818 681.3981 14526905.1981542 14526892.1890096 1475355.125 1475354 NA NA NA NA 37944 0 3 823 820 826 814 827 1 3753 "112621-Mix-Std-pos.mzML" 0.642280797591784 4578 5395 5392 672.19974 144.982391357422 0.0457106733708016 672.5997 1 5395 TRUE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.407601158558771 1186 1438 1437 172.739286 116.962158203125 0.180932312010379 172.875858 1 1438 FALSE "4406" 710.207752895201 710.207580566406 710.208068847656 409.42371 405.96453 412.955484 42947349.4388729 42947341.5740497 7164001 7164000 NA NA NA NA 38402 0 3 525 522 528 521 529 1 4698 "112621-Mix-Std-pos.mzML" 1 2807 3329 3327 406.774884 710.207641601562 0.156705749732615 407.011398 1 3329 TRUE "227" 113.963941071017 113.963912963867 113.963958740234 384.725832 379.585746 393.565728 67986360.4266132 67986345.5728823 5275277 5055502 NA NA NA NA 37820 0 3 497 494 500 491 507 1 3542 "112621-Mix-Std-pos.mzML" 1 2680 3181 3180 388.244604 113.963958740234 0.155042178158919 388.380354 1 3181 TRUE "4371" 710.207915078387 710.207824707031 710.2080078125 152.201832 148.811682 159.017412 60563212.2858543 60563201.2296468 7517159 6793940 NA NA NA NA 38402 0 3 228 225 231 224 236 1 4694 "112621-Mix-Std-pos.mzML" 1 1067 1299 1297 155.683884 710.207946777344 0.0446333469261991 155.91084 1 1299 TRUE "316" 116.962201680586 116.962181091309 116.962219238281 688.87824 684.18426 693.46494 20469225.1182179 20469214.9094699 2075236.75 2075236 NA NA NA NA 37831 0 3 835 832 838 830 840 1 3671 "112621-Mix-Std-pos.mzML" 0.338380938885308 4703 5541 5539 691.61142 116.962211608887 0.0848846947262595 691.8819 1 5541 FALSE "3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.228430081364901 123 197 191 25.2168768 396.067443847656 0.187040269309961 25.9998774 1 197 FALSE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.363408770179544 3376 3993 3992 491.188692 116.962142944336 0.166116927061528 491.324448 1 3993 FALSE "4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2182 2600 2599 316.424484 693.181335449219 0.335417085766935 316.568112 1 2600 TRUE "3998" 611.185654776182 611.183288574219 611.186157226562 755.8023 727.14594 791.62044 51758849.5384146 51677611.5011119 2364935.5 491 NA NA NA NA 38369 0 15 912 897 927 92 167 1 4494 "112621-Mix-Std-pos.mzML" 0.359279940144375 5219 6143 6141 766.3473 611.186096191406 0.722227723412722 766.62492 1 6143 FALSE "240" 113.963971837622 113.96395111084 113.964004516602 23.072232 20.9739168 28.346406 78716833.1900279 78716825.8175387 15646300 15646299 NA NA NA NA 37820 0 3 71 68 74 68 78 1 3521 "112621-Mix-Std-pos.mzML" 1 137 214 212 27.67011 113.963981628418 0.0859113270509178 27.877479 1 214 TRUE "20" 103.955754309517 103.95573425293 103.955780029297 553.95906 548.665956 560.076294 14373521.644514 14373509.3564577 1420826.875 1420826 NA NA NA NA 37798 0 3 687 684 690 681 694 1 3409 "112621-Mix-Std-pos.mzML" 0.86348155153168 3800 4487 4482 553.95906 103.955764770508 0.100629258166757 554.52915 1 4487 TRUE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.15157919886541 3363 3977 3971 488.42733 116.962173461914 0.0948014546240532 489.17445 1 3977 FALSE "4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1702 2040 2039 246.991656 710.207885742188 0.144946676978875 247.135338 1 2040 TRUE "4227" 693.181099185288 693.180786132812 693.181457519531 782.88768 757.56852 789.80868 336913447.584142 336908981.84914 15591062 20983 NA NA NA NA 38392 0 5 943 938 948 914 951 1 4554 "112621-Mix-Std-pos.mzML" 1 5182 6100 6099 761.15934 693.181091308594 0.011363111797728 761.30298 1 6100 TRUE "4386" 710.207885448854 710.207702636719 710.208129882812 602.86446 599.113272 607.36614 39322610.2603795 39322601.0905262 4973567 4973566 NA NA NA NA 38402 0 3 741 738 744 737 746 1 4679 "112621-Mix-Std-pos.mzML" 1 4150 4896 4895 607.36614 710.208129882812 0.344172408260825 607.51008 1 4896 TRUE "1158" 181.049905887963 181.049850463867 181.04997253418 297.169194 291.949002 302.389542 24728891.380253 24712502.3002657 7461554 1428 NA NA NA NA 15435 0 3 396 393 399 101 113 1 1012 "112621-Mix-Std-pos.mzML" 0.788013803007409 2040 2434 2431 295.317858 181.049850463867 0.306126070298489 295.827492 1 2434 TRUE "2885" 383.059439897912 383.058959960938 383.059692382812 180.522438 171.877686 190.116966 9165795.31229356 9165776.20447642 624281.3125 624280 NA NA NA NA 38271 1 7 261 254 268 251 272 1 4214 "112621-Mix-Std-pos.mzML" 0.418564603804626 1257 1520 1514 182.197212 383.059631347656 0.499791219753426 182.949402 1 1520 FALSE "2060" 303.050314920609 303.050231933594 303.050415039062 338.639574 333.568596 343.708554 50766097.2318378 50345859.7428433 14614954 320 NA NA NA NA 21377 0 3 444 441 447 110 122 1 1462 "112621-Mix-Std-pos.mzML" 1 2331 2773 2767 337.003992 303.050262451172 0.173137709089927 337.715334 1 2773 TRUE "238" 113.963921810091 113.963897705078 113.963958740234 273.211956 265.202904 281.004792 88385887.0477654 88385870.3679948 5822680.5 5822680 NA NA NA NA 37820 0 5 368 363 373 359 377 1 3545 "112621-Mix-Std-pos.mzML" 1 1894 2264 2263 274.911558 113.963905334473 0.144568719690639 275.047296 1 2264 TRUE "4219" 693.181138297036 693.180908203125 693.181335449219 492.9333 492.052896 510.062322 99371586.8515606 99369036.4823449 6344564.5 10758 NA NA NA NA 38392 0 9 619 610 628 618 638 1 4531 "112621-Mix-Std-pos.mzML" 1 3409 4031 4027 495.637944 693.181213378906 0.108314936106259 496.160052 1 4031 TRUE "329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.415386743717238 744 922 919 109.899096 116.962120056152 0.0349679797765626 110.248374 1 922 FALSE "4377" 710.207917362056 710.207641601562 710.208129882812 145.303482 141.988224 148.811682 43046662.0338192 43046654.357429 6733165.5 6733164 NA NA NA NA 38402 0 3 220 217 223 216 224 1 4693 "112621-Mix-Std-pos.mzML" 1 1021 1245 1241 148.811682 710.2080078125 0.127357695577025 149.334606 1 1245 TRUE "4396" 710.208062830601 710.2080078125 710.208190917969 721.36992 717.16692 728.87604 196096142.030539 196096129.485053 22701068 22701067 NA NA NA NA 38402 0 3 871 868 874 866 880 1 4676 "112621-Mix-Std-pos.mzML" 1 4918 5792 5791 723.8043 710.208068847656 0.00847224283342838 723.9483 1 5792 TRUE "354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.348384173895008 821 1012 1010 120.833574 116.962127685547 0.165318885268191 121.080978 1 1012 FALSE "341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.356746011005964 3713 4386 4384 541.61034 116.96216583252 0.110746121921202 541.822764 1 4386 FALSE "349" 116.962171549122 116.96215057373 116.962203979492 23.072232 20.9739168 31.342587 138659625.201728 138659614.833058 22391264 22391263 NA NA NA NA 37831 0 3 71 68 74 68 82 1 3623 "112621-Mix-Std-pos.mzML" 0.361467695559126 91 160 156 21.743979 116.962203979492 0.277272301515856 22.1579112 1 160 FALSE "2192" 325.228070675061 325.227813720703 325.228393554688 463.394352 454.516188 472.384992 3180386.16289659 3002538.85012479 454465.84375 29 NA NA NA NA 25956 1 5 586 581 591 103 123 1 1573 "112621-Mix-Std-pos.mzML" 0.769160437466468 3182 3766 3761 461.547414 325.227935791016 0.414736787635341 462.202116 1 3766 TRUE "746" 144.982384778599 144.982360839844 144.982421875 403.283502 398.836758 408.509862 15082648.4160908 15082637.8636137 1677663.5 1624507 NA NA NA NA 37944 0 3 518 515 521 513 524 1 3762 "112621-Mix-Std-pos.mzML" 0.710120678540077 2783 3301 3299 403.283502 144.982360839844 0.165114920297425 403.530534 1 3301 TRUE "203" 113.963922058726 113.963874816895 113.96395111084 553.95906 539.728242 570.959748 95293093.2651581 95293061.1413234 3581952 3581951 NA NA NA NA 37820 0 9 687 678 696 671 706 1 3525 "112621-Mix-Std-pos.mzML" 0.943022187135054 3748 4427 4426 546.946512 113.963928222656 0.0540866813414404 547.082268 1 4427 TRUE "603" 128.950973211022 128.950942993164 128.95100402832 26.947614 20.9739168 38.256057 25223656.1741234 24070385.2043973 1843882.25 17 NA NA NA NA 35357 0 7 76 69 83 68 91 1 2793 "112621-Mix-Std-pos.mzML" 0.501191998802482 205 293 289 35.937783 128.950988769531 0.120654450220799 36.4187538 1 293 TRUE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.400606618669895 1060 1291 1290 154.791828 116.962158203125 0.180932312010379 154.928394 1 1291 FALSE "3218" 403.233097391868 403.230987548828 403.234405517578 735.94002 732.43626 747.75258 4370259.67311466 4362788.10924593 1639220.75 486 NA NA NA NA 34396 2 9 888 879 897 99 116 1 2384 "112621-Mix-Std-pos.mzML" 1 4993 5879 5875 734.22564 403.233459472656 0.897944118372502 734.71386 1 5879 TRUE "4201" 693.181063963467 693.180847167969 693.181396484375 409.42371 405.96453 412.955484 49712132.5319995 49711071.8068784 7844190 13005 NA NA NA NA 38392 0 3 525 522 528 521 529 1 4559 "112621-Mix-Std-pos.mzML" 1 2822 3346 3341 408.509862 693.181030273438 0.0486020632420433 409.163766 1 3346 TRUE "2738" 375.553885959998 375.553558349609 375.554443359375 777.71676 758.39742 782.00022 8997499.82843472 8997475.35145695 560726.9375 469660 NA NA NA NA 38261 1 5 937 932 942 915 942 1 4118 "112621-Mix-Std-pos.mzML" 0.240419118927225 5295 6231 6225 776.85078 375.553649902344 0.628558677587231 777.59436 1 6231 FALSE "4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2077 2477 2473 300.53421 710.207885742188 0.0955745061646433 301.085634 1 2477 TRUE "3734" 526.432357092137 526.43212890625 526.432922363281 753.60036 748.67412 760.16316 15767541.1307947 15539392.8144721 2453806.5 111 NA NA NA NA 38357 1 3 909 906 912 315 330 1 4476 "112621-Mix-Std-pos.mzML" 0.740326171193344 5127 6035 6029 752.91954 526.43212890625 0.43345718377601 753.48924 1 6035 TRUE "4529" 715.163129783174 715.163024902344 715.163330078125 451.892196 447.570012 455.334072 18093555.7513041 18093547.1245708 2544287.25 2544286 NA NA NA NA 38407 0 3 573 570 576 568 577 1 4833 "112621-Mix-Std-pos.mzML" 1 3132 3708 3705 454.516188 715.163146972656 0.0240357502534499 454.848828 1 3708 TRUE "4549" 715.163017890669 715.162902832031 715.163146972656 481.283196 476.768292 485.760828 21805964.239036 21805954.3472464 2565679.5 2565678 NA NA NA NA 38407 0 3 606 603 609 601 611 1 4816 "112621-Mix-Std-pos.mzML" 1 3319 3926 3922 482.211798 715.163024902344 0.00980430238740931 482.675154 1 3926 TRUE "4223" 693.181165098464 693.180908203125 693.181335449219 524.51703 512.774208 536.134206 126269518.64156 126266246.914207 6302692 10449 NA NA NA NA 38392 0 7 654 647 661 641 667 1 4536 "112621-Mix-Std-pos.mzML" 1 3577 4227 4223 520.947258 693.181091308594 0.106451060356064 521.45874 1 4227 TRUE "4544" 715.163200284316 715.163024902344 715.163513183594 602.86446 598.207896 607.36614 17742838.605928 17742828.5318596 2103129.5 2103128 NA NA NA NA 38407 0 3 741 738 744 736 746 1 4804 "112621-Mix-Std-pos.mzML" 1 4115 4855 4853 601.92624 715.163146972656 0.0745447471552536 602.20602 1 4855 TRUE "341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.0461807201175336 3753 4432 4426 546.946512 116.96215057373 0.0197130795115172 547.686042 1 4432 FALSE "2758" 375.553700449054 375.553375244141 375.553894042969 50.186412 40.6209354 55.077309 13705975.9238518 13705960.6643464 1238968.5 1238968 NA NA NA NA 38261 1 3 106 103 109 94 112 1 4104 "112621-Mix-Std-pos.mzML" 0.276863979044667 270 369 366 44.75448 375.553680419922 0.0533322728682892 45.0684414 1 369 FALSE "3608" 478.179000802392 478.178558349609 478.179473876953 725.487 722.09304 729.74796 2700150.2721944 2693148.65047637 995217.1875 241 NA NA NA NA 34103 1 3 876 873 879 99 108 1 2298 "112621-Mix-Std-pos.mzML" 0.695086863750608 4929 5804 5798 724.6323 478.179046630859 0.095839565458612 725.3691 1 5804 TRUE "771" 145.028648483319 145.028594970703 145.028732299805 297.169194 291.949002 302.389542 3887129.69515261 3883998.87547481 1167153.125 594 NA NA NA NA 14631 0 3 396 393 399 100 112 1 982 "112621-Mix-Std-pos.mzML" 0.393714989260293 2047 2442 2438 296.314356 145.02864074707 0.0533428965523214 296.792094 1 2442 FALSE "326" 116.962165700053 116.96215057373 116.962181091309 306.69057 298.828638 311.092062 36856983.9316114 36856970.7922285 3117101.5 3117100 NA NA NA NA 37831 0 3 407 404 410 398 412 1 3637 "112621-Mix-Std-pos.mzML" 0.381191631144827 2143 2554 2550 310.268844 116.962188720703 0.19682133580974 310.711464 1 2554 FALSE "2724" 375.553530333328 375.553344726562 375.553771972656 35.1419298 27.67011 40.6209354 16652452.5036392 16652438.7910005 1456899.75 1430680 NA NA NA NA 38261 1 3 87 84 90 77 94 1 4109 "112621-Mix-Std-pos.mzML" 0.240662034018011 228 320 317 39.1127064 375.553436279297 0.25044107871336 39.443838 1 320 FALSE "318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.16514448188638 4236 4996 4993 620.12328 116.962211608887 0.0359507953040458 620.47716 1 4996 FALSE "4197" 693.181002425239 693.180908203125 693.18115234375 481.283196 476.768292 486.6189 60654496.8284314 60653047.5044273 6630534 10993 NA NA NA NA 38392 0 3 606 603 609 601 612 1 4542 "112621-Mix-Std-pos.mzML" 1 3334 3944 3943 484.883274 693.181335449219 0.480428601823915 485.026848 1 3944 TRUE "3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.256966613612759 224 315 310 38.256057 396.067443847656 0.187040269309961 38.86194 1 315 FALSE "26" 103.955784176812 103.955764770508 103.95580291748 470.591226 466.161846 474.95445 11230265.0933299 11230255.4214655 1261480.5 1261480 NA NA NA NA 37798 0 3 594 591 597 589 599 1 3445 "112621-Mix-Std-pos.mzML" 0.93028838226553 3226 3818 3817 468.765324 103.955795288086 0.106884610298071 468.901074 1 3818 TRUE "1867" 282.279710845217 282.279632568359 282.279815673828 785.50848 780.32148 790.71504 78406181.3093126 78349103.2808207 18704088 3158 NA NA NA NA 38205 0 3 946 943 949 940 952 1 3894 "112621-Mix-Std-pos.mzML" 1 5334 6277 6274 782.88768 282.279754638672 0.155142056252919 783.25506 1 6277 TRUE "4219" 693.181138297036 693.180908203125 693.181335449219 492.9333 492.052896 510.062322 99371586.8515606 99369036.4823449 6344564.5 10758 NA NA NA NA 38392 0 9 619 610 628 618 638 1 4531 "112621-Mix-Std-pos.mzML" 1 3472 4105 4104 505.459206 693.180908203125 0.331939081768112 505.704828 1 4105 TRUE "244" 113.96394140516 113.963905334473 113.963966369629 501.017148 493.843572 509.20257 58011465.1055633 58011448.8430949 3981310.25 3981309 NA NA NA NA 37820 0 5 628 623 633 620 637 1 3554 "112621-Mix-Std-pos.mzML" 0.959145049620075 3460 4091 4090 503.70723 113.963905334473 0.316509651076679 503.84298 1 4091 TRUE "4561" 715.16318590281 715.162780761719 715.166748046875 26.117982 20.2441728 39.907035 19529847.7562113 19529828.0933491 1544423.875 1321840 NA NA NA NA 38407 0 13 75 62 88 66 93 1 4802 "112621-Mix-Std-pos.mzML" 1 169 251 247 31.342587 715.163146972656 0.0544353437915362 31.844268 1 251 TRUE "4405" 710.207819658852 710.207763671875 710.207946777344 677.67456 672.19974 684.18426 45189219.9174853 45189207.0110791 4370560.5 4370560 NA NA NA NA 38402 0 3 823 820 826 817 830 1 4681 "112621-Mix-Std-pos.mzML" 1 4607 5429 5427 676.7544 710.207946777344 0.178987738319536 677.01576 1 5429 TRUE "4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3934 4644 4643 574.682094 710.207946777344 0.0123667636997775 574.825998 1 4644 TRUE "337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.356354740197624 4052 4781 4776 591.93192 116.96223449707 0.375934277688402 592.578948 1 4781 FALSE "321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.34067993311614 3796 4483 4482 553.95906 116.962089538574 0.346524770794113 554.09562 1 4483 FALSE "3617" 482.405824418743 482.405670166016 482.405975341797 754.30062 750.14112 760.16316 16760278.8272344 16760268.8051944 2687489.25 2687488 NA NA NA NA 38347 0 3 910 907 913 99 112 1 4467 "112621-Mix-Std-pos.mzML" 1 5124 6032 6029 752.91954 482.40576171875 0.129973540724783 753.23832 1 6032 TRUE "4198" 693.180946975174 693.180786132812 693.18115234375 798.45294 789.80868 803.67708 141158726.268787 141156855.844011 13496757 22377 NA NA NA NA 38392 0 5 961 956 966 951 967 1 4534 "112621-Mix-Std-pos.mzML" 1 5411 6367 6365 794.25552 693.180908203125 0.0559335184190779 794.48412 1 6367 TRUE "2525" 363.310784904212 363.309936523438 363.311645507812 746.87286 738.7026 749.46408 2788999.412595 2766190.20927682 720817.3125 74 NA NA NA NA 35306 3 3 900 897 903 99 111 1 2770 "112621-Mix-Std-pos.mzML" 0.702424075098267 5077 5977 5973 746.87286 363.309936523438 2.33513787614434 747.35994 1 5977 TRUE "202" 113.963984012205 113.96395111084 113.963996887207 623.66706 615.54048 629.17938 30680982.6469851 30680968.0988251 2398925 2266721 NA NA NA NA 37820 0 3 764 761 767 755 770 1 3535 "112621-Mix-Std-pos.mzML" 0.829495935580782 4228 4987 4986 619.2072 113.964019775391 0.313811300009125 619.34298 1 4987 TRUE "2738" 375.553885959998 375.553558349609 375.554443359375 777.71676 758.39742 782.00022 8997499.82843472 8997475.35145695 560726.9375 469660 NA NA NA NA 38261 1 5 937 932 942 915 942 1 4118 "112621-Mix-Std-pos.mzML" 0.311839878054178 5196 6116 6113 762.79224 375.554168701172 0.752864461728282 763.1889 1 6116 FALSE "4378" 710.207746818945 710.207702636719 710.207885742188 647.31798 642.80586 652.83624 41760818.7419511 41760807.7997183 4581546 4581545 NA NA NA NA 38402 0 3 790 787 793 785 796 1 4680 "112621-Mix-Std-pos.mzML" 1 4438 5232 5231 650.92824 710.207763671875 0.0237295784689403 651.15312 1 5232 TRUE "4557" 715.163245994593 715.162841796875 715.163635253906 168.490284 153.922452 205.637148 155371922.803392 155371870.226785 3931852.25 3619950 NA NA NA NA 38407 0 9 247 238 256 230 290 1 4799 "112621-Mix-Std-pos.mzML" 1 1307 1579 1577 190.116966 715.163146972656 0.138460606465512 190.39005 1 1579 TRUE "4395" 710.207501813508 710.207336425781 710.207641601562 286.136058 281.004792 290.160234 105367239.090808 105367229.103053 19042692 19042691 NA NA NA NA 38402 0 3 383 380 386 377 388 1 4662 "112621-Mix-Std-pos.mzML" 1 1993 2379 2375 288.479358 710.207641601562 0.196827060094781 288.927666 1 2379 TRUE "4859" 1007.44621734174 1007.44525146484 1007.447265625 767.99604 755.8023 774.15558 9681968.20501425 9503764.70121942 1607915.125 31 NA NA NA NA 36806 2 3 926 923 929 170 191 1 3191 "112621-Mix-Std-pos.mzML" 1 5175 6091 6085 759.27156 1007.44592285156 0.292313548037827 760.04406 1 6091 TRUE "882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.516540177437987 5407 6362 6358 793.34184 153.138854980469 0.10322990052214 793.87206 1 6362 TRUE "4218" 693.181236472157 693.181030273438 693.181701660156 577.346844 566.453892 585.499998 85888922.4496813 85886231.3891262 5590301 9268 NA NA NA NA 38392 0 7 713 706 720 701 722 1 4543 "112621-Mix-Std-pos.mzML" 1 3916 4623 4622 571.943166 693.181030273438 0.297467255502946 572.086938 1 4623 TRUE "4533" 715.162979486936 715.162780761719 715.163208007812 218.284896 214.338342 224.22357 81049132.6504201 81049121.9414231 16450242 16450241 NA NA NA NA 38407 1 3 305 302 308 300 312 1 4792 "112621-Mix-Std-pos.mzML" 1 1516 1823 1822 219.903468 715.163024902344 0.0635035770693683 220.047054 1 1823 TRUE "357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.365601970191466 3502 4140 4139 510.062322 116.96215057373 0.242422776025331 510.198924 1 4140 FALSE "4388" 710.207750497219 710.207641601562 710.207885742188 79.91919 71.654064 86.464872 81481110.97787 81481095.3442393 6640350.5 6640350 NA NA NA NA 38402 0 5 142 137 147 132 150 1 4686 "112621-Mix-Std-pos.mzML" 1 521 662 660 79.109688 710.207702636719 0.0673894361792643 79.324356 1 662 TRUE "330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.338081685249624 4750 5596 5595 699.04716 116.962196350098 0.0773149296323456 699.18378 1 5596 FALSE "4535" 715.163095130512 715.163024902344 715.163208007812 648.25332 643.68042 652.83624 16205781.2571959 16205771.1857939 1871584.625 1871584 NA NA NA NA 38407 0 3 791 788 794 786 796 1 4824 "112621-Mix-Std-pos.mzML" 1 4450 5246 5245 652.83624 715.163146972656 0.0724899607157355 652.98 1 5246 TRUE "1760" 269.042773364948 269.042572021484 269.043640136719 556.55259 553.95906 561.96939 2861952.05284991 2861944.93255657 982275.0625 982274 NA NA NA NA 26096 1 3 690 687 693 99 108 1 1650 "112621-Mix-Std-pos.mzML" 1 3813 4502 4496 555.62487 269.042572021484 0.748369715225105 556.431318 1 4502 TRUE "318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.359101788916216 4309 5081 5077 630.96348 116.962242126465 0.296869076536448 631.48086 1 5081 FALSE "356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.398346242210742 4498 5302 5301 660.1842 116.962173461914 0.0559407848146722 660.31998 1 5302 FALSE "50" 103.955807429283 103.955764770508 103.955841064453 94.057464 88.163646 101.549862 15312302.3563009 15312288.1334464 1196229.125 1196228 NA NA NA NA 37798 0 5 159 154 164 152 168 1 3429 "112621-Mix-Std-pos.mzML" 0.836634909856175 637 797 793 94.883898 103.955795288086 0.116791910931718 95.355804 1 797 TRUE "2044" 301.14160734253 301.141540527344 301.141693115234 728.0274 722.96436 733.30494 20752630.7498147 20169384.0774737 5079689.5 64 NA NA NA NA 34967 0 3 879 876 882 404 416 1 2613 "112621-Mix-Std-pos.mzML" 1 4938 5815 5812 726.38172 301.141662597656 0.183485525351508 726.6765 1 5815 TRUE "4569" 715.163196149444 715.162841796875 715.163513183594 140.230182 125.055276 153.922452 58956476.2654037 58956446.5491931 2785722 2412468 NA NA NA NA 38407 0 9 214 205 223 196 230 1 4808 "112621-Mix-Std-pos.mzML" 1 975 1191 1185 141.988224 715.163146972656 0.068763029598877 142.666506 1 1191 TRUE "4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 3032 3591 3586 439.699512 693.181274414062 0.169982061711063 440.345142 1 3591 TRUE "4214" 693.181157815947 693.178527832031 693.184814453125 36.7767408 14.605428 89.014944 388730004.956953 388721177.365676 8732336 14428 NA NA NA NA 38392 0 23 89 66 112 45 153 1 4520 "112621-Mix-Std-pos.mzML" 1 250 346 345 42.3008058 693.181213378906 0.0801564759103102 42.444459 1 346 TRUE "225" 113.963977856763 113.963935852051 113.96403503418 637.32966 630.10008 643.68042 28209601.016988 28209586.531292 2126513 2126512 NA NA NA NA 37820 0 5 779 774 784 771 786 1 3543 "112621-Mix-Std-pos.mzML" 0.809921751680591 4372 5155 5154 640.95396 113.963966369629 0.100796182440037 641.18712 1 5155 TRUE "2247" 327.078686752695 327.07861328125 327.078735351562 329.251866 318.071964 338.639574 32206344.5516498 32066065.9957331 1750592.25 189 NA NA NA NA 38225 0 5 433 428 438 420 444 1 3923 "112621-Mix-Std-pos.mzML" 0.831547939045293 2312 2751 2746 334.453266 327.078643798828 0.131325788894871 334.957266 1 2751 TRUE "1409" 217.049928116644 217.049896240234 217.04997253418 553.95906 548.665956 559.185864 646074935.981345 646007115.415555 225960336 15375 NA NA NA NA 32724 0 3 687 684 690 99 111 1 1928 "112621-Mix-Std-pos.mzML" 0.941946188995637 3822 4513 4510 557.44899 217.04997253418 0.204642019945527 557.794098 1 4513 TRUE "320" 116.962161221946 116.962097167969 116.962203979492 375.361122 370.950972 378.759876 22877810.4722578 22877801.7956978 2753876.25 2701291 NA NA NA NA 37831 0 3 486 483 489 481 490 1 3665 "112621-Mix-Std-pos.mzML" 0.147781780137948 2569 3051 3047 371.788596 116.962203979492 0.365567339235011 372.273156 1 3051 FALSE "321" 116.96213006885 116.962089538574 116.962158203125 556.55259 550.489806 560.971284 26723208.8019777 26723197.4470432 2572019.75 2572019 NA NA NA NA 37831 0 3 690 687 693 683 695 1 3638 "112621-Mix-Std-pos.mzML" 0.350639715142826 3832 4525 4524 559.185864 116.962158203125 0.240541750145876 559.32162 1 4525 FALSE "4212" 693.181115806899 693.180969238281 693.181274414062 245.236656 240.802224 251.32227 83431224.9267456 83429687.8567943 9645783 15992 NA NA NA NA 38392 0 3 336 333 339 331 343 1 4530 "112621-Mix-Std-pos.mzML" 1 1699 2036 2032 246.095598 693.181213378906 0.140759759292852 246.608172 1 2036 TRUE "999" 163.061696084634 163.061660766602 163.061752319336 218.284896 215.201922 223.402842 11352550.933301 11352542.732381 4948623 4948622 NA NA NA NA 10856 0 3 305 302 308 99 109 1 713 "112621-Mix-Std-pos.mzML" 0.855334695871026 1500 1804 1801 217.599738 163.061676025391 0.12301628143283 217.89477 1 1804 TRUE "349" 116.962171549122 116.96215057373 116.962203979492 23.072232 20.9739168 31.342587 138659625.201728 138659614.833058 22391264 22391263 NA NA NA NA 37831 0 3 71 68 74 68 82 1 3623 "112621-Mix-Std-pos.mzML" 0.0502018803013922 100 171 170 23.072232 116.96215057373 0.179334830614216 23.207979 1 171 FALSE "690" 139.069646568111 139.069519042969 139.069793701172 285.24963 281.878662 290.160234 5226761.74482033 5219704.65176537 2068110.875 542 NA NA NA NA 13830 1 3 382 379 385 99 109 1 894 "112621-Mix-Std-pos.mzML" 0.247739119403296 1961 2342 2340 284.39058 139.069519042969 0.916987606114212 284.647428 1 2342 FALSE "357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.359171228626857 3556 4203 4202 518.240832 116.962203979492 0.21418432729833 518.376594 1 4203 FALSE "351" 116.962153738508 116.962120056152 116.962181091309 527.222316 521.848482 531.723432 25802047.4611736 25802036.6885009 2477386.75 2477386 NA NA NA NA 37831 0 3 657 654 660 651 662 1 3626 "112621-Mix-Std-pos.mzML" 0.367103383823734 3591 4243 4237 522.76761 116.962203979492 0.429549070374913 523.485042 1 4243 FALSE "4409" 710.207821165251 710.207641601562 710.2080078125 418.433382 412.955484 423.787032 66393082.797041 66393071.062864 6504401.5 6504400 NA NA NA NA 38402 0 3 535 532 538 529 541 1 4674 "112621-Mix-Std-pos.mzML" 1 2848 3377 3376 412.955484 710.207824707031 0.00498696324706607 413.099058 1 3377 TRUE "118" 105.954038616986 105.954032897949 105.954048156738 467.034066 462.462 474.046746 6764297.7668113 6764285.29093099 601622.75 601622 NA NA NA NA 37801 0 3 590 587 593 585 598 1 3501 "112621-Mix-Std-pos.mzML" 0.461404863825345 3229 3821 3817 468.765324 105.954040527344 0.0180300653092759 469.289544 1 3821 FALSE "244" 113.96394140516 113.963905334473 113.963966369629 501.017148 493.843572 509.20257 58011465.1055633 58011448.8430949 3981310.25 3981309 NA NA NA NA 37820 0 5 628 623 633 620 637 1 3554 "112621-Mix-Std-pos.mzML" 1 3424 4049 4048 498.319692 113.963966369629 0.219055857604793 498.455448 1 4049 TRUE "4538" 715.163124261445 715.162902832031 715.163269042969 236.424492 231.264216 240.802224 32229168.1325188 32229157.7274192 3904604.75 3857496 NA NA NA NA 38407 0 3 326 323 329 320 331 1 4827 "112621-Mix-Std-pos.mzML" 1 1612 1935 1934 233.80287 715.163146972656 0.0317566866943289 233.946498 1 1935 TRUE "333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.37897570008794 1637 1964 1962 237.332574 116.962188720703 0.075850321260044 237.554676 1 1964 FALSE "3696" 515.41368163303 515.413330078125 515.414001464844 726.38172 718.94454 733.30494 7564448.21161601 7564433.0064866 1092443.5 1092442 NA NA NA NA 35130 1 3 877 874 880 107 124 1 2672 "112621-Mix-Std-pos.mzML" 0.947142895459224 4935 5811 5805 725.487 515.413757324219 0.146855217408969 726.26424 1 5811 TRUE "2168" 321.099292342745 321.098602294922 321.100128173828 447.570012 444.196242 452.75907 5157772.25993494 5157763.69710694 1535800.875 1535800 NA NA NA NA 21471 2 3 568 565 571 99 109 1 1480 "112621-Mix-Std-pos.mzML" 0.538202693679354 3077 3644 3642 446.710164 321.099151611328 0.438280058023901 446.970276 1 3644 TRUE "2044" 301.14160734253 301.141540527344 301.141693115234 728.0274 722.96436 733.30494 20752630.7498147 20169384.0774737 5079689.5 64 NA NA NA NA 34967 0 3 879 876 882 404 416 1 2613 "112621-Mix-Std-pos.mzML" 1 4941 5818 5812 726.38172 301.141540527344 0.22187298215341 727.02792 1 5818 TRUE "744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.75244911086206 5070 5969 5966 745.90356 144.982360839844 0.110336955773155 746.36394 1 5969 TRUE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.158956765956764 3488 4123 4118 507.394704 116.962196350098 0.290490240888239 508.047108 1 4123 FALSE "760" 144.982397984665 144.982376098633 144.982421875 677.67456 669.31818 681.3981 14526905.1981542 14526892.1890096 1475355.125 1475354 NA NA NA NA 37944 0 3 823 820 826 814 827 1 3753 "112621-Mix-Std-pos.mzML" 0.688148838142631 4619 5443 5441 678.59604 144.982406616211 0.0595351307723603 678.85428 1 5443 TRUE "323" 116.962170026759 116.962135314941 116.962196350098 101.549862 95.702622 106.589628 53008744.699221 53008732.974753 4921296 4921295 NA NA NA NA 37831 0 3 168 165 171 161 174 1 3643 "112621-Mix-Std-pos.mzML" 0.405288095060366 682 850 849 101.549862 116.962158203125 0.101089384432003 101.68647 1 850 FALSE "4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1414 1704 1703 205.637148 710.207702636719 0.112872898058903 205.811154 1 1704 TRUE "96" 105.954002342051 105.953544616699 105.9541015625 773.43702 720.61788 803.67708 35689870.7961773 35689787.7369773 619203.375 611945 NA NA NA NA 37801 0 29 932 903 961 870 967 1 3458 "112621-Mix-Std-pos.mzML" 0.480868210901279 5366 6314 6309 787.25724 105.954025268555 0.216381666814569 787.91562 1 6314 FALSE "4554" 715.163171953786 715.162963867188 715.163269042969 330.126066 324.137736 337.003992 29615306.0679683 29615292.3439619 2676208.25 2676207 NA NA NA NA 38407 0 3 434 431 437 427 442 1 4815 "112621-Mix-Std-pos.mzML" 1 2325 2766 2760 336.234444 715.162780761719 0.546996940653987 336.885024 1 2766 TRUE "724" 144.982395507924 144.982330322266 144.982467651367 492.9333 471.499392 493.843572 31869991.7633098 31869968.5253626 1777349 1777348 NA NA NA NA 37944 0 23 619 596 642 595 620 1 3743 "112621-Mix-Std-pos.mzML" 0.680077546130043 3318 3925 3922 482.211798 144.982376098633 0.133873436936626 482.538702 1 3925 TRUE "353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.390954940870169 3089 3658 3656 448.413816 116.962059020996 0.0953925530278848 448.63959 1 3658 FALSE "345" 116.962162298495 116.962127685547 116.962181091309 325.831794 317.183886 332.704716 44811484.9290062 44811468.5459079 2895603.5 2895602 NA NA NA NA 37831 0 5 429 424 434 419 437 1 3646 "112621-Mix-Std-pos.mzML" 0.170997818213982 2231 2657 2655 323.279886 116.962158203125 0.0350144818150785 323.524248 1 2657 FALSE "333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.388124301267389 1595 1915 1913 231.264216 116.962173461914 0.0546088500908008 231.484956 1 1915 FALSE "315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.377060842562987 2790 3309 3306 404.182914 116.962135314941 0.158527877415937 404.564766 1 3309 FALSE "363" 117.06615127163 117.066093444824 117.066223144531 826.76058 811.6362 827.52336 2227091.34837253 2227075.46121253 216394.9375 253325 NA NA NA NA 39435 0 19 1062 1043 1081 99 145 1 5015 "112621-Mix-Std-pos.mzML" 0.501577545536358 5533 6577 6576 821.3265 117.066184997559 0.28809291771837 821.46228 1 6577 TRUE "4551" 715.163331001494 715.163208007812 715.163513183594 721.36992 717.16692 726.38172 39355323.8724554 39355313.8199463 7341122 7341121 NA NA NA NA 38407 0 3 871 868 874 866 877 1 4807 "112621-Mix-Std-pos.mzML" 1 4926 5801 5798 724.6323 715.163391113281 0.0840532288039515 724.998 1 5801 TRUE "2359" 338.342415387887 338.34228515625 338.342529296875 774.15558 768.8805 780.32148 29494100.2942123 29407572.0084953 6289671 475 NA NA NA NA 38233 0 3 933 930 936 117 130 1 3951 "112621-Mix-Std-pos.mzML" 1 5290 6226 6225 776.85078 338.342529296875 0.336667775481026 776.98938 1 6226 TRUE "4196" 693.180748109645 693.18017578125 693.180908203125 286.85778 282.753732 294.468438 94229832.0999965 94228139.2888715 10422566 17280 NA NA NA NA 38392 0 3 384 381 387 379 393 1 4522 "112621-Mix-Std-pos.mzML" 1 1996 2383 2382 289.269234 693.180908203125 0.230954885490177 289.412808 1 2383 TRUE "4168" 685.436849427727 685.436706542969 685.437133789062 787.25724 781.2234 792.41448 5086373.02392553 5086360.97199322 682564.375 682563 NA NA NA NA 38387 0 3 948 945 951 103 116 1 4515 "112621-Mix-Std-pos.mzML" 1 5361 6308 6302 786.3579 685.436828613281 0.0303666855816838 787.13532 1 6308 TRUE "4209" 693.181111429756 693.180908203125 693.181335449219 199.63017 193.517442 208.319718 111944814.403049 111942700.592948 8256843 13689 NA NA NA NA 38392 0 3 283 280 286 276 293 1 4540 "112621-Mix-Std-pos.mzML" 1 1426 1718 1717 207.46059 693.181030273438 0.117078086408183 207.604164 1 1718 TRUE "3307" 419.3162349862 419.315795898438 419.316436767578 744.13626 731.5659 750.79302 16958460.1925138 16874947.4731068 1278407.5 198 NA NA NA NA 38324 0 5 897 892 902 883 905 1 4444 "112621-Mix-Std-pos.mzML" 1 4974 5857 5854 731.5659 419.316253662109 0.0445389616290907 731.9277 1 5857 TRUE "740" 144.982388160586 144.982284545898 144.982421875 328.502592 309.36126 329.251866 26682660.3653646 26682639.6099496 1721236.5 1721236 NA NA NA NA 37944 0 13 432 419 445 410 433 1 3746 "112621-Mix-Std-pos.mzML" 0.648422296532801 2197 2617 2613 318.071964 144.982406616211 0.127295635994399 318.532266 1 2617 TRUE "347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.338496864399374 1750 2096 2095 253.99803 116.962135314941 0.0458188244008798 254.13378 1 2096 FALSE "3064" 394.567539354393 394.567413330078 394.567718505859 125.852244 119.172618 133.414992 12457891.3010857 12457876.220925 979412.5 971216 NA NA NA NA 38294 0 5 197 192 202 189 206 1 4282 "112621-Mix-Std-pos.mzML" 0.212293954112007 843 1037 1031 123.31947 394.567443847656 0.242054216979728 124.06281 1 1037 FALSE "2758" 375.553700449054 375.553375244141 375.553894042969 50.186412 40.6209354 55.077309 13705975.9238518 13705960.6643464 1238968.5 1238968 NA NA NA NA 38261 1 3 106 103 109 94 112 1 4104 "112621-Mix-Std-pos.mzML" 0.243676064489143 271 370 366 44.75448 375.553497314453 0.540893621700849 45.158085 1 370 FALSE "765" 144.98238747247 144.982330322266 144.982452392578 527.222316 516.454506 537.957192 29920064.9133821 29920042.5147509 1840150.75 1840150 NA NA NA NA 37944 0 5 657 652 662 645 669 1 3752 "112621-Mix-Std-pos.mzML" 0.652444801021535 3682 4350 4349 537.047568 144.982345581055 0.28894141060302 537.184146 1 4350 TRUE "230" 113.963944605279 113.963920593262 113.963973999023 427.318818 421.953708 434.39529 57313005.2856449 57312991.9553784 4844239 4844238 NA NA NA NA 37820 0 5 545 540 550 539 553 1 3553 "112621-Mix-Std-pos.mzML" 1 2921 3462 3460 423.787032 113.963928222656 0.143752685377672 424.00206 1 3462 TRUE "4227" 693.181099185288 693.180786132812 693.181457519531 782.88768 757.56852 789.80868 336913447.584142 336908981.84914 15591062 20983 NA NA NA NA 38392 0 5 943 938 948 914 951 1 4554 "112621-Mix-Std-pos.mzML" 1 5256 6186 6183 771.64458 693.180969238281 0.187464728883757 772.01766 1 6186 TRUE "44" 103.955785626988 103.955764770508 103.95581817627 461.547414 453.67107 466.161846 15768200.1568486 15768186.7738743 1283835.375 1219225 NA NA NA NA 37798 1 3 584 581 587 575 589 1 3444 "112621-Mix-Std-pos.mzML" 0.931497901837623 3190 3776 3775 463.394352 103.955780029297 0.0538468481061009 463.530102 1 3776 TRUE "228" 113.963952980402 113.963928222656 113.963973999023 660.1842 651.91806 667.53198 27838657.7262212 27838641.1938353 1791889.375 1769985 NA NA NA NA 37820 0 3 804 801 807 795 812 1 3568 "112621-Mix-Std-pos.mzML" 0.805881918300974 4444 5239 5238 651.91806 113.963943481445 0.0833505369328365 652.05378 1 5239 TRUE "328" 116.962162523988 116.962135314941 116.962211608887 35.937783 31.342587 39.907035 79008987.0513164 79008977.7082822 9638680 9459518 NA NA NA NA 37831 0 3 88 85 91 82 93 1 3659 "112621-Mix-Std-pos.mzML" 0.0638254028372667 216 306 303 37.4754324 116.962211608887 0.419664768282801 37.8305874 1 306 FALSE "343" 116.962177541444 116.962158203125 116.962196350098 435.31416 431.67957 441.663636 27673466.3167321 27673455.4250237 2681825 2666344 NA NA NA NA 37831 0 3 554 551 557 550 561 1 3667 "112621-Mix-Std-pos.mzML" 0.369182861906838 3005 3560 3558 436.220064 116.962181091309 0.0303505309484292 436.43577 1 3560 FALSE "721" 144.957097083879 144.957046508789 144.957138061523 23.072232 20.9739168 28.346406 19752237.5029948 19235332.5983328 5133153.5 41 NA NA NA NA 35242 0 3 71 68 74 68 78 1 2725 "112621-Mix-Std-pos.mzML" 0.228744096607564 121 195 191 25.2168768 144.957061767578 0.243632782918377 25.7757888 1 195 FALSE "72" 105.954032079818 105.953979492188 105.954055786133 368.317854 364.767018 371.788596 4505385.04618906 4505377.14691381 632813.4375 632812 NA NA NA NA 37801 1 3 478 475 481 474 482 1 3459 "112621-Mix-Std-pos.mzML" 0.473566442326319 2538 3015 3012 367.408896 105.953979492188 0.496324960131431 367.80978 1 3015 FALSE "4191" 693.180995397203 693.180786132812 693.181213378906 714.60618 710.0616 718.02834 45398393.7550581 45397199.8988507 7186602.5 11915 NA NA NA NA 38392 1 3 863 860 866 858 867 1 4562 "112621-Mix-Std-pos.mzML" 1 4853 5716 5714 714.60618 693.180786132812 0.301889970190206 714.82332 1 5716 TRUE "881" 153.138920812983 153.138885498047 153.138961791992 703.62966 688.87824 721.36992 13933158.6943277 13718878.569346 613733.6875 40 NA NA NA NA 37973 0 7 851 844 858 811 847 1 3796 "112621-Mix-Std-pos.mzML" 0.559935533081665 4808 5663 5658 707.33184 153.138931274414 0.0683133417294463 707.95572 1 5663 TRUE "1480" 226.180674708764 226.180603027344 226.180740356445 511.854708 507.394704 517.319802 2512442.18726725 2334900.01926508 716635.25 67 NA NA NA NA 25754 0 3 640 637 643 111 122 1 1566 "112621-Mix-Std-pos.mzML" 0.850180442992194 3513 4152 4146 510.931152 226.180694580078 0.0878559322691349 511.722204 1 4152 TRUE "4544" 715.163200284316 715.163024902344 715.163513183594 602.86446 598.207896 607.36614 17742838.605928 17742828.5318596 2103129.5 2103128 NA NA NA NA 38407 0 3 741 738 744 736 746 1 4804 "112621-Mix-Std-pos.mzML" 1 4145 4890 4888 606.45324 715.163330078125 0.181488377419956 606.71076 1 4890 TRUE "4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 601 755 751 89.860878 710.207702636719 0.0675226095148247 90.375804 1 755 TRUE "4207" 693.181227859978 693.18115234375 693.181274414062 152.201832 148.811682 159.873354 87468667.8035057 87467061.1606492 10095939 15188 NA NA NA NA 38392 0 3 228 225 231 224 237 1 4555 "112621-Mix-Std-pos.mzML" 1 1072 1305 1304 156.56151 693.181213378906 0.0208907448772696 156.70509 1 1305 TRUE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.391244605310864 1123 1364 1360 163.306758 116.962158203125 0.180932312010379 163.786008 1 1364 FALSE "322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.344669708246465 568 717 716 85.644996 116.962188720703 0.387876361642145 85.78074 1 717 FALSE "4554" 715.163171953786 715.162963867188 715.163269042969 330.126066 324.137736 337.003992 29615306.0679683 29615292.3439619 2676208.25 2676207 NA NA NA NA 38407 0 3 434 431 437 427 442 1 4815 "112621-Mix-Std-pos.mzML" 1 2238 2665 2662 324.137736 715.163330078125 0.221102463499192 324.47862 1 2665 TRUE "197" 113.963936881878 113.963928222656 113.963958740234 398.836758 393.565728 401.45121 39495032.8270558 39495024.0654091 4684248 4684247 NA NA NA NA 37820 0 3 513 510 516 507 516 1 3563 "112621-Mix-Std-pos.mzML" 1 2760 3274 3271 399.747654 113.963935852051 0.0090364320659368 400.040658 1 3274 TRUE "347" 116.962140674009 116.962120056152 116.962188720703 252.182202 246.095598 257.402778 34943961.0916465 34943948.9146834 3034781.5 3034780 NA NA NA NA 37831 1 3 344 341 347 337 350 1 3636 "112621-Mix-Std-pos.mzML" 0.383989908199984 1722 2063 2060 249.66162 116.962135314941 0.0458188244008798 249.96063 1 2063 FALSE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.398107779532707 1270 1536 1535 184.820166 116.962127685547 0.441850655791152 184.956822 1 1536 FALSE "4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2120 2527 2522 306.69057 710.207885742188 0.0955745061646433 307.324536 1 2527 TRUE "330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.345969461360508 4739 5583 5581 697.21584 116.962203979492 0.142544511148405 697.47966 1 5583 FALSE "2613" 374.05365139656 374.053436279297 374.053802490234 79.109688 73.366812 84.018864 9225955.94399325 9225944.47255263 1002017.0625 1002016 NA NA NA NA 38257 0 5 141 136 146 134 147 1 3992 "112621-Mix-Std-pos.mzML" 0.160805971919105 525 666 660 79.109688 374.053802490234 0.403935836010936 79.797348 1 666 FALSE "3317" 419.316384546965 419.316040039062 419.316650390625 140.230182 139.372908 153.045678 8159004.91726523 8098649.16313118 709468.875 144 NA NA NA NA 38324 0 9 214 205 223 213 229 1 4429 "112621-Mix-Std-pos.mzML" 0.958273904891371 1017 1240 1234 147.940452 419.316467285156 0.197316857462515 148.687362 1 1240 TRUE "4536" 715.163075998006 715.162902832031 715.163269042969 347.216796 342.794274 353.278074 26303051.2064435 26303039.8489935 2741232.25 2614554 NA NA NA NA 38407 1 3 454 451 457 449 461 1 4821 "112621-Mix-Std-pos.mzML" 1 2397 2850 2844 346.459992 715.163269042969 0.26993138894968 347.092698 1 2850 TRUE "2896" 383.059406561823 383.059265136719 383.059539794922 67.552188 54.1674342 79.109688 15473087.5027367 15473061.7290745 813336.5 813336 NA NA NA NA 38271 0 9 127 118 136 111 141 1 4201 "112621-Mix-Std-pos.mzML" 0.458751852327146 391 510 506 61.049892 383.059539794922 0.34781315045242 61.55196 1 510 FALSE "4398" 710.207651117507 710.207397460938 710.207824707031 450.98676 446.710164 454.516188 46827840.5588039 46827831.8854439 6316222 6316221 NA NA NA NA 38402 0 3 572 569 575 567 576 1 4670 "112621-Mix-Std-pos.mzML" 1 3124 3699 3698 453.67107 710.207824707031 0.244420803295708 453.814722 1 3699 TRUE "2907" 383.059425135895 383.059204101562 383.059539794922 251.32227 242.607528 256.528452 5714729.15131996 5714714.36033821 554421.4375 554420 NA NA NA NA 38271 1 3 343 340 346 333 349 1 4217 "112621-Mix-Std-pos.mzML" 0.51663961043498 1707 2045 2039 246.991656 383.059356689453 0.178683612837263 247.784208 1 2045 TRUE "4571" 715.162925436475 715.162780761719 715.163146972656 796.85886 765.47388 803.67708 137096672.510127 137096634.306927 4840819 4122582 NA NA NA NA 38407 0 9 959 950 968 923 967 1 4801 "112621-Mix-Std-pos.mzML" 1 5441 6402 6400 798.45294 715.162780761719 0.202296219342075 798.72072 1 6402 TRUE "4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 2964 3512 3509 430.042806 693.181213378906 0.0819312604592927 430.357896 1 3512 TRUE "76" 105.954029737794 105.954025268555 105.954040527344 652.83624 650.007 657.48138 3634496.33992599 3634487.93124849 465933.375 465932 NA NA NA NA 37801 0 3 796 793 799 793 801 1 3509 "112621-Mix-Std-pos.mzML" 0.289302336710425 4461 5258 5252 653.73192 105.954040527344 0.101832367870855 654.4821 1 5258 FALSE "339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.153415359598304 1897 2267 2263 274.911558 116.962142944336 0.0608055373713343 275.392932 1 2267 FALSE "4203" 693.181060844327 693.180603027344 693.181274414062 419.282754 412.955484 424.58244 81420745.281739 81419056.5347032 7437825.5 12331 NA NA NA NA 38392 0 3 536 533 539 529 542 1 4529 "112621-Mix-Std-pos.mzML" 1 2880 3414 3411 417.60936 693.181274414062 0.308100938618657 417.91881 1 3414 TRUE "3055" 394.567589771966 394.567199707031 394.567840576172 163.306758 158.167134 165.868284 6783451.97972709 6783443.42289376 927027.5625 927027 NA NA NA NA 38294 0 3 241 238 244 235 244 1 4268 "112621-Mix-Std-pos.mzML" 0.355569427728797 1088 1323 1318 158.167134 394.567413330078 0.447177854339709 158.765586 1 1323 FALSE "4370" 710.207834256406 710.207580566406 710.2080078125 492.9333 485.760828 495.637944 54784072.1919775 54784061.4169418 6029825.5 5999048 NA NA NA NA 38402 1 3 619 616 622 611 622 1 4701 "112621-Mix-Std-pos.mzML" 1 3395 4015 4013 493.843572 710.207885742188 0.0724939650429772 494.11659 1 4015 TRUE "199" 113.96389681332 113.963859558105 113.963943481445 293.642508 291.949002 300.53421 47583878.0650378 47583868.621309 5448346 5448345 NA NA NA NA 37820 0 3 392 389 395 390 400 1 3560 "112621-Mix-Std-pos.mzML" 1 2062 2460 2459 298.828638 113.963966369629 0.610336353517453 298.964412 1 2460 TRUE "350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.358528306913778 4162 4910 4909 609.16842 116.962196350098 0.00507734569532854 609.30498 1 4910 FALSE "603" 128.950973211022 128.950942993164 128.95100402832 26.947614 20.9739168 38.256057 25223656.1741234 24070385.2043973 1843882.25 17 NA NA NA NA 35357 0 7 76 69 83 68 91 1 2793 "112621-Mix-Std-pos.mzML" 0.591454933801527 156 236 233 29.7546102 128.950988769531 0.120654450220799 30.1082112 1 236 TRUE "3481" 449.108697685258 449.108581542969 449.108734130859 324.137736 318.912522 329.251866 320697560.060326 320669478.462338 77511800 9226 NA NA NA NA 33080 0 3 427 424 430 116 128 1 1995 "112621-Mix-Std-pos.mzML" 1 2216 2639 2634 320.74617 449.108673095703 0.0547519016963293 321.395634 1 2639 TRUE "348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.376573234443549 2915 3455 3453 422.868564 116.962135314941 0.380464349887371 423.128706 1 3455 FALSE "331" 116.962172172737 116.962135314941 116.962203979492 663.81 660.1842 669.31818 20374030.7495679 20374020.7021899 2085692.625 2085692 NA NA NA NA 37831 1 3 808 805 811 804 814 1 3670 "112621-Mix-Std-pos.mzML" 0.392423008950988 4536 5346 5343 665.65362 116.962173461914 0.0110221680972504 666.09726 1 5346 FALSE "1095" 174.992615701742 174.992538452148 174.992691040039 619.2072 613.73544 627.32064 11403712.8250913 10408588.1725432 1446521.625 26 NA NA NA NA 34827 1 3 759 756 762 284 299 1 2568 "112621-Mix-Std-pos.mzML" 0.826125378926414 4260 5024 5021 623.66706 174.99267578125 0.343325963475706 624.0522 1 5024 TRUE "2606" 374.053567052253 374.053100585938 374.053802490234 448.413816 443.333592 454.516188 4543887.05413877 4543875.01134308 693554.5 693554 NA NA NA NA 38257 1 3 569 566 572 563 576 1 3973 "112621-Mix-Std-pos.mzML" 0.325693974603032 3099 3669 3663 449.21709 374.053588867188 0.0583203495176919 449.950476 1 3669 FALSE "4917" 1081.26550269436 1081.26428222656 1081.26794433594 782.00022 774.15558 789.80868 12572670.1772902 12528511.12378 3493527.5 287 NA NA NA NA 37738 0 5 942 937 947 119 137 1 3393 "112621-Mix-Std-pos.mzML" 1 5318 6258 6253 780.32148 1081.265625 0.113113416925922 780.96288 1 6258 TRUE "4211" 693.181133983834 693.181030273438 693.181213378906 236.424492 232.107048 240.802224 67689003.5819592 67687713.5961001 8601567 14261 NA NA NA NA 38392 0 3 326 323 329 321 331 1 4556 "112621-Mix-Std-pos.mzML" 1 1660 1991 1990 240.802224 693.180969238281 0.237665949702952 240.983454 1 1991 TRUE "315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.370389587009966 2746 3258 3257 397.95015 116.962173461914 0.167620123440698 398.085906 1 3258 FALSE "4829" 887.260497717571 887.259216308594 887.261840820312 285.24963 281.878662 290.160234 8458008.79518707 8458000.51361507 3138669.25 3138668 NA NA NA NA 13922 2 3 382 379 385 99 109 1 903 "112621-Mix-Std-pos.mzML" 1 1958 2338 2333 283.531914 887.259216308594 1.44423084396312 284.159238 1 2338 TRUE "4207" 693.181227859978 693.18115234375 693.181274414062 152.201832 148.811682 159.873354 87468667.8035057 87467061.1606492 10095939 15188 NA NA NA NA 38392 0 3 228 225 231 224 237 1 4555 "112621-Mix-Std-pos.mzML" 1 1027 1252 1248 149.716434 693.181274414062 0.0671600473209418 150.195534 1 1252 TRUE "224" 113.963941894218 113.963882446289 113.963973999023 375.361122 371.788596 379.585746 39884982.0976627 39884973.4341627 5064271 5055990 NA NA NA NA 37820 0 3 486 483 489 482 491 1 3562 "112621-Mix-Std-pos.mzML" 1 2596 3083 3082 376.24365 113.963958740234 0.147818829223127 376.379424 1 3083 TRUE "335" 116.96215694512 116.962104797363 116.962188720703 67.552188 64.228608 70.80864 40041228.9696841 40041221.5671481 5556001.5 5556000 NA NA NA NA 37831 1 3 127 124 130 123 131 1 3648 "112621-Mix-Std-pos.mzML" 0.0414472645305387 447 575 569 68.372388 116.962188720703 0.271674049227527 69.00912 1 575 FALSE "4540" 715.163234669683 715.163146972656 715.163391113281 311.986632 308.491668 316.424484 21350168.1185039 21350159.3042639 3244341 3244340 NA NA NA NA 38407 0 3 413 410 416 409 418 1 4809 "112621-Mix-Std-pos.mzML" 1 2187 2605 2599 316.424484 715.163146972656 0.122625189054788 317.055372 1 2605 TRUE "22" 103.95580088644 103.955757141113 103.955871582031 664.73424 607.36614 718.02834 100489686.469614 100489574.892851 1133407.75 1058466 NA NA NA NA 37798 0 33 809 776 842 746 867 1 3410 "112621-Mix-Std-pos.mzML" 0.858573604280083 4338 5115 5112 635.53026 103.955825805664 0.239709793766007 635.94336 1 5115 TRUE "884" 153.138864935078 153.138824462891 153.138900756836 210.974466 191.824608 233.80287 38220942.7773959 37946084.4632211 1250519.25 83 NA NA NA NA 37973 0 9 296 287 305 250 299 1 3794 "112621-Mix-Std-pos.mzML" 0.765611854185788 1380 1664 1661 200.50002 153.138854980469 0.0650038088910506 200.894772 1 1664 TRUE "4373" 710.207782799929 710.207458496094 710.208068847656 219.103968 187.423992 254.83425 517046609.341661 517046541.067169 13950125 13950124 NA NA NA NA 38402 0 19 306 287 325 269 347 1 4661 "112621-Mix-Std-pos.mzML" 1 1618 1942 1941 234.721098 710.207824707031 0.0590068186329491 234.864666 1 1942 TRUE "2071" 304.300392491308 304.299896240234 304.300506591797 712.87494 706.39704 718.02834 4592919.12181078 4150772.91699816 749923.9375 42 NA NA NA NA 33136 0 3 861 858 864 266 279 1 2008 "112621-Mix-Std-pos.mzML" 0.943517363896193 4832 5691 5686 710.94186 304.300476074219 0.274672372090294 711.69792 1 5691 TRUE "330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.336534409219146 4873 5739 5735 717.16692 116.962173461914 0.118373814915834 717.64614 1 5739 FALSE "2423" 348.990870195785 348.990692138672 348.991058349609 619.2072 613.73544 626.43528 8342635.98416525 7981619.19338913 1091904.875 30 NA NA NA NA 35012 1 3 759 756 762 282 296 1 2630 "112621-Mix-Std-pos.mzML" 0.742790584032739 4263 5027 5021 623.66706 348.990844726562 0.072979624425769 624.44424 1 5027 TRUE "209" 113.963956370007 113.963920593262 113.963981628418 735.05634 730.66842 739.59168 12934188.8530455 12934179.0374595 1460955.625 1442159 NA NA NA NA 37820 1 3 887 884 890 882 892 1 3574 "112621-Mix-Std-pos.mzML" 0.814479043751613 5009 5898 5896 736.93266 113.96395111084 0.0461476373001804 737.1708 1 5898 TRUE "4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3941 4652 4650 575.60382 710.207824707031 0.184246438581331 575.84844 1 4652 TRUE "48" 103.955779883462 103.955757141113 103.955810546875 565.539744 560.076294 570.959748 12414982.0928937 12414970.3024852 1098840.5 1096173 NA NA NA NA 37798 0 3 700 697 703 694 706 1 3446 "112621-Mix-Std-pos.mzML" 0.907569196802155 3883 4584 4580 566.453892 103.955757141113 0.218769451918963 566.944896 1 4584 TRUE "744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.67869614600194 5230 6156 6155 767.99604 144.982391357422 0.100154683216604 768.1326 1 6156 TRUE "4541" 715.163431018626 715.163269042969 715.163635253906 594.622746 590.959974 598.207896 14339941.6507752 14339933.4968629 2283879.5 2283878 NA NA NA NA 38407 0 3 732 729 735 728 736 1 4840 "112621-Mix-Std-pos.mzML" 1 4074 4807 4804 595.490124 715.163330078125 0.141143264470274 595.884108 1 4807 TRUE "4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4738 5582 5581 697.21584 715.16357421875 0.447616534863407 697.35942 1 5582 TRUE "2611" 374.053830002777 374.053741455078 374.053924560547 151.364034 147.061476 159.017412 9415408.43104241 9415395.62111099 903380.5625 903380 NA NA NA NA 38257 0 3 227 224 230 222 236 1 3970 "112621-Mix-Std-pos.mzML" 0.197569538814489 1022 1246 1241 148.811682 374.053833007812 0.00803369911066158 149.465586 1 1246 FALSE "3311" 419.31630078461 419.316009521484 419.316589355469 275.757876 272.357532 281.004792 5262489.31127495 5222970.44871528 641769.8125 130 NA NA NA NA 38324 0 3 371 368 374 367 377 1 4447 "112621-Mix-Std-pos.mzML" 1 1885 2253 2249 273.211956 419.316223144531 0.185158742686971 273.7389 1 2253 TRUE "4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4530 5339 5336 664.73424 715.163391113281 0.191583429554511 665.14374 1 5339 TRUE "4381" 710.207741071561 710.207397460938 710.207946777344 64.228608 55.9895172 71.654064 112342797.223381 112342780.734384 19347406 19347405 NA NA NA NA 38402 0 5 123 118 128 113 132 1 4671 "112621-Mix-Std-pos.mzML" 1 446 574 569 68.372388 710.2080078125 0.375581570935783 68.938386 1 574 TRUE "757" 144.982360884806 144.982315063477 144.982406616211 275.757876 272.357532 281.878662 13662813.2190113 13662802.832324 1673273 1673272 NA NA NA NA 37944 0 3 371 368 374 367 378 1 3757 "112621-Mix-Std-pos.mzML" 0.676459034028973 1902 2273 2270 275.757876 144.982345581055 0.105555952786837 276.106008 1 2273 TRUE "350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.170389892220427 4194 4947 4944 613.73544 116.962158203125 0.331225226403562 614.11386 1 4947 FALSE "2072" 304.300443159698 304.300384521484 304.300506591797 663.81 655.52436 672.19974 39194136.1072111 38572824.0293123 9314443 541 NA NA NA NA 33136 0 5 808 803 813 211 229 1 2007 "112621-Mix-Std-pos.mzML" 1 4547 5359 5357 667.53198 304.300384521484 0.192698415592666 667.79472 1 5359 TRUE "4532" 715.163392738379 715.163208007812 715.163696289062 622.79316 612.80958 630.10008 31341690.4606481 31341672.2601218 1979838.25 1979837 NA NA NA NA 38407 0 7 763 756 770 752 771 1 4812 "112621-Mix-Std-pos.mzML" 1 4295 5065 5063 629.17938 715.163391113281 0.00227234423323012 629.44674 1 5065 TRUE "119" 105.954028633563 105.954010009766 105.954040527344 351.631116 347.216796 357.707424 6337365.42655122 6337354.06170422 623246.5 623246 NA NA NA NA 37801 0 3 459 456 462 454 466 1 3476 "112621-Mix-Std-pos.mzML" 0.445664523898019 2413 2869 2865 348.930366 105.954040527344 0.112254164546116 349.449822 1 2869 FALSE "4196" 693.180748109645 693.18017578125 693.180908203125 286.85778 282.753732 294.468438 94229832.0999965 94228139.2888715 10422566 17280 NA NA NA NA 38392 0 3 384 381 387 379 393 1 4522 "112621-Mix-Std-pos.mzML" 1 2014 2404 2403 291.949002 693.180786132812 0.054853179213863 292.09266 1 2404 TRUE "324" 116.962176860303 116.962142944336 116.962203979492 733.30494 722.96436 734.22564 20842441.9929232 20842429.8653909 1899255.375 1927509 NA NA NA NA 37831 0 5 885 880 890 873 886 1 3658 "112621-Mix-Std-pos.mzML" 0.354639673687157 4984 5869 5868 733.30494 116.962188720703 0.101403724654838 733.44156 1 5869 FALSE "328" 116.962162523988 116.962135314941 116.962211608887 35.937783 31.342587 39.907035 79008987.0513164 79008977.7082822 9638680 9459518 NA NA NA NA 37831 0 3 88 85 91 82 93 1 3659 "112621-Mix-Std-pos.mzML" 0.41119424441992 220 311 310 38.256057 116.962181091309 0.158746386932412 38.3927322 1 311 FALSE "818" 149.023613784109 149.023590087891 149.023651123047 728.0274 719.81046 735.94002 90483594.1214075 89617346.6506934 16551143 303 NA NA NA NA 37957 0 5 879 874 884 869 888 1 3783 "112621-Mix-Std-pos.mzML" 1 4940 5817 5812 726.38172 149.023590087891 0.159009824704028 726.8967 1 5817 TRUE "318" 116.962207404002 116.962181091309 116.962226867676 625.42986 616.5267 631.87326 34907277.5898778 34907261.340579 2300913 2300912 NA NA NA NA 37831 0 5 766 761 771 756 773 1 3657 "112621-Mix-Std-pos.mzML" 0.385131802554125 4223 4981 4979 618.34878 116.962135314941 0.616344907776959 618.57048 1 4981 FALSE "35" 103.955810385967 103.955780029297 103.955848693848 586.468944 580.982448 592.840296 13279933.8286064 13279921.0586162 1119846.875 1107010 NA NA NA NA 37798 1 3 723 720 726 717 730 1 3420 "112621-Mix-Std-pos.mzML" 0.914459328978991 4049 4778 4776 591.93192 103.955841064453 0.295110840670136 592.19568 1 4778 TRUE "2216" 327.078509615476 327.078338623047 327.078674316406 553.95906 548.665956 562.893762 18238433.04737 18139453.4770099 1397251.75 151 NA NA NA NA 38225 1 3 687 684 690 681 697 1 3916 "112621-Mix-Std-pos.mzML" 0.854747344183719 3840 4534 4531 560.076294 327.078704833984 0.5968551961017 560.47407 1 4534 TRUE "337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.374577604014831 4102 4840 4839 600.03588 116.962173461914 0.145902360074672 600.1716 1 4840 FALSE "3034" 394.567626182733 394.567413330078 394.56787109375 357.707424 341.138448 378.759876 18207588.7017688 18207550.2054239 670660.1875 670659 NA NA NA NA 38294 0 9 466 457 475 447 490 1 4264 "112621-Mix-Std-pos.mzML" 0.27475467158992 2546 3024 3019 368.317854 394.567718505859 0.233985559587591 368.965296 1 3024 FALSE "4553" 715.16327387486 715.1630859375 715.163452148438 439.699512 425.44404 447.570012 49539923.7517714 49539900.7407605 2810780.5 2810780 NA NA NA NA 38407 0 5 559 554 564 543 568 1 4811 "112621-Mix-Std-pos.mzML" 1 3024 3582 3579 438.827262 715.163330078125 0.0785880193657301 439.217592 1 3582 TRUE "3315" 419.316387700819 419.316162109375 419.316467285156 677.67456 662.01234 705.46602 22251484.9106858 22067109.4260004 775259.8125 122 NA NA NA NA 38324 0 9 823 814 832 806 853 1 4437 "112621-Mix-Std-pos.mzML" 1 4725 5566 5560 694.37538 419.31640625 0.0442367183353887 695.16882 1 5566 TRUE "488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 0.00966344093006419 5567 6634 6632 828.18918 124.087097167969 0.152215088758691 828.42372 1 6634 FALSE "344" 116.96218728199 116.96215057373 116.962203979492 639.12918 634.62936 642.80586 19378629.5616248 19378620.4766248 2330604.25 2330603 NA NA NA NA 37831 0 3 781 778 784 776 785 1 3632 "112621-Mix-Std-pos.mzML" 0.348929965432854 4342 5120 5119 636.46524 116.962203979492 0.142759830883258 636.60186 1 5120 FALSE "3575" 468.390456645142 468.390319824219 468.390533447266 742.3614 736.93266 750.14112 9317883.6025549 9026154.60054058 1651192 138 NA NA NA NA 35389 0 3 895 892 898 255 270 1 2802 "112621-Mix-Std-pos.mzML" 1 5036 5929 5924 740.49636 468.390472412109 0.033662017016197 741.18228 1 5929 TRUE "711" 142.110301352725 142.110244750977 142.110366821289 835.13952 833.0466 836.88018 398513.166690207 398508.907156873 112450.96875 112450 NA NA NA NA 39507 0 3 1087 1084 1090 162 171 1 5073 "112621-Mix-Std-pos.mzML" 0.348062949812152 5601 6687 6684 834.5994 142.110336303711 0.245942664061604 834.93672 1 6687 FALSE "4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4245 5006 5000 620.99808 693.181457519531 0.222865435292718 621.77502 1 5006 TRUE "73" 105.954037601612 105.95401763916 105.954055786133 374.449284 371.788596 383.84658 7190816.68183631 7190803.76256773 626541.875 586772 NA NA NA NA 37801 0 3 485 482 488 482 496 1 3498 "112621-Mix-Std-pos.mzML" 0.434975579185665 2581 3065 3061 373.5327 105.954048156738 0.099619859481859 374.059854 1 3065 FALSE "4374" 710.207750591799 710.207458496094 710.207946777344 108.269754 87.295818 126.713472 219135512.631585 219135472.375257 7013994.5 7013994 NA NA NA NA 38402 0 13 176 163 189 151 198 1 4668 "112621-Mix-Std-pos.mzML" 1 849 1044 1038 124.1862 710.207824707031 0.104357114971823 124.93173 1 1044 TRUE "4103" 663.454565159079 663.454467773438 663.454772949219 797.74374 779.52714 803.67708 86687485.102612 86482951.5274504 6243668.5 253 NA NA NA NA 38378 0 5 960 955 965 123 151 1 4502 "112621-Mix-Std-pos.mzML" 1 5465 6430 6428 801.91194 663.454772949219 0.313194226355102 802.17114 1 6430 TRUE "3994" 610.184961506751 610.182250976562 610.18603515625 755.8023 728.0274 791.62044 90268811.1756026 89873098.1237361 3946269 414 NA NA NA NA 38368 0 15 912 897 927 95 169 1 4493 "112621-Mix-Std-pos.mzML" 0.28073726344588 5218 6142 6141 766.3473 610.185241699219 0.459192679324275 766.48992 1 6142 FALSE "3217" 403.106099703234 403.105834960938 403.107116699219 218.284896 216.023472 221.604618 1996160.5517624 1996155.76792297 1056255.5 1056254 NA NA NA NA 10618 3 3 305 302 308 99 106 1 667 "112621-Mix-Std-pos.mzML" 0.990296156203662 1509 1814 1808 218.284896 403.106018066406 0.20251945506336 218.991648 1 1814 TRUE "2894" 383.059365789853 383.059143066406 383.059539794922 125.852244 120.833574 129.193758 5566308.1123482 5566298.9161458 801598.8125 801598 NA NA NA NA 38271 1 3 197 194 200 191 201 1 4213 "112621-Mix-Std-pos.mzML" 0.477413048440871 852 1048 1045 125.055276 383.059387207031 0.0559108586657178 125.42673 1 1048 FALSE "205" 113.963942304805 113.963928222656 113.963958740234 305.817834 300.53421 310.268844 53546075.1223995 53546064.5027988 5374485 5374484 NA NA NA NA 37820 0 3 406 403 409 400 411 1 3546 "112621-Mix-Std-pos.mzML" 1 2142 2553 2550 310.268844 113.963943481445 0.0103246687632134 310.634418 1 2553 TRUE "326" 116.962165700053 116.96215057373 116.962181091309 306.69057 298.828638 311.092062 36856983.9316114 36856970.7922285 3117101.5 3117100 NA NA NA NA 37831 0 3 407 404 410 398 412 1 3637 "112621-Mix-Std-pos.mzML" 0.344393381322485 2128 2537 2536 308.491668 116.962181091309 0.131591742243429 308.627436 1 2537 FALSE "4197" 693.181002425239 693.180908203125 693.18115234375 481.283196 476.768292 486.6189 60654496.8284314 60653047.5044273 6630534 10993 NA NA NA NA 38392 0 3 606 603 609 601 612 1 4542 "112621-Mix-Std-pos.mzML" 1 3323 3931 3929 483.063222 693.180908203125 0.135927144013305 483.335724 1 3931 TRUE "2467" 355.070645329085 355.070343017578 355.071044921875 757.56852 752.91954 765.47388 5180923.06958434 5068294.25071932 742659.0625 68 NA NA NA NA 38244 1 5 914 909 919 136 151 1 3956 "112621-Mix-Std-pos.mzML" 0.440733698493392 5165 6080 6078 758.39742 355.070556640625 0.249776941353885 758.66508 1 6080 FALSE "99" 105.954062543075 105.954032897949 105.954124450684 577.346844 570.097938 584.61069 7512663.51876571 7512648.09896671 572207.375 572206 NA NA NA NA 37801 0 5 713 708 718 705 721 1 3478 "112621-Mix-Std-pos.mzML" 0.468763720397005 3943 4654 4650 575.60382 105.954048156738 0.135779003092456 576.095646 1 4654 FALSE "4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 653 816 814 97.351794 693.181213378906 0.212878116738318 97.581078 1 816 TRUE "4540" 715.163234669683 715.163146972656 715.163391113281 311.986632 308.491668 316.424484 21350168.1185039 21350159.3042639 3244341 3244340 NA NA NA NA 38407 0 3 413 410 416 409 418 1 4809 "112621-Mix-Std-pos.mzML" 1 2146 2558 2557 311.092062 715.163269042969 0.0480635524552273 311.235618 1 2558 TRUE "4222" 693.1811565857 693.181030273438 693.181274414062 432.596238 425.44404 439.699512 86951742.8323005 86949700.0389875 7466560.5 12379 NA NA NA NA 38392 0 5 551 546 556 543 559 1 4549 "112621-Mix-Std-pos.mzML" 1 2950 3496 3495 428.21271 693.181091308594 0.0941703420442485 428.356368 1 3496 TRUE "3322" 419.316463590464 419.316223144531 419.316955566406 322.55019 304.91706 323.279886 10037293.1436757 9957369.3410133 672683 132 NA NA NA NA 38324 0 13 425 412 438 405 426 1 4430 "112621-Mix-Std-pos.mzML" 1 2130 2539 2536 308.491668 419.316375732422 0.209526813157247 308.845266 1 2539 TRUE "331" 116.962172172737 116.962135314941 116.962203979492 663.81 660.1842 669.31818 20374030.7495679 20374020.7021899 2085692.625 2085692 NA NA NA NA 37831 1 3 808 805 811 804 814 1 3670 "112621-Mix-Std-pos.mzML" 0.343892203537787 4513 5319 5315 662.01234 116.962188720703 0.141481348010264 662.53392 1 5319 FALSE "2224" 327.078677364499 327.078582763672 327.078765869141 246.095598 239.061054 253.076724 24407729.0066923 24310225.2176394 1983469.75 214 NA NA NA NA 38225 0 5 337 332 342 329 345 1 3922 "112621-Mix-Std-pos.mzML" 0.844228152669368 1680 2014 2011 243.51912 327.078735351562 0.177287813815672 243.856254 1 2014 TRUE "1083" 174.031688562139 174.031631469727 174.03173828125 553.95906 550.489806 559.185864 10508329.0115618 10508320.3155038 3664543 3664542 NA NA NA NA 26261 0 3 687 684 690 99 109 1 1660 "112621-Mix-Std-pos.mzML" 0.0902252178052561 3803 4491 4489 554.773818 174.031707763672 0.110333545698501 554.993022 1 4491 FALSE "2916" 383.059387250322 383.05908203125 383.059722900391 202.299966 191.824608 209.201442 7908408.2819331 7908390.0362574 564474.25 564473 NA NA NA NA 38271 0 5 286 281 291 274 294 1 4208 "112621-Mix-Std-pos.mzML" 0.439230992229516 1406 1694 1689 203.983044 383.059356689453 0.0797810210813393 204.655476 1 1694 FALSE "4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 695 865 863 103.272444 693.181335449219 0.388979742301808 103.503096 1 865 TRUE "341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.370896199976426 3724 4399 4398 543.327408 116.962120056152 0.280631482376955 543.463962 1 4399 FALSE "4550" 715.162887367472 715.162658691406 715.1630859375 286.136058 278.368002 294.468438 77224114.6003444 77224097.652517 12277184 12277183 NA NA NA NA 38407 0 5 383 378 388 374 393 1 4793 "112621-Mix-Std-pos.mzML" 1 1985 2370 2368 287.735154 715.162902832031 0.0216238284971752 287.951238 1 2370 TRUE "1083" 174.031688562139 174.031631469727 174.03173828125 553.95906 550.489806 559.185864 10508329.0115618 10508320.3155038 3664543 3664542 NA NA NA NA 26261 0 3 687 684 690 99 109 1 1660 "112621-Mix-Std-pos.mzML" 0.256598761511488 3792 4478 4475 553.12566 174.031677246094 0.0650228987349136 553.468446 1 4478 FALSE "2321" 335.12597893651 335.125549316406 335.126220703125 726.38172 718.94454 735.05634 4564283.5584446 4439519.80651197 1153384.625 70 NA NA NA NA 34388 0 5 877 872 882 94 113 1 2381 "112621-Mix-Std-pos.mzML" 0.853864794899943 4934 5810 5805 725.487 335.126068115234 0.266105076258899 726.13122 1 5810 TRUE "340" 116.962172600437 116.962120056152 116.962203979492 49.4291022 40.6209354 56.866491 123667996.62501 123667979.567177 11283042 11283041 NA NA NA NA 37831 0 5 105 100 110 94 114 1 3639 "112621-Mix-Std-pos.mzML" 0.438360749598483 307 412 408 49.4291022 116.962181091309 0.0725950234649048 49.8379782 1 412 FALSE "341" 116.962152879415 116.962120056152 116.962173461914 546.03624 541.61034 550.489806 22668285.5276074 22668275.7601948 2470069.25 2470068 NA NA NA NA 37831 0 3 678 675 681 673 683 1 3669 "112621-Mix-Std-pos.mzML" 0.358867906918346 3760 4441 4440 548.665956 116.962173461914 0.175975722637561 548.803062 1 4441 FALSE "329" 116.962124146082 116.962104797363 116.96216583252 111.6063 106.589628 115.7295 42821655.3060241 42821645.3352546 4449985.5 4440574 NA NA NA NA 37831 0 3 180 177 183 174 185 1 3660 "112621-Mix-Std-pos.mzML" 0.359137647865607 779 963 961 114.951546 116.962181091309 0.486868954150606 115.165842 1 963 FALSE "726" 144.982355212277 144.982315063477 144.982437133789 107.431368 102.444066 110.710026 10872933.3301095 10872924.2375535 1470539.5 1470538 NA NA NA NA 37944 1 3 175 172 178 169 179 1 3735 "112621-Mix-Std-pos.mzML" 0.533731879577551 720 894 891 106.589628 144.982391357422 0.249307200421855 106.96491 1 894 TRUE "2210" 327.008882693625 327.008728027344 327.009002685547 619.2072 613.73544 627.32064 18285825.1701439 18130230.5909148 2299930.25 114 NA NA NA NA 35297 1 3 759 756 762 753 768 1 2759 "112621-Mix-Std-pos.mzML" 0.515562787986267 4254 5017 5014 622.79316 327.008911132812 0.0869676300438395 623.17026 1 5017 TRUE "2605" 374.053568051039 374.053161621094 374.053802490234 266.154306 258.250098 277.461 9557882.95104953 9557862.86692471 583474.375 583473 NA NA NA NA 38257 1 5 360 355 365 351 373 1 3994 "112621-Mix-Std-pos.mzML" 0.426727972427727 1875 2241 2235 271.444476 374.053466796875 0.270694286823706 272.232336 1 2241 FALSE "2241" 327.078693892354 327.07861328125 327.078765869141 745.90356 736.93266 750.79302 33826896.5627908 33730473.2296475 3132671.5 268 NA NA NA NA 38225 0 3 899 896 902 889 905 1 3946 "112621-Mix-Std-pos.mzML" 0.886201413192351 5086 5988 5987 748.67412 327.07861328125 0.246457827602114 748.81272 1 5988 TRUE "4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3898 4602 4601 569.173596 710.207702636719 0.356126113462884 569.317176 1 4602 TRUE "340" 116.962172600437 116.962120056152 116.962203979492 49.4291022 40.6209354 56.866491 123667996.62501 123667979.567177 11283042 11283041 NA NA NA NA 37831 0 5 105 100 110 94 114 1 3639 "112621-Mix-Std-pos.mzML" 0.420643837323985 267 365 359 43.9447608 116.962181091309 0.0725950234649048 44.631942 1 365 FALSE "4529" 715.163129783174 715.163024902344 715.163330078125 451.892196 447.570012 455.334072 18093555.7513041 18093547.1245708 2544287.25 2544286 NA NA NA NA 38407 0 3 573 570 576 568 577 1 4833 "112621-Mix-Std-pos.mzML" 1 3110 3682 3677 450.98676 715.163024902344 0.14665301628994 451.634916 1 3682 TRUE "96" 105.954002342051 105.953544616699 105.9541015625 773.43702 720.61788 803.67708 35689870.7961773 35689787.7369773 619203.375 611945 NA NA NA NA 37801 0 29 932 903 961 870 967 1 3458 "112621-Mix-Std-pos.mzML" 0.509358388624534 5073 5972 5966 745.90356 105.95401763916 0.1443750001233 746.75418 1 5972 TRUE "2261" 328.081903906798 328.081817626953 328.082153320312 715.45692 710.0616 720.61788 71690699.3946348 69603719.8421907 19438350 171 NA NA NA NA 35387 0 3 864 861 867 389 401 1 2801 "112621-Mix-Std-pos.mzML" 0.32194867422595 4838 5698 5693 711.9573 328.082153320312 0.760217223935449 712.61784 1 5698 FALSE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.359896284476066 3466 4098 4097 504.584694 116.96216583252 0.029571859202658 504.72126 1 4098 FALSE "488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5591 6674 6673 833.39508 124.087074279785 0.0322375062334752 833.53164 1 6674 TRUE "4414" 710.207777924407 710.207641601562 710.2080078125 401.45121 397.040682 405.96453 54696409.6850593 54696399.8688265 6669149 6669148 NA NA NA NA 38402 0 3 516 513 519 511 521 1 4669 "112621-Mix-Std-pos.mzML" 1 2793 3312 3306 404.182914 710.207824707031 0.0658717432404916 404.948466 1 3312 TRUE "350" 116.962196943955 116.96216583252 116.962226867676 608.23728 600.93324 616.5267 35535988.8512432 35535972.3405209 2231016.75 2231016 NA NA NA NA 37831 0 5 747 742 752 739 756 1 3656 "112621-Mix-Std-pos.mzML" 0.379883042356523 4139 4883 4881 605.58312 116.962188720703 0.0703069218369752 605.8059 1 4883 FALSE "743" 144.982371437867 144.982330322266 144.982421875 31.342587 20.9739168 66.775392 51082366.7330657 51082320.9315905 2275218.5 1422511 NA NA NA NA 37944 0 13 82 69 95 68 126 1 3734 "112621-Mix-Std-pos.mzML" 0.395460608469844 345 456 450 54.1674342 144.982376098633 0.0321471185603729 54.950466 1 456 FALSE "2719" 375.053855763715 375.052337646484 375.054962158203 448.413816 443.333592 453.67107 2380717.60297143 2380706.40403693 384935.21875 384934 NA NA NA NA 38259 7 3 569 566 572 563 575 1 4029 "112621-Mix-Std-pos.mzML" 0.274541423953132 3081 3648 3642 446.710164 375.054962158203 2.9499616417416 447.459858 1 3648 FALSE "3415" 438.379668903824 438.379272460938 438.3798828125 754.30062 750.79302 761.15934 12121300.7967946 12121290.4304746 1911824.125 1911823 NA NA NA NA 38332 0 3 910 907 913 99 112 1 4457 "112621-Mix-Std-pos.mzML" 1 5132 6041 6036 753.60036 438.379730224609 0.139880540805261 754.1139 1 6041 TRUE "4558" 715.163225248609 715.1630859375 715.163269042969 118.31922 115.7295 122.451132 11988815.5275615 11988807.9657255 1890949.25 1890948 NA NA NA NA 38407 0 3 188 185 191 185 193 1 4826 "112621-Mix-Std-pos.mzML" 1 806 994 989 118.31922 715.163269042969 0.0612368736550613 118.912848 1 994 TRUE "47" 103.955785515603 103.955749511719 103.955810546875 72.500244 68.372388 77.414766 10390534.8044684 10390524.9400561 1120218 1120217 NA NA NA NA 37798 0 3 133 130 136 128 139 1 3439 "112621-Mix-Std-pos.mzML" 0.79363060551583 509 648 646 77.414766 103.95580291748 0.167396907544867 77.67942 1 648 TRUE "85" 105.95406001321 105.954040527344 105.954078674316 599.113272 593.75469 603.74784 5111126.42167075 5111115.52005256 505246.84375 505246 NA NA NA NA 37801 0 3 737 734 740 731 742 1 3486 "112621-Mix-Std-pos.mzML" 0.44092605243628 4113 4852 4846 600.93324 105.954040527344 0.183908627714641 601.79442 1 4852 FALSE "2335" 336.123405880479 336.123352050781 336.123504638672 447.570012 442.508988 452.75907 1615062288.77115 1614841435.89063 506017216 25064 NA NA NA NA 25957 0 3 568 565 571 103 115 1 1574 "112621-Mix-Std-pos.mzML" 1 3072 3638 3635 445.928124 336.123352050781 0.160148615923678 446.266578 1 3638 TRUE "2248" 327.078662206367 327.078582763672 327.078765869141 201.410274 194.340042 208.319718 24041175.0460454 23943921.6589628 1874462.875 202 NA NA NA NA 38225 0 3 285 282 288 277 293 1 3919 "112621-Mix-Std-pos.mzML" 0.83540275740901 1343 1621 1619 195.244944 327.078735351562 0.223631815776686 195.582012 1 1621 TRUE "4200" 693.180994644561 693.180786132812 693.181274414062 275.757876 269.609082 281.878662 93845540.7760973 93843767.7839691 8669821 14374 NA NA NA NA 38392 0 5 371 366 376 364 378 1 4546 "112621-Mix-Std-pos.mzML" 1 1900 2271 2270 275.757876 693.180908203125 0.124702547131921 275.901438 1 2271 TRUE "4204" 693.181031085268 693.180908203125 693.18115234375 750.79302 745.90356 755.0475 2279465097.22381 2279463761.21488 690827200 1145356 NA NA NA NA 38392 0 3 905 902 908 899 911 1 4526 "112621-Mix-Std-pos.mzML" 1 5092 5995 5994 749.46408 693.181030273438 0.00117116621550902 749.60766 1 5995 TRUE "2219" 327.0786399872 327.078552246094 327.078735351562 262.631328 253.076724 269.609082 27971240.1794429 27857296.5925735 1737966.875 185 NA NA NA NA 38225 0 5 356 351 361 345 364 1 3935 "112621-Mix-Std-pos.mzML" 0.838128150876503 1807 2162 2158 261.825702 327.078643798828 0.0116535525495019 262.240878 1 2162 TRUE "906" 155.106869789221 155.106414794922 155.107025146484 745.90356 739.59168 749.46408 3168848.65948124 2821393.96533013 653223.1875 24 NA NA NA NA 35245 1 3 899 896 902 303 314 1 2726 "112621-Mix-Std-pos.mzML" 0.466025201951084 5067 5965 5959 745.01754 155.106903076172 0.214606556820688 745.78176 1 5965 FALSE "357" 116.962178928027 116.962158203125 116.962203979492 516.454506 508.307076 521.848482 34226784.7591508 34226770.3149844 2563026.5 2563026 NA NA NA NA 37831 0 3 645 642 648 636 651 1 3655 "112621-Mix-Std-pos.mzML" 0.36733833758 3574 4224 4223 520.947258 116.962203979492 0.21418432729833 521.083806 1 4224 FALSE "4534" 715.16313355615 715.162902832031 715.163269042969 471.499392 467.034066 476.768292 22899463.3553671 22899452.7362114 2470471.5 2425530 NA NA NA NA 38407 0 3 595 592 598 590 601 1 4835 "112621-Mix-Std-pos.mzML" 1 3251 3847 3845 472.384992 715.1630859375 0.0665843188501852 472.628796 1 3847 TRUE "99" 105.954062543075 105.954032897949 105.954124450684 577.346844 570.097938 584.61069 7512663.51876571 7512648.09896671 572207.375 572206 NA NA NA NA 37801 0 5 713 708 718 705 721 1 3478 "112621-Mix-Std-pos.mzML" 0.377217133508539 3909 4614 4608 570.097938 105.954002380371 0.567818757763399 570.826512 1 4614 FALSE "4410" 710.207842287075 710.207458496094 710.208190917969 782.00022 773.43702 789.80868 188348902.885368 188348885.652042 13920590 13920589 NA NA NA NA 38402 0 5 942 937 947 932 951 1 4691 "112621-Mix-Std-pos.mzML" 1 5284 6219 6218 775.90596 710.207885742188 0.0611864723686991 776.11578 1 6219 TRUE "4858" 1007.44552132717 1007.44512939453 1007.44586181641 750.79302 745.90356 755.8023 82341008.6522667 82242207.1010996 20368602 1403 NA NA NA NA 36806 1 3 905 902 908 157 170 1 3189 "112621-Mix-Std-pos.mzML" 1 5091 5993 5987 748.67412 1007.4453125 0.207283830309499 749.3553 1 5993 TRUE "1158" 181.049905887963 181.049850463867 181.04997253418 297.169194 291.949002 302.389542 24728891.380253 24712502.3002657 7461554 1428 NA NA NA NA 15435 0 3 396 393 399 101 113 1 1012 "112621-Mix-Std-pos.mzML" 0.879721275687065 2051 2447 2445 297.169194 181.049896240234 0.0532876776851997 297.435366 1 2447 TRUE "4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2236 2663 2662 324.137736 693.181213378906 0.159315469635912 324.281322 1 2663 TRUE "488" 124.087078280043 124.087051391602 124.087104797363 832.48656 821.93232 839.71686 643254675.498166 640307081.714018 46021640 267 NA NA NA NA 39454 0 9 1080 1071 1089 134 188 1 5028 "112621-Mix-Std-pos.mzML" 1 5618 6717 6716 838.67904 124.087097167969 0.152215088758691 838.8156 1 6717 TRUE "353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.133190909376657 3070 3636 3635 445.928124 116.962043762207 0.225851846705213 446.063844 1 3636 FALSE "3064" 394.567539354393 394.567413330078 394.567718505859 125.852244 119.172618 133.414992 12457891.3010857 12457876.220925 979412.5 971216 NA NA NA NA 38294 0 5 197 192 202 189 206 1 4282 "112621-Mix-Std-pos.mzML" 0.209288883193342 884 1085 1080 129.193758 394.567413330078 0.319398587920465 129.8091 1 1085 FALSE "3249" 409.383629110306 409.383575439453 409.383697509766 798.45294 792.41448 803.67708 125222896.087104 125222884.824504 22936992 22936991 NA NA NA NA 38313 0 3 961 958 964 102 115 1 4414 "112621-Mix-Std-pos.mzML" 1 5408 6363 6358 793.34184 409.383605957031 0.0565564251634289 794.00406 1 6363 TRUE "337" 116.962190526974 116.96215057373 116.962249755859 585.499998 568.24977 600.93324 75333619.5975388 75333586.0061947 2396871.75 2396871 NA NA NA NA 37831 0 5 722 717 727 703 739 1 3631 "112621-Mix-Std-pos.mzML" 0.177226948223838 4073 4806 4804 595.490124 116.962203979492 0.115015958806865 595.74765 1 4806 FALSE "4407" 710.207724454158 710.207580566406 710.207885742188 767.27478 755.8023 772.52448 281138855.125481 281138837.523186 33153350 16574674 NA NA NA NA 38402 0 3 925 922 928 912 931 1 4705 "112621-Mix-Std-pos.mzML" 1 5244 6172 6169 769.788 710.207885742188 0.22709979656771 770.15232 1 6172 TRUE "4229" 693.181102944433 693.180603027344 693.181396484375 329.251866 307.578918 343.708554 253149088.295912 253144099.489649 9107625 15100 NA NA NA NA 38392 0 21 433 412 454 408 450 1 4528 "112621-Mix-Std-pos.mzML" 1 2224 2649 2648 322.55019 693.181213378906 0.159315469635912 322.693764 1 2649 TRUE "355" 116.962161735654 116.96208190918 116.962219238281 765.47388 749.46408 775.90596 56916919.4019698 56916892.133781 2495210.75 2495210 NA NA NA NA 37831 0 11 923 912 934 903 935 1 3641 "112621-Mix-Std-pos.mzML" 0.394274538013731 5277 6210 6204 774.15558 116.962181091309 0.165486462098935 774.8745 1 6210 FALSE "348" 116.962179814881 116.962127685547 116.962226867676 412.955484 405.07398 422.868564 49672959.7601538 49672941.0758406 2788807 2753994 NA NA NA NA 37831 0 5 529 524 534 520 540 1 3625 "112621-Mix-Std-pos.mzML" 0.140364913827136 2862 3393 3390 414.772362 116.962181091309 0.0109131642796129 415.154118 1 3393 FALSE "4394" 710.207955560318 710.207702636719 710.208435058594 577.346844 566.453892 586.468944 89503682.7688309 89503661.8440038 5584779.5 5584778 NA NA NA NA 38402 0 7 713 706 720 701 723 1 4684 "112621-Mix-Std-pos.mzML" 1 3983 4701 4699 581.930736 710.2080078125 0.0735730737409991 582.188526 1 4701 TRUE "1327" 204.138681962859 204.138580322266 204.138946533203 714.60618 706.39704 722.96436 9570458.05006276 8936448.34246252 1846335.875 60 NA NA NA NA 35271 0 5 863 858 868 267 286 1 2745 "112621-Mix-Std-pos.mzML" 1 4842 5703 5700 712.87494 204.138717651367 0.174824816888302 713.24922 1 5703 TRUE "2403" 345.571373886851 345.571228027344 345.571563720703 338.639574 333.568596 343.708554 5519469.67131183 5511659.10170433 1534446.75 354 NA NA NA NA 16638 1 3 444 441 447 98 110 1 1210 "112621-Mix-Std-pos.mzML" 0.789351084370073 2332 2775 2774 337.831242 345.571228027344 0.422082146820886 337.969794 1 2775 TRUE "3311" 419.31630078461 419.316009521484 419.316589355469 275.757876 272.357532 281.004792 5262489.31127495 5222970.44871528 641769.8125 130 NA NA NA NA 38324 0 3 371 368 374 367 377 1 4447 "112621-Mix-Std-pos.mzML" 1 1925 2300 2298 279.21633 419.316314697266 0.0331793810723244 279.485238 1 2300 TRUE "1545" 239.106498047818 239.1064453125 239.106567382812 59.2672884 55.9895172 63.45429 65780299.871175 65779545.6815473 25520616 20486 NA NA NA NA 4292 0 3 117 114 120 99 108 1 385 "112621-Mix-Std-pos.mzML" 1 368 483 478 57.61881 239.106506347656 0.0347118895718669 58.2059862 1 483 TRUE "998" 163.039218470629 163.039154052734 163.039291381836 297.169194 291.949002 302.389542 159518195.43908 159384394.546605 46056800 4201 NA NA NA NA 20276 0 3 396 393 399 106 118 1 1415 "112621-Mix-Std-pos.mzML" 0.854665814286992 2034 2427 2424 294.468438 163.039260864258 0.26002104997945 294.796842 1 2427 TRUE "4905" 1076.31064153646 1076.31005859375 1076.31103515625 782.00022 774.15558 789.80868 35201949.0038674 35056951.5883198 9981914 468 NA NA NA NA 38441 0 5 942 937 947 124 142 1 4970 "112621-Mix-Std-pos.mzML" 1 5307 6245 6239 778.59498 1076.310546875 0.0879499451098 779.40546 1 6245 TRUE "4224" 693.181121461712 693.181030273438 693.181213378906 677.67456 672.19974 683.24178 40121560.5969502 40119947.2591487 4146438.5 6874 NA NA NA NA 38392 0 3 823 820 826 817 829 1 4538 "112621-Mix-Std-pos.mzML" 1 4577 5394 5392 672.19974 693.18115234375 0.0445511822275131 672.47232 1 5394 TRUE "336" 116.962162373731 116.962112426758 116.962211608887 483.063222 469.688448 508.307076 96730336.516811 96730297.0000753 2600468 2623506 NA NA NA NA 37831 0 21 608 587 629 593 636 1 3633 "112621-Mix-Std-pos.mzML" 0.367601535816109 3430 4056 4055 499.197606 116.962173461914 0.0948014546240532 499.334172 1 4056 FALSE "4049" 630.134585817354 630.134399414062 630.137573242188 338.639574 335.218674 342.794274 2447900.23640651 2447893.50253985 999358.1875 999357 NA NA NA NA 16361 1 3 444 441 447 99 108 1 1174 "112621-Mix-Std-pos.mzML" 0.659710143556856 2344 2789 2788 339.496614 630.134704589844 0.188487495010045 339.638196 1 2789 TRUE "339" 116.96213583239 116.962097167969 116.962173461914 275.757876 273.211956 280.127796 22289582.44968 22289574.66936 3001595.5 3001594 NA NA NA NA 37831 0 3 371 368 374 368 376 1 3651 "112621-Mix-Std-pos.mzML" 0.385860522822 1932 2308 2305 280.127796 116.962142944336 0.0608055373713343 280.502544 1 2308 FALSE "235" 113.963974277504 113.96395111084 113.963989257812 701.81532 696.32448 707.33184 17663461.9761601 17663450.0515201 1590812.25 1590811 NA NA NA NA 37820 0 3 849 846 852 843 855 1 3571 "112621-Mix-Std-pos.mzML" 0.830448550067626 4768 5617 5616 701.81532 113.963966369629 0.0693892566209124 701.9511 1 5617 TRUE "330" 116.962187307174 116.962120056152 116.962242126465 711.9573 694.37538 722.96436 59256930.7473248 59256901.2649392 2293238.25 2293237 NA NA NA NA 37831 0 5 860 855 865 841 873 1 3627 "112621-Mix-Std-pos.mzML" 0.315605871532843 4901 5772 5770 721.36992 116.96223449707 0.403462837212645 721.60104 1 5772 FALSE "73" 105.954037601612 105.95401763916 105.954055786133 374.449284 371.788596 383.84658 7190816.68183631 7190803.76256773 626541.875 586772 NA NA NA NA 37801 0 3 485 482 488 482 496 1 3498 "112621-Mix-Std-pos.mzML" 0.398257799045632 2582 3066 3061 373.5327 105.954048156738 0.099619859481859 374.1879 1 3066 FALSE "2130" 315.19627706384 315.196075439453 315.196624755859 708.22302 699.96222 716.34762 2243829.31352422 2020936.30892383 419767.625 39 NA NA NA NA 34148 1 5 856 851 861 109 127 1 2313 "112621-Mix-Std-pos.mzML" 0.863061950216948 4809 5664 5658 707.33184 315.196075439453 0.63967883470728 708.08676 1 5664 TRUE "322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.352444217604826 484 619 618 74.115162 116.962104797363 0.329649304674107 74.250924 1 619 FALSE "34" 103.955818801738 103.955787658691 103.955879211426 576.486246 570.959748 580.982448 11476158.4690704 11476147.5352159 1129094.75 1129094 NA NA NA NA 37798 0 3 712 709 715 706 717 1 3437 "112621-Mix-Std-pos.mzML" 0.926085088126455 3925 4633 4629 572.87115 103.95580291748 0.152798155900777 573.37488 1 4633 TRUE "4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4252 5015 5014 622.79316 693.181396484375 0.134814652643347 622.93686 1 5015 TRUE "4546" 715.163202262687 715.162902832031 715.163391113281 370.950972 364.767018 378.759876 35256535.32529 35256520.4578784 3035462.75 2874174 NA NA NA NA 38407 0 5 481 476 486 474 490 1 4822 "112621-Mix-Std-pos.mzML" 1 2573 3056 3054 372.66033 715.163391113281 0.264066430256483 372.898314 1 3056 TRUE "4383" 710.207817864426 710.207702636719 710.207885742188 303.264486 296.314356 307.578918 66079925.1341575 66079913.0030907 6845788 6845787 NA NA NA NA 38402 0 3 403 400 406 395 408 1 4696 "112621-Mix-Std-pos.mzML" 1 2116 2523 2522 306.69057 710.207946777344 0.181514360267532 306.834162 1 2523 TRUE "2423" 348.990870195785 348.990692138672 348.991058349609 619.2072 613.73544 626.43528 8342635.98416525 7981619.19338913 1091904.875 30 NA NA NA NA 35012 1 3 759 756 762 282 296 1 2630 "112621-Mix-Std-pos.mzML" 0.889980602087821 4220 4977 4972 617.43048 348.990692138672 0.51020564853178 618.09198 1 4977 TRUE "835" 150.102743975273 150.10270690918 150.102783203125 822.78378 821.73084 825.7827 9675716.3677882 9675711.9782732 2666172.25 2666171 NA NA NA NA 39521 0 3 1050 1047 1053 127 139 1 5077 "112621-Mix-Std-pos.mzML" 0.983644801761891 5537 6586 6584 822.48582 150.102767944336 0.159684373069014 822.71412 1 6586 TRUE "2633" 374.053696526901 374.053466796875 374.053863525391 125.852244 121.614252 129.193758 6560691.2788207 6560682.85714737 951157.9375 951157 NA NA NA NA 38257 0 3 197 194 200 192 201 1 4001 "112621-Mix-Std-pos.mzML" 0.40887216265034 877 1077 1073 128.319948 374.053649902344 0.124646694480969 128.8185 1 1077 FALSE "4390" 710.208045704211 710.207885742188 710.208251953125 594.622746 590.959974 599.113272 37507383.5144848 37507374.4552648 5553052 5553051 NA NA NA NA 38402 0 3 732 729 735 728 737 1 4703 "112621-Mix-Std-pos.mzML" 1 4088 4823 4818 597.311214 710.208068847656 0.0325868525678444 597.9459 1 4823 TRUE "58" 103.955703939176 103.955665588379 103.955757141113 447.570012 442.508988 453.67107 16291462.767834 16291450.7471303 1699299.75 1699299 NA NA NA NA 37798 0 3 568 565 571 562 575 1 3408 "112621-Mix-Std-pos.mzML" 0.942776117167745 3065 3630 3628 445.117338 103.95573425293 0.291602597830475 445.371792 1 3630 TRUE "884" 153.138864935078 153.138824462891 153.138900756836 210.974466 191.824608 233.80287 38220942.7773959 37946084.4632211 1250519.25 83 NA NA NA NA 37973 0 9 296 287 305 250 299 1 3794 "112621-Mix-Std-pos.mzML" 0.891545906373598 1420 1711 1710 206.549568 153.13883972168 0.164644021510942 206.686146 1 1711 TRUE "1037" 165.991238776833 165.991180419922 165.991333007812 23.072232 20.9739168 29.030976 14256076.4071459 13436864.1177854 2774198.25 16 NA NA NA NA 35251 1 3 71 68 74 68 79 1 2728 "112621-Mix-Std-pos.mzML" 0.333689186050086 151 230 226 29.030976 165.991409301758 1.02731280181439 29.4566028 1 230 FALSE "1413" 217.159261879455 217.159240722656 217.15934753418 721.36992 717.16692 726.38172 35985601.0137728 35912457.2388921 15078206 1465 NA NA NA NA 34884 0 3 871 868 874 99 110 1 2579 "112621-Mix-Std-pos.mzML" 1 4897 5767 5763 720.61788 217.159240722656 0.0974252654697473 721.03356 1 5767 TRUE "24" 103.955807204031 103.955795288086 103.955833435059 233.010894 228.530796 236.424492 9405416.51497867 9405407.74420534 1143391.125 1143390 NA NA NA NA 37798 0 3 322 319 325 317 326 1 3428 "112621-Mix-Std-pos.mzML" 0.918527121557341 1609 1931 1927 233.010894 103.955795288086 0.114625101365778 233.472486 1 1931 TRUE "4384" 710.207880512326 710.207641601562 710.211791992188 35.937783 20.2441728 51.7259328 144319527.986323 144319496.504563 7153124.5 7153124 NA NA NA NA 38402 0 23 88 65 111 66 108 1 4660 "112621-Mix-Std-pos.mzML" 1 227 319 317 39.1127064 710.207885742188 0.00736384553640281 39.3276348 1 319 TRUE "1844" 280.264123779974 280.263549804688 280.264190673828 758.39742 753.60036 763.70634 5718592.32794752 5662992.26294636 1462414.25 168 NA NA NA NA 38204 0 3 915 912 918 100 112 1 3891 "112621-Mix-Std-pos.mzML" 0.880010049718773 5161 6075 6071 757.56852 280.26416015625 0.129792838150359 758.0142 1 6075 TRUE "354" 116.962147021599 116.96208190918 116.962203979492 126.713472 115.7295 133.414992 76904626.540291 76904608.0126328 4405880 4405879 NA NA NA NA 37831 0 5 198 193 203 185 206 1 3635 "112621-Mix-Std-pos.mzML" 0.342613581122423 863 1061 1059 126.713472 116.962203979492 0.486977154564348 126.927774 1 1061 FALSE "3575" 468.390456645142 468.390319824219 468.390533447266 742.3614 736.93266 750.14112 9317883.6025549 9026154.60054058 1651192 138 NA NA NA NA 35389 0 3 895 892 898 255 270 1 2802 "112621-Mix-Std-pos.mzML" 0.936271876995383 5079 5979 5973 746.87286 468.390228271484 0.487571115590012 747.63234 1 5979 TRUE "4205" 693.181048724699 693.180541992188 693.181335449219 447.570012 446.710164 449.21709 25841047.2522116 25840596.4415915 8569556 14208 NA NA NA NA 38392 0 33 568 535 601 567 570 1 4524 "112621-Mix-Std-pos.mzML" 1 3088 3657 3656 448.413816 693.1806640625 0.554923132652001 448.557396 1 3657 TRUE "3312" 419.316580552849 419.316497802734 419.316650390625 722.96436 717.16692 729.74796 37645135.8200624 37589381.5030012 4350962 887 NA NA NA NA 38324 0 3 873 870 876 866 881 1 4424 "112621-Mix-Std-pos.mzML" 1 4888 5757 5756 719.81046 419.316528320312 0.124565874562321 719.95014 1 5757 TRUE "4208" 693.181303033378 693.180969238281 693.181518554688 622.79316 614.6313 630.10008 65078592.1893452 65076383.2004431 4595294.5 7619 NA NA NA NA 38392 0 5 763 758 768 754 771 1 4544 "112621-Mix-Std-pos.mzML" 1 4202 4956 4951 614.6313 693.181213378906 0.129337695304767 615.27348 1 4956 TRUE "4570" 715.163254099852 715.1630859375 715.163391113281 676.7544 656.58264 704.54232 69578299.1122545 69578250.230273 1954280.125 1920786 NA NA NA NA 38407 0 13 822 809 835 800 852 1 4800 "112621-Mix-Std-pos.mzML" 1 4774 5624 5623 702.70656 715.163269042969 0.0208946926819142 702.85014 1 5624 TRUE "4405" 710.207819658852 710.207763671875 710.207946777344 677.67456 672.19974 684.18426 45189219.9174853 45189207.0110791 4370560.5 4370560 NA NA NA NA 38402 0 3 823 820 826 817 830 1 4681 "112621-Mix-Std-pos.mzML" 1 4643 5471 5469 682.3158 710.207885742188 0.0930478844337844 682.58898 1 5471 TRUE "1161" 181.072319077414 181.072265625 181.072418212891 218.284896 214.338342 223.402842 658854359.939441 658854350.050895 251710320 251710319 NA NA NA NA 13713 0 3 305 302 308 100 111 1 830 "112621-Mix-Std-pos.mzML" 0.00537195305257066 1506 1811 1808 218.284896 181.072296142578 0.126661193629649 218.622102 1 1811 FALSE "2221" 327.078749301225 327.078704833984 327.078765869141 152.201832 147.940452 158.167134 17062926.4978116 16990386.8322845 1779015 184 NA NA NA NA 38225 0 3 228 225 231 223 235 1 3929 "112621-Mix-Std-pos.mzML" 0.84334705241001 1049 1278 1276 153.045678 327.078735351562 0.0426492475867067 153.307128 1 1278 TRUE "333" 116.962179849084 116.96215057373 116.962203979492 233.010894 226.823238 237.332574 32161734.5353591 32161723.1502451 2956433.25 2956432 NA NA NA NA 37831 0 3 322 319 325 315 327 1 3650 "112621-Mix-Std-pos.mzML" 0.142092967190484 1597 1917 1913 231.264216 116.962203979492 0.206309492610889 231.722826 1 1917 FALSE "4568" 715.163066935291 715.162902832031 715.163269042969 566.453892 560.076294 571.943166 23668812.5841793 23668799.804471 2325535.25 2325534 NA NA NA NA 38407 0 3 701 698 704 694 707 1 4838 "112621-Mix-Std-pos.mzML" 1 3865 4563 4559 563.81274 715.163024902344 0.0587739351304856 564.27792 1 4563 TRUE "1648" 252.997773212406 252.997650146484 252.997848510742 619.2072 613.73544 626.43528 10852988.9494603 10229620.0528024 1463932.5 28 NA NA NA NA 35283 1 3 759 756 762 283 297 1 2752 "112621-Mix-Std-pos.mzML" 0.801909743790259 4261 5025 5021 623.66706 252.997833251953 0.23731255221016 624.18222 1 5025 TRUE "4372" 710.207820470465 710.207702636719 710.2080078125 499.197606 495.637944 503.70723 46933072.7872057 46933063.8213324 6741982.5 6741982 NA NA NA NA 38402 0 3 626 623 629 622 631 1 4667 "112621-Mix-Std-pos.mzML" 1 3418 4042 4041 497.460924 710.207885742188 0.0919051031159651 497.604606 1 4042 TRUE "316" 116.962201680586 116.962181091309 116.962219238281 688.87824 684.18426 693.46494 20469225.1182179 20469214.9094699 2075236.75 2075236 NA NA NA NA 37831 0 3 835 832 838 830 840 1 3671 "112621-Mix-Std-pos.mzML" 0.346463487208635 4667 5499 5497 685.98438 116.962203979492 0.0196551212262219 686.37846 1 5499 FALSE "744" 144.982376836758 144.981811523438 144.982498168945 772.52448 721.36992 803.67708 88235714.21792 88235631.91076 1736307.5 1736306 NA NA NA NA 37944 0 27 931 904 958 871 967 1 3740 "112621-Mix-Std-pos.mzML" 0.676291178666466 5370 6319 6316 788.1705 144.982376098633 0.00509113627827522 788.52102 1 6319 TRUE "1002" 163.111988177123 163.111938476562 163.112182617188 491.188692 483.063222 499.197606 4890554.21240718 3873503.83911025 1022341.125 22 NA NA NA NA 34805 0 5 617 612 622 138 156 1 2563 "112621-Mix-Std-pos.mzML" 0.587832018620778 3366 3981 3978 489.303306 163.111999511719 0.0694896562948891 489.705756 1 3981 TRUE "882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.507617147067575 5072 5971 5966 745.90356 153.138854980469 0.10322990052214 746.6259 1 5971 TRUE "4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 904 1109 1108 132.653454 693.181091308594 0.0367764911748273 132.797028 1 1109 TRUE "882" 153.138870788979 153.138793945312 153.13899230957 782.88768 722.96436 803.67708 35445816.7370842 34927908.8992459 640807.0625 37 NA NA NA NA 37973 0 21 943 922 964 849 943 1 3797 "112621-Mix-Std-pos.mzML" 0.504841114896633 5240 6167 6162 768.8805 153.138900756836 0.195690725910966 769.5357 1 6167 TRUE "3038" 394.567578639671 394.567321777344 394.567810058594 246.991656 200.50002 250.462656 30249741.0265829 30249690.2025221 801169.0625 801168 NA NA NA NA 38294 0 19 338 319 357 284 342 1 4263 "112621-Mix-Std-pos.mzML" 0.284830917304596 1531 1840 1836 221.604618 394.567626953125 0.122446589924751 222.146142 1 1840 FALSE "325" 116.962179365363 116.962104797363 116.962242126465 156.56151 153.922452 209.201442 186581051.024556 186580994.881832 3909178.75 4102741 NA NA NA NA 37831 0 21 233 212 254 230 294 1 3629 "112621-Mix-Std-pos.mzML" 0.124247989312552 1218 1475 1472 177.026742 116.962135314941 0.376621069845959 177.408798 1 1475 FALSE "2584" 371.102217727502 371.101989746094 371.104309082031 758.39742 753.60036 763.70634 3355277.36323652 3328728.72647391 996368.9375 155 NA NA NA NA 36991 0 3 915 912 918 100 112 1 3271 "112621-Mix-Std-pos.mzML" 0.557199010999702 5162 6076 6071 757.56852 371.102142333984 0.203161054790698 758.1462 1 6076 TRUE "3155" 396.067369767109 396.067138671875 396.068908691406 26.117982 20.2441728 41.523807 24577829.8047458 24577808.5251116 1684485.25 1684484 NA NA NA NA 38298 0 7 75 68 82 66 95 1 4352 "112621-Mix-Std-pos.mzML" 0.299599522878859 129 204 198 26.117982 396.0673828125 0.0329373037314301 26.8296462 1 204 FALSE "3451" 443.335040197236 443.332580566406 443.335601806641 755.0475 747.75258 763.70634 8199211.26906731 8121304.22671472 1134353.75 103 NA NA NA NA 36791 1 5 911 906 916 95 115 1 3175 "112621-Mix-Std-pos.mzML" 0.782351506159476 5153 6066 6064 756.64734 443.335144042969 0.234237593291805 756.924 1 6066 TRUE "2763" 375.553982380921 375.553619384766 375.555297851562 23.072232 20.2441728 27.67011 13972777.3314834 13972769.9055462 3165640 3165639 NA NA NA NA 38261 1 3 71 68 74 66 77 1 4083 "112621-Mix-Std-pos.mzML" 0.243232710681052 87 155 149 20.9739168 375.553985595703 0.00856010777996085 21.6304548 1 155 FALSE "4388" 710.207750497219 710.207641601562 710.207885742188 79.91919 71.654064 86.464872 81481110.97787 81481095.3442393 6640350.5 6640350 NA NA NA NA 38402 0 5 142 137 147 132 150 1 4686 "112621-Mix-Std-pos.mzML" 1 543 687 681 81.526746 710.207824707031 0.104490288330273 82.274178 1 687 TRUE "2625" 374.053813163231 374.053619384766 374.054016113281 222.519018 218.284896 225.9444 3703629.6231025 3703621.1125425 539039.375 539038 NA NA NA NA 38257 1 3 310 307 313 305 314 1 4020 "112621-Mix-Std-pos.mzML" 0.420415504094326 1545 1856 1850 223.402842 374.053619384766 0.518049698803431 224.099046 1 1856 FALSE "4220" 693.181231587142 693.181091308594 693.181335449219 691.61142 685.09428 710.0616 79606208.1134132 79602716.0663987 3837063.75 5708 NA NA NA NA 38392 0 5 838 833 843 831 858 1 4553 "112621-Mix-Std-pos.mzML" 1 4793 5646 5644 705.46602 693.18115234375 0.114318433162195 705.76422 1 5646 TRUE "119" 105.954028633563 105.954010009766 105.954040527344 351.631116 347.216796 357.707424 6337365.42655122 6337354.06170422 623246.5 623246 NA NA NA NA 37801 0 3 459 456 462 454 466 1 3476 "112621-Mix-Std-pos.mzML" 0.463940499809452 2454 2917 2914 354.988572 105.954025268555 0.0317591331008459 355.373448 1 2917 FALSE "3300" 419.316437840557 419.316009521484 419.318176269531 36.7767408 11.8820052 93.193794 32432984.2515918 32106330.8083023 870918.6875 159 NA NA NA NA 38324 0 23 89 66 112 37 158 1 4421 "112621-Mix-Std-pos.mzML" 1 573 722 716 85.644996 419.316375732422 0.148117577714184 86.34045 1 722 TRUE "4216" 693.181083628211 693.180847167969 693.181274414062 180.522438 173.60319 191.824608 143112510.694433 143109936.155614 8974388 14588 NA NA NA NA 38392 0 5 261 256 266 253 274 1 4539 "112621-Mix-Std-pos.mzML" 1 1278 1545 1542 185.674236 693.181091308594 0.0110799076565201 186.095928 1 1545 TRUE "315" 116.962153856703 116.962127685547 116.962181091309 398.836758 391.803024 405.07398 37313813.6120921 37313799.4564057 2765079 2765078 NA NA NA NA 37831 0 5 513 508 518 505 520 1 3654 "112621-Mix-Std-pos.mzML" 0.376095679762577 2765 3280 3278 400.518108 116.96215057373 0.028068677073283 400.840608 1 3280 FALSE "322" 116.962143353853 116.962104797363 116.962173461914 79.109688 73.366812 89.860878 85723358.1468938 85723340.8281245 5532441.5 5532440 NA NA NA NA 37831 0 7 141 134 148 134 154 1 3642 "112621-Mix-Std-pos.mzML" 0.0554359299279456 483 617 611 73.366812 116.962104797363 0.329649304674107 73.99197 1 617 FALSE "1488" 228.232729174066 228.232666015625 228.232833862305 745.01754 739.59168 750.79302 5847850.49484279 5113189.59666418 1281423.125 25 NA NA NA NA 35385 0 3 898 895 901 423 436 1 2799 "112621-Mix-Std-pos.mzML" 1 5058 5955 5952 744.13626 228.232757568359 0.124409383783571 744.4995 1 5955 TRUE "4224" 693.181121461712 693.181030273438 693.181213378906 677.67456 672.19974 683.24178 40121560.5969502 40119947.2591487 4146438.5 6874 NA NA NA NA 38392 0 3 823 820 826 817 829 1 4538 "112621-Mix-Std-pos.mzML" 1 4613 5436 5434 677.67456 693.181091308594 0.0434996234858554 677.94054 1 5436 TRUE "4370" 710.207834256406 710.207580566406 710.2080078125 492.9333 485.760828 495.637944 54784072.1919775 54784061.4169418 6029825.5 5999048 NA NA NA NA 38402 1 3 619 616 622 611 622 1 4701 "112621-Mix-Std-pos.mzML" 1 3382 4000 3999 492.052896 710.207580566406 0.357205295553777 492.196548 1 4000 TRUE "3038" 394.567578639671 394.567321777344 394.567810058594 246.991656 200.50002 250.462656 30249741.0265829 30249690.2025221 801169.0625 801168 NA NA NA NA 38294 0 19 338 319 357 284 342 1 4263 "112621-Mix-Std-pos.mzML" 0.278582181438696 1573 1889 1885 227.6238 394.567749023438 0.431824042884407 228.164142 1 1889 FALSE "60" 103.95582172594 103.955795288086 103.955856323242 413.877864 407.620086 419.282754 15454703.9829345 15454691.4231381 1339073.125 1339072 NA NA NA NA 37798 1 3 530 527 533 523 536 1 3435 "112621-Mix-Std-pos.mzML" 0.930172725592126 2830 3356 3355 410.327964 103.955787658691 0.327708903500597 410.54814 1 3356 TRUE "764" 144.982369121955 144.982330322266 144.982437133789 256.528452 250.462656 264.339186 19386227.864373 19386213.1205599 1816344 1816343 NA NA NA NA 37944 0 5 349 344 354 342 358 1 3748 "112621-Mix-Std-pos.mzML" 0.691559717392693 1818 2175 2172 263.519478 144.982376098633 0.0481208673661084 263.851158 1 2175 TRUE "3315" 419.316387700819 419.316162109375 419.316467285156 677.67456 662.01234 705.46602 22251484.9106858 22067109.4260004 775259.8125 122 NA NA NA NA 38324 0 9 823 814 832 806 853 1 4437 "112621-Mix-Std-pos.mzML" 1 4597 5417 5413 674.91036 419.31640625 0.0442367183353887 675.44628 1 5417 TRUE "4195" 693.181065815826 693.180603027344 693.181335449219 112.460274 90.705714 136.883406 345631735.304489 345625394.104537 9416165 15611 NA NA NA NA 38392 0 21 181 160 202 155 210 1 4527 "112621-Mix-Std-pos.mzML" 1 754 934 933 111.6063 693.180908203125 0.227375947170409 111.749874 1 934 TRUE "218" 113.963944505501 113.963897705078 113.963996887207 82.395588 65.072832 104.019576 331015816.912758 331015777.13736 9965558 9965557 NA NA NA NA 37820 0 21 145 124 166 124 171 1 3528 "112621-Mix-Std-pos.mzML" 1 688 857 856 102.444066 113.963928222656 0.142877155819531 102.579828 1 857 TRUE "4411" 710.20800953954 710.207702636719 710.208312988281 620.12328 619.2072 637.32966 78150696.6505742 78150677.6219912 4764382.5 4764382 NA NA NA NA 38402 0 13 760 747 773 759 779 1 4666 "112621-Mix-Std-pos.mzML" 1 4246 5008 5007 621.90468 710.208190917969 0.255387754530749 622.04832 1 5008 TRUE "2767" 375.553708566198 375.553436279297 375.554107666016 92.314068 89.014944 96.520716 5061678.98291508 5061670.64316841 709992.0625 709991 NA NA NA NA 38261 1 3 157 154 160 153 162 1 4119 "112621-Mix-Std-pos.mzML" 0.278051506256101 613 769 765 91.498398 375.553802490234 0.2500948175051 91.950738 1 769 FALSE "1712" 259.242717553151 259.242645263672 259.242828369141 798.45294 792.41448 803.67708 3468878.7965567 3459038.32637854 618922.8125 158 NA NA NA NA 38184 0 3 961 958 964 100 113 1 3878 "112621-Mix-Std-pos.mzML" 0.738802657253287 5451 6413 6407 799.36854 259.242767333984 0.192024036807286 800.1054 1 6413 TRUE "332" 116.962146721136 116.962127685547 116.962181091309 241.74447 237.332574 246.095598 26927574.6275436 26927564.9882172 3056984 3056983 NA NA NA NA 37831 0 3 332 329 335 327 337 1 3662 "112621-Mix-Std-pos.mzML" 0.37897570008794 1637 1964 1962 237.332574 116.962188720703 0.359086837613655 237.554676 1 1964 FALSE "4415" 710.207868420118 710.207702636719 710.2080078125 662.92254 654.61218 670.2528 60873897.5039612 60873880.9433048 4633332 4633331 NA NA NA NA 38402 0 5 807 802 812 798 815 1 4685 "112621-Mix-Std-pos.mzML" 1 4535 5345 5343 665.65362 710.207885742188 0.0243901401199576 666.01776 1 5345 TRUE "2609" 374.053578387252 374.053253173828 374.0537109375 132.653454 129.193758 136.068306 5983092.27707775 5983084.54321125 896286.125 896285 NA NA NA NA 38257 0 3 205 202 208 201 209 1 3986 "112621-Mix-Std-pos.mzML" 0.182969812617073 909 1114 1108 132.653454 374.053649902344 0.191189432427364 133.291662 1 1114 FALSE "2222" 327.078739834249 327.078674316406 327.078826904297 731.5659 719.81046 736.93266 235318840.98126 235201127.133612 22530844 1362 NA NA NA NA 38225 0 3 883 880 886 869 889 1 3945 "112621-Mix-Std-pos.mzML" 0.942395223854138 4894 5764 5763 720.61788 327.078826904297 0.266205160162462 720.75642 1 5764 TRUE "4212" 693.181115806899 693.180969238281 693.181274414062 245.236656 240.802224 251.32227 83431224.9267456 83429687.8567943 9645783 15992 NA NA NA NA 38392 0 3 336 333 339 331 343 1 4530 "112621-Mix-Std-pos.mzML" 1 1720 2061 2060 249.66162 693.181030273438 0.123392660002148 249.805272 1 2061 TRUE "317" 116.962133296178 116.962112426758 116.96215057373 261.825702 257.402778 266.154306 27216986.9087016 27216977.2820208 3008548 3008547 NA NA NA NA 37831 0 3 355 352 358 350 360 1 3663 "112621-Mix-Std-pos.mzML" 0.373986453050899 1813 2169 2165 262.631328 116.962142944336 0.0824895894262954 263.135796 1 2169 FALSE "356" 116.96218000487 116.96216583252 116.962196350098 654.61218 649.13784 660.1842 24763769.4307899 24763757.4638999 2174903.5 2174902 NA NA NA NA 37831 0 3 798 795 801 792 804 1 3647 "112621-Mix-Std-pos.mzML" 0.348922684352807 4471 5270 5266 655.52436 116.962181091309 0.0092888007738686 656.18652 1 5270 FALSE "353" 116.962070178307 116.962043762207 116.962120056152 447.570012 441.663636 455.334072 38300715.366671 38300700.8418328 2924669.5 2924668 NA NA NA NA 37831 0 3 568 565 571 561 577 1 3634 "112621-Mix-Std-pos.mzML" 0.347156360760484 3052 3615 3614 443.333592 116.962173461914 0.883052149552079 443.469438 1 3615 FALSE "743" 144.982371437867 144.982330322266 144.982421875 31.342587 20.9739168 66.775392 51082366.7330657 51082320.9315905 2275218.5 1422511 NA NA NA NA 37944 0 13 82 69 95 68 126 1 3734 "112621-Mix-Std-pos.mzML" 0.303899155130925 338 448 443 53.353059 144.982345581055 0.178344528267727 53.9735358 1 448 FALSE "1465" 224.128617610522 224.128479003906 224.128723144531 98.142618 93.193794 103.272444 3079446.09979944 2512628.42972042 883174.1875 21 NA NA NA NA 13735 0 3 164 161 167 102 114 1 837 "112621-Mix-Std-pos.mzML" 0.490224467262005 655 818 814 97.351794 224.128555297852 0.278021929549366 97.78728 1 818 FALSE "2222" 327.078739834249 327.078674316406 327.078826904297 731.5659 719.81046 736.93266 235318840.98126 235201127.133612 22530844 1362 NA NA NA NA 38225 0 3 883 880 886 869 889 1 3945 "112621-Mix-Std-pos.mzML" 0.0444202575691271 4904 5775 5770 721.36992 327.078826904297 0.266205160162462 721.84728 1 5775 FALSE "2724" 375.553530333328 375.553344726562 375.553771972656 35.1419298 27.67011 40.6209354 16652452.5036392 16652438.7910005 1456899.75 1430680 NA NA NA NA 38261 1 3 87 84 90 77 94 1 4109 "112621-Mix-Std-pos.mzML" 0.279224949202238 229 321 317 39.1127064 375.553527832031 0.00666029387094126 39.5446302 1 321 FALSE "4564" 715.163193376895 715.162902832031 715.163452148438 524.51703 511.854708 543.327408 68124392.5089524 68124360.1370324 2638633.25 2638632 NA NA NA NA 38407 0 7 654 647 661 640 675 1 4806 "112621-Mix-Std-pos.mzML" 1 3700 4371 4370 539.728242 715.1630859375 0.150230599477031 539.871852 1 4371 TRUE "4400" 710.207968051065 710.207885742188 710.208129882812 610.96128 607.36614 615.54048 36795343.7435601 36795334.6609601 4733690 4733689 NA NA NA NA 38402 0 3 750 747 753 746 755 1 4704 "112621-Mix-Std-pos.mzML" 1 4172 4921 4916 610.03056 710.208129882812 0.227865293929827 610.69878 1 4921 TRUE "766" 144.982355750275 144.982284545898 144.982421875 120.833574 115.7295 125.852244 13426707.2049994 13426696.2386934 1600783.625 1402557 NA NA NA NA 37944 0 3 191 188 194 185 197 1 3760 "112621-Mix-Std-pos.mzML" 0.217673565479515 812 1001 996 119.172618 144.982345581055 0.07014108654452 119.751996 1 1001 FALSE "2218" 327.078684501818 327.078582763672 327.078735351562 220.72959 216.928968 225.112698 14558953.2609802 14500011.5595044 1827518.125 197 NA NA NA NA 38225 0 3 308 305 311 303 313 1 3941 "112621-Mix-Std-pos.mzML" 0.831158815900248 1553 1866 1864 225.112698 327.078735351562 0.155466396378162 225.381144 1 1866 TRUE "747" 144.98238800055 144.982315063477 144.982437133789 181.354044 175.26021 198.86109 27199032.79674 27199008.3217533 1563392.625 1563392 NA NA NA NA 37944 0 7 262 255 269 255 282 1 3755 "112621-Mix-Std-pos.mzML" 0.560775113473995 1309 1581 1577 190.116966 144.982376098633 0.0820921554670392 190.621674 1 1581 TRUE "4414" 710.207777924407 710.207641601562 710.2080078125 401.45121 397.040682 405.96453 54696409.6850593 54696399.8688265 6669149 6669148 NA NA NA NA 38402 0 3 516 513 519 511 521 1 4669 "112621-Mix-Std-pos.mzML" 1 2770 3286 3285 401.45121 710.207763671875 0.0200681156954049 401.594778 1 3286 TRUE "4531" 715.163024939979 715.162902832031 715.163208007812 263.519478 260.056602 270.465306 32271477.875888 32271466.599792 3395356 3395355 NA NA NA NA 38407 0 3 357 354 360 353 365 1 4828 "112621-Mix-Std-pos.mzML" 1 1850 2212 2207 267.929748 715.163146972656 0.170636167036332 268.483188 1 2212 TRUE