Mercurial > repos > workflow4metabolomics > ms2snoop

comparison test-data/smol/smol_precursors.tsv @ 5:78d5a12406c2 draft

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planemo upload commit a5f94dac9b268629399dc22c5d6ac48c5a85adc3
author workflow4metabolomics
date Fri, 05 Aug 2022 17:25:45 +0000
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4:856001213966 5:78d5a12406c2
1 "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"
2 "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
3 "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
4 "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
5 "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
6 "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
7 "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
8 "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
9 "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
10 "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
11 "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
12 "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
13 "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
14 "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
15 "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
16 "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
17 "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
18 "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
19 "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
20 "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
21 "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
22 "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
23 "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
24 "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
25 "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
26 "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
27 "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
28 "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
29 "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
30 "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
31 "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
32 "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
33 "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
34 "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
35 "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
36 "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
37 "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
38 "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
39 "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
40 "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
41 "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
42 "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
43 "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
44 "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
45 "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
46 "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
47 "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
48 "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
49 "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
50 "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
51 "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
52 "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
53 "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
54 "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
55 "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
56 "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
57 "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
58 "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
59 "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
60 "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
61 "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
62 "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
63 "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
64 "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
65 "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
66 "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
67 "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
68 "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
69 "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
70 "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
71 "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
72 "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
73 "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
74 "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
75 "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
76 "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
77 "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
78 "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
79 "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
80 "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
81 "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
82 "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
83 "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
84 "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
85 "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
86 "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
87 "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
88 "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
89 "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
90 "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
91 "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
92 "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
93 "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
94 "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
95 "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
96 "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
97 "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
98 "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
99 "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
100 "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
101 "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
102 "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
103 "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
104 "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
105 "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
106 "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
107 "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
108 "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
109 "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
110 "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
111 "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
112 "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
113 "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
114 "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
115 "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
116 "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
117 "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
118 "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
119 "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
120 "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
121 "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
122 "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
123 "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
124 "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
125 "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
126 "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
127 "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
128 "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
129 "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
130 "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
131 "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
132 "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
133 "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
134 "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
135 "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
136 "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
137 "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
138 "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
139 "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
140 "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
141 "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
142 "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
143 "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
144 "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
145 "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
146 "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
147 "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
148 "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
149 "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
150 "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
151 "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
152 "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
153 "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
154 "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
155 "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
156 "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
157 "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
158 "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
159 "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
160 "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
161 "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
162 "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
163 "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
164 "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
165 "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
166 "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
167 "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
168 "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
169 "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
170 "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
171 "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
172 "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
173 "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
174 "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
175 "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
176 "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
177 "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
178 "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
179 "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
180 "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
181 "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
182 "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
183 "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
184 "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
185 "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
186 "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
187 "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
188 "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
189 "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
190 "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
191 "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
192 "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
193 "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
194 "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
195 "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
196 "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
197 "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
198 "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
199 "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
200 "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
201 "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
202 "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
203 "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
204 "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
205 "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
206 "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
207 "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
208 "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
209 "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
210 "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
211 "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
212 "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
213 "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
214 "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
215 "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
216 "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
217 "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
218 "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
219 "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
220 "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
221 "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
222 "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
223 "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
224 "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
225 "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
226 "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
227 "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
228 "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
229 "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
230 "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
231 "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
232 "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
233 "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
234 "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
235 "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
236 "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
237 "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
238 "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
239 "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
240 "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
241 "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
242 "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
243 "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
244 "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
245 "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
246 "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
247 "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
248 "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
249 "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
250 "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
251 "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
252 "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
253 "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
254 "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
255 "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
256 "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
257 "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
258 "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
259 "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
260 "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
261 "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
262 "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
263 "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
264 "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
265 "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
266 "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
267 "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
268 "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
269 "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
270 "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
271 "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
272 "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
273 "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
274 "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
275 "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
276 "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
277 "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
278 "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
279 "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
280 "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
281 "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
282 "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
283 "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
284 "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
285 "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
286 "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
287 "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
288 "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
289 "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
290 "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
291 "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
292 "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
293 "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
294 "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
295 "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
296 "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
297 "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
298 "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
299 "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
300 "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
301 "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
302 "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
303 "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
304 "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
305 "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
306 "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
307 "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
308 "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
309 "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
310 "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
311 "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
312 "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
313 "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
314 "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
315 "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
316 "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
317 "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
318 "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
319 "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
320 "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
321 "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
322 "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
323 "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 "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
325 "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
326 "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
327 "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
328 "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
329 "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
330 "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
331 "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
332 "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
333 "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
334 "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
335 "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
336 "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
337 "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
338 "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
339 "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
340 "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
341 "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
342 "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
343 "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
344 "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
345 "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
346 "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
347 "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
348 "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
349 "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
350 "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
351 "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
352 "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
353 "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
354 "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
355 "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
356 "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
357 "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
358 "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
359 "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
360 "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
361 "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
362 "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
363 "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
364 "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
365 "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
366 "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
367 "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
368 "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
369 "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
370 "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
371 "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
372 "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
373 "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
374 "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
375 "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
376 "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
377 "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
378 "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
379 "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
380 "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
381 "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
382 "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
383 "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
384 "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
385 "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
386 "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
387 "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
388 "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
389 "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
390 "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
391 "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
392 "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
393 "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
394 "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
395 "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
396 "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
397 "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
398 "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
399 "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
400 "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
401 "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
402 "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
403 "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
404 "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
405 "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
406 "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
407 "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
408 "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
409 "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
410 "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
411 "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
412 "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
413 "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
414 "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
415 "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
416 "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
417 "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
418 "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
419 "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
420 "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
421 "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
422 "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
423 "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
424 "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
425 "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
426 "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
427 "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
428 "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
429 "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
430 "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
431 "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
432 "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
433 "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
434 "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
435 "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
436 "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
437 "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
438 "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
439 "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
440 "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
441 "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
442 "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
443 "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
444 "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
445 "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
446 "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
447 "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
448 "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
449 "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
450 "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
451 "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
452 "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
453 "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
454 "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
455 "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
456 "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
457 "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
458 "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
459 "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
460 "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
461 "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
462 "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
463 "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
464 "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
465 "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
466 "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
467 "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
468 "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
469 "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
470 "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
471 "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
472 "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
473 "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
474 "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
475 "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
476 "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
477 "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
478 "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
479 "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
480 "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
481 "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
482 "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
483 "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
484 "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
485 "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
486 "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
487 "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
488 "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
489 "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
490 "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
491 "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
492 "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
493 "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
494 "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
495 "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
496 "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
497 "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
498 "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
499 "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
500 "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
501 "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