comparison test-data/similarity/fill2.msp @ 0:169c72b2ce79 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
author recetox
date Thu, 27 Apr 2023 12:02:44 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:169c72b2ce79
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564
565
566 NAME: C013
567 IONMODE: Negative
568 SPECTRUMTYPE: Centroid
569 RETENTIONTIME: 471.03
570 RETENTIONINDEX: 3168.684211
571 NUM PEAKS: 55
572 78.0419730877832 2368518.0
573 78.0464517452347 27659608.0
574 80.0575686138474 4852405.0
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626 626.306607666438 7713203.0
627
628 NAME: C041
629 IONMODE: Negative
630 SPECTRUMTYPE: Centroid
631 RETENTIONTIME: 122.44
632 RETENTIONINDEX: 1079.198718
633 NUM PEAKS: 32
634 73.0841293753643 962537.0
635 92.9922681974622 25809589.0
636 93.5236243719193 7832508.0
637 93.9918503397022 4037554.0
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666
667 NAME: C050
668 IONMODE: Negative
669 SPECTRUMTYPE: Centroid
670 RETENTIONTIME: 128.53
671 RETENTIONINDEX: 1117.761905
672 NUM PEAKS: 26
673 72.0264235348245 4721310.0
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697 169.146107075272 101177.0
698 202.089475090678 1676418.0
699
700 NAME: C069
701 IONMODE: Negative
702 SPECTRUMTYPE: Centroid
703 RETENTIONTIME: 130.09
704 RETENTIONINDEX: 1125.190476
705 NUM PEAKS: 21
706 86.0056992427902 2711333.0
707 101.02092811015 3817939.0
708 102.01824104698 2389368.0
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724 235.106747182104 27798083.0
725 236.106761692076 1814974.0
726 237.101952207865 2170725.0
727
728 NAME: C014
729 IONMODE: Negative
730 SPECTRUMTYPE: Centroid
731 RETENTIONTIME: 149.98
732 RETENTIONINDEX: 1221.770833
733 NUM PEAKS: 52
734 71.0059844923227 3825886.0
735 71.9719666199499 2166479.0
736 71.9900274909774 5812873.0
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783 193.062734540397 1479505.0
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785 248.077454886349 1066716.0
786
787 NAME: C029
788 IONMODE: Negative
789 SPECTRUMTYPE: Centroid
790 RETENTIONTIME: 153.57
791 RETENTIONINDEX: 1240.46875
792 NUM PEAKS: 37
793 70.0777148746335 4628348.0
794 71.0311889268447 10348800.0
795 72.0264171131849 4675511.0
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830
831 NAME: C006
832 IONMODE: Negative
833 SPECTRUMTYPE: Centroid
834 RETENTIONTIME: 156.39
835 RETENTIONINDEX: 1255.15625
836 NUM PEAKS: 128
837 70.7588135394428 14991229.0
838 74.7662475018644 269297750.0
839 75.016693771762 29126586.0
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965
966 NAME: C037
967 IONMODE: Negative
968 SPECTRUMTYPE: Centroid
969 RETENTIONTIME: 164.57
970 RETENTIONINDEX: 1297.760417
971 NUM PEAKS: 35
972 88.065648072109 2909417.0
973 100.05774324508 570828303.0
974 104.052663354691 113057636.0
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1006 278.122767633947 41927737.0
1007
1008 NAME: C021
1009 IONMODE: Negative
1010 SPECTRUMTYPE: Centroid
1011 RETENTIONTIME: 174.46
1012 RETENTIONINDEX: 1347.777778
1013 NUM PEAKS: 43
1014 72.0264091966997 7472857.0
1015 88.0577088714458 75511733.0
1016 100.021291862912 145425986.0
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1055 307.137483661718 26795541.0
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1057
1058 NAME: C016
1059 IONMODE: Negative
1060 SPECTRUMTYPE: Centroid
1061 RETENTIONTIME: 179.44
1062 RETENTIONINDEX: 1372.929293
1063 NUM PEAKS: 52
1064 72.7865413795848 11053016.0
1065 76.0213646333752 59206242.0
1066 86.0420870540736 225533571.0
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1115 443.139940152175 432200.0
1116
1117 NAME: C025
1118 IONMODE: Negative
1119 SPECTRUMTYPE: Centroid
1120 RETENTIONTIME: 220.4
1121 RETENTIONINDEX: 1588.172043
1122 NUM PEAKS: 39
1123 86.0546034160969 4233859.0
1124 98.0546561234615 5879036.0
1125 98.0600901779517 9026381.0
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1159 341.207275674194 849848.0
1160 342.149108121168 8368804.0
1161 343.149777233033 14251513.0
1162
1163 NAME: C015
1164 IONMODE: Negative
1165 SPECTRUMTYPE: Centroid
1166 RETENTIONTIME: 235.46
1167 RETENTIONINDEX: 1656.403509
1168 NUM PEAKS: 52
1169 81.5257171655814 2342972.0
1170 116.088989702621 366927024.0
1171 117.088566719023 18779495.0
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1200 231.133869389741 403614327.0
1201 233.13059513764 91994730.0
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1203 238.038440194626 10702414.0
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1221
1222 NAME: C007
1223 IONMODE: Negative
1224 SPECTRUMTYPE: Centroid
1225 RETENTIONTIME: 255.61
1226 RETENTIONINDEX: 1743.632479
1227 NUM PEAKS: 119
1228 74.7662269069405 28659501.0
1229 75.0165394537007 5408289.0
1230 75.2655505326648 4908677.0
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1326 361.106769057519 2647198.0
1327 370.121305630407 77253072.0
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1346 448.145457454299 5816090.0
1347
1348 NAME: C042
1349 IONMODE: Negative
1350 SPECTRUMTYPE: Centroid
1351 RETENTIONTIME: 271.39
1352 RETENTIONINDEX: 1813.489583
1353 NUM PEAKS: 31
1354 73.0496913278189 28814308.0
1355 77.1200656369992 2610968.0
1356 78.0116637721411 1903654.0
1357 82.5993944596822 2937109.0
1358 105.14829183878 6300835.0
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1368 181.149572704242 5692404.0
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1374 197.177720887346 10094494.0
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1380 258.162446023868 14108970.0
1381 278.291413696853 3978698.0
1382 286.414411533465 4701336.0
1383 287.113120857513 14834782.0
1384 373.20242050704 7382425.0
1385
1386 NAME: C004
1387 IONMODE: Negative
1388 SPECTRUMTYPE: Centroid
1389 RETENTIONTIME: 281.14
1390 RETENTIONINDEX: 1864.270833
1391 NUM PEAKS: 133
1392 73.0442774196692 43427043.0
1393 76.7877765636581 36867611.0
1394 82.0287764397131 14403247.0
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1501 332.154553184823 25824792.0
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1503 334.16898677718 107798098.0
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1516 390.195061114161 13993459.0
1517 432.186649360652 22112168.0
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1522 522.237414197299 6572270.0
1523 554.264791787775 8367305.0
1524 555.265568698089 6612134.0
1525
1526 NAME: C002
1527 IONMODE: Negative
1528 SPECTRUMTYPE: Centroid
1529 RETENTIONTIME: 290.89
1530 RETENTIONINDEX: 1915.052083
1531 NUM PEAKS: 154
1532 74.0420834639321 120682786.0
1533 80.0494750602472 12339346.0
1534 82.0107698705264 8113847.0
1535 82.0525502295731 60894902.0
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1596 156.120166450827 7207510907.0
1597 156.127862778166 41072907.0
1598 157.097093417462 32026839.0
1599 157.121496619714 926586633.0
1600 158.099385920317 12616679.0
1601 158.124946605491 234352340.0
1602 160.097096389934 45502811.0
1603 164.094075508998 34423231.0
1604 165.084107046349 8145865.0
1605 166.079422233971 178017216.0
1606 166.104685302363 80292109.0
1607 167.07871269313 4507534.0
1608 167.082828184413 13060281.0
1609 167.099713290459 33540976.0
1610 168.058648244495 5700201.0
1611 168.083785856497 48614668.0
1612 170.082445253861 28135897.0
1613 170.099553031307 28093003.0
1614 174.076517369154 49839977.0
1615 174.103640753562 66052643.0
1616 174.112663155196 5611399476.0
1617 175.112170691358 833424254.0
1618 176.109466908977 366520262.0
1619 176.115493491049 47516513.0
1620 184.09719460417 42599922.0
1621 186.112626331526 117291912.0
1622 187.108107044473 22347464.0
1623 194.0743897508 8637337.0
1624 198.113011436307 16774760.0
1625 200.128530660802 474547422.0
1626 201.076108377723 46006626.0
1627 201.127096169995 52130161.0
1628 202.071563374098 11705583.0
1629 202.125165445139 33637559.0
1630 208.08987892552 12797967.0
1631 211.10767888855 43890336.0
1632 212.12878309912 45875600.0
1633 213.13636807691 35030810.0
1634 214.107807984073 285748748.0
1635 215.091931295473 234180262.0
1636 215.110674585538 36705109.0
1637 216.104580934199 20836364.0
1638 223.108076558568 11023160.0
1639 225.123655999268 36876138.0
1640 226.13153622958 230503051.0
1641 227.13043943876 10085174.0
1642 228.123249098843 71535895.0
1643 228.159905893646 362434420.0
1644 229.161937176139 38367663.0
1645 230.11510202532 1523196176.0
1646 230.139090546109 293710971.0
1647 230.156245628046 45899538.0
1648 231.116370377997 120829979.0
1649 238.119217265137 947506152.0
1650 239.121427840401 63610601.0
1651 239.139249070531 39299143.0
1652 240.099210617648 7249600.0
1653 240.115927718166 52952233.0
1654 240.123288794265 76462964.0
1655 241.118888018358 41168985.0
1656 243.170568177597 125330108.0
1657 244.154610797799 67993804.0
1658 254.129501750287 22468081.0
1659 254.15027250779 3541758949.0
1660 254.166344878179 23375802.0
1661 255.134464422483 9943127.0
1662 255.153455142685 389823786.0
1663 255.17059633608 62094050.0
1664 256.146875761737 243800132.0
1665 257.113547269649 157019561.0
1666 257.15089582724 26466261.0
1667 267.116330800132 19910509.0
1668 272.149988875225 105632286.0
1669 273.158421055509 86183840.0
1670 274.146840544661 38353426.0
1671 302.178660705055 15925694.0
1672 304.15803854925 24147305.0
1673 313.158276970897 15473630.0
1674 317.225363435622 262506151.0
1675 318.226361789138 56804918.0
1676 319.222337550035 23286345.0
1677 328.168552290245 125300682.0
1678 329.189024733197 158066255.0
1679 338.153719073072 54058937.0
1680 339.154593618751 14921199.0
1681 356.163893265203 202635184.0
1682 357.165536021859 53046367.0
1683 358.15756032522 10878972.0
1684 371.186890075188 108573235.0
1685 372.188435718142 25975848.0
1686
1687 NAME: C032
1688 IONMODE: Negative
1689 SPECTRUMTYPE: Centroid
1690 RETENTIONTIME: 293.8
1691 RETENTIONINDEX: 1930.208333
1692 NUM PEAKS: 37
1693 77.0385700377892 5323543.0
1694 97.0284464523265 17181168.0
1695 101.057276691524 24373530.0
1696 101.061050318588 23362152.0
1697 102.0545547641 18000207.0
1698 107.049178092153 5259667.0
1699 117.056256394175 19331208.0
1700 119.049208444226 6556810.0
1701 135.062499714989 46031035.0
1702 144.053477738533 13635725.0
1703 161.041476402708 11508318.0
1704 169.079018375922 18215238.0
1705 175.055505897625 9113762.0
1706 176.052466278487 24452258.0
1707 179.052334497828 3213462.0
1708 180.090606856118 23492333.0
1709 184.087743496986 9633402.0
1710 193.067673166181 17520968.0
1711 218.07617589558 9295248.0
1712 218.090165214098 45345145.0
1713 221.102841025724 24047780.0
1714 248.091817520042 9584686.0
1715 250.071128737698 39717545.0
1716 264.123968255395 30111084.0
1717 265.103712182846 7436142.0
1718 265.107288629308 75402743.0
1719 266.111080001919 24900167.0
1720 267.086687778924 32556612.0
1721 268.129715772248 30785623.0
1722 282.159255908762 17786888.0
1723 283.154778825553 21397685.0
1724 296.160515979017 12792658.0
1725 305.105780505281 19382666.0
1726 321.153363611387 47305902.0
1727 329.141929921441 15317245.0
1728 332.158873244121 13684549.0
1729 421.207975743072 24226802.0
1730
1731 NAME: C039
1732 IONMODE: Negative
1733 SPECTRUMTYPE: Centroid
1734 RETENTIONTIME: 294.04
1735 RETENTIONINDEX: 1931.458333
1736 NUM PEAKS: 33
1737 70.0371775180723 9802034.0
1738 79.0542666937278 8688980.0
1739 89.0386794726954 11620255.0
1740 91.0542504618771 30947093.0
1741 100.057744254947 496769873.0
1742 115.054168772455 6832970.0
1743 118.065786334856 15147158.0
1744 130.031878160532 72453339.0
1745 147.02636157237 5271163.0
1746 151.05716747583 7189660.0
1747 159.094722405838 132067111.0
1748 163.096954971874 92944620.0
1749 165.073061690929 21387568.0
1750 171.047209275619 17771318.0
1751 183.083656577519 22405730.0
1752 195.094697043323 12237813.0
1753 218.102502561969 5983687580.0
1754 280.154644213041 824926354.0
1755 281.157982765931 132165993.0
1756 282.15088194224 50345725.0
1757 283.117879745799 11305583.0
1758 292.116310171817 28849929.0
1759 314.123625565021 14770799.0
1760 319.157013077887 520878103.0
1761 331.157793066718 48572665.0
1762 333.136698745019 225287147.0
1763 334.137621195451 65125521.0
1764 335.132556913122 37587085.0
1765 354.1735334822 259207371.0
1766 355.175653733993 74511530.0
1767 366.136938125334 8687761.0
1768 382.167954545109 54003502.0
1769 383.170213072623 13715188.0
1770
1771 NAME: C033
1772 IONMODE: Negative
1773 SPECTRUMTYPE: Centroid
1774 RETENTIONTIME: 308.58
1775 RETENTIONINDEX: 2007.666667
1776 NUM PEAKS: 37
1777 73.531605989471 771447.0
1778 88.2802088536002 2354610.0
1779 88.2818766644288 646520.0
1780 92.0363412263476 2328206.0
1781 221.067303451741 3755641.0
1782 222.051669040714 10524048.0
1783 237.061565171865 687333.0
1784 238.083098637492 8557483.0
1785 240.062245509132 10178596.0
1786 256.093861318806 17484094.0
1787 265.057118076144 9145518.0
1788 266.058334909219 1732081.0
1789 269.101188102132 9654992.0
1790 278.101525992935 22792825.0
1791 279.072861058162 5897290.0
1792 279.108770697625 36753278.0
1793 280.081173889904 6128749.0
1794 280.107485275548 8521895.0
1795 281.087787944372 4837816.0
1796 281.105519178582 9807942.0
1797 282.091190977393 3649387.0
1798 283.084961315329 15684056.0
1799 294.132890613133 55588073.0
1800 295.103547633807 43574953.0
1801 311.081455573088 1326825.0
1802 337.096419323323 6588349.0
1803 338.09676853852 13272175.0
1804 339.09323718716 999466.0
1805 353.127560017149 144550661.0
1806 354.128795201405 49424632.0
1807 355.122537504109 47330949.0
1808 370.149102508131 10849913.0
1809 371.138589402205 14600447.0
1810 372.141582293114 4502669.0
1811 411.142649067185 2314906.0
1812 412.144697958491 466093.0
1813 480.136478938358 1216442.0
1814
1815 NAME: C003
1816 IONMODE: Negative
1817 SPECTRUMTYPE: Centroid
1818 RETENTIONTIME: 319.68
1819 RETENTIONINDEX: 2069.333333
1820 NUM PEAKS: 135
1821 79.7880892478518 18841042.0
1822 81.0447736395215 11849310.0
1823 82.0287915205732 8641431.0
1824 83.049137600019 33038328.0
1825 84.0525192390775 7478871.0
1826 87.0553285125512 74200004.0
1827 89.0417142929142 74233823.0
1828 90.0370022508945 13992895.0
1829 91.0210436941179 2390862.0
1830 93.044785299243 7452819.0
1831 94.0525975127288 10453244.0
1832 96.0444253536972 10903036.0
1833 99.0553397906279 10231908.0
1834 105.044808242391 6408829.0
1835 107.052294660788 6242866.0
1836 109.039650121962 5568695.0
1837 110.047462837666 5061668.0
1838 111.055323802391 5873056.0
1839 112.039298026444 3965753.0
1840 112.063146344341 6515958.0
1841 113.052882942859 8276419.0
1842 113.070935069309 6091506.0
1843 116.06489332999 7651769.0
1844 117.052272989142 3424764.0
1845 119.060398059581 5015688.0
1846 123.055298722957 6914458.0
1847 126.036934304886 7725659.0
1848 127.068555548084 6308443.0
1849 129.036692025662 122379411.0
1850 129.065799497037 22459026.0
1851 129.072869578599 357742590.0
1852 129.084157333304 8540678.0
1853 130.068355771428 19512498.0
1854 130.072660895986 17001807.0
1855 130.076400507348 21643851.0
1856 131.076042114677 42394426.0
1857 132.075235945687 15098771.0
1858 132.083789835617 26794170.0
1859 137.070988883611 9859706.0
1860 138.05493224095 3165654.0
1861 139.051175003371 7069320.0
1862 141.047778003792 23946731.0
1863 141.065923570004 9330027.0
1864 142.055705069575 6974963.0
1865 144.08382621206 24138104.0
1866 152.052612709208 12445682.0
1867 153.047862201653 13551007.0
1868 153.06050104986 5683251.0
1869 154.031798596314 9702495.0
1870 154.068135836281 22462918.0
1871 155.063488378907 17345256.0
1872 157.067778706704 305000842.0
1873 157.079041955576 23421863.0
1874 158.063049350607 79873894.0
1875 158.071192154163 24230537.0
1876 158.087223744981 44233946.0
1877 159.066220496597 14412715.0
1878 159.094678886574 63040570.0
1879 167.063455325892 21288707.0
1880 169.079013983553 42107910.0
1881 170.063237400093 16300891.0
1882 175.083575347646 36260729.0
1883 178.068296395536 5176174.0
1884 179.081486447783 7029930.0
1885 180.047488487863 6887272.0
1886 181.079036591706 29074392.0
1887 182.087014052977 13760713.0
1888 182.099591005081 6217729.0
1889 184.078890320729 22831122.0
1890 185.110259256924 10498695.0
1891 186.094277657113 33629523.0
1892 191.072955515118 17861044.0
1893 194.099507858777 7280353.0
1894 195.09471415495 25188698.0
1895 196.078795602271 6238390.0
1896 196.102396694031 10925562.0
1897 199.08955397795 9152031.0
1898 201.105247648349 119861528.0
1899 201.112359610286 31839556.0
1900 205.107609165375 288674074.0
1901 206.107497510189 35502636.0
1902 207.09499264929 14009572.0
1903 207.103984365352 24028098.0
1904 209.11035836202 11298196.0
1905 210.094325451895 13575347.0
1906 211.089848595549 23856594.0
1907 212.097009756898 13775311.0
1908 213.105228486782 73929890.0
1909 219.09527736534 8505195.0
1910 221.074300407885 14508487.0
1911 225.105533091326 19016199.0
1912 233.102475979575 15389167.0
1913 242.10246806473 19687380.0
1914 242.126657609235 11066324.0
1915 243.134206462776 50646552.0
1916 244.119452816047 30022076.0
1917 245.114820894281 11088338.0
1918 254.102870594529 5350655.0
1919 255.134441237269 46732255.0
1920 269.113908264442 46534893.0
1921 270.134437529958 7090136.0
1922 271.128972048701 37425633.0
1923 273.144669229945 9722721.0
1924 274.128730992046 139451474.0
1925 275.131908166958 15282348.0
1926 284.113416878425 8739042.0
1927 284.137011207473 19427028.0
1928 301.139887685895 13069124.0
1929 303.156554156078 27321286.0
1930 309.144715592211 11863564.0
1931 315.155169787866 65230453.0
1932 319.157101342607 733557628.0
1933 320.158352325734 176280305.0
1934 321.153241677135 74811478.0
1935 322.157191869663 33601762.0
1936 327.155355207603 17725445.0
1937 333.166397555812 53890077.0
1938 334.168322787397 15415305.0
1939 360.184205186806 23337977.0
1940 374.163526061853 21552675.0
1941 399.195205285978 19867111.0
1942 401.174241468972 35504809.0
1943 417.205717817748 23250105.0
1944 417.241711757457 19573381.0
1945 418.207654920137 17403027.0
1946 418.243205616146 12152742.0
1947 475.229231161579 2756806.0
1948 489.245871828029 38098072.0
1949 490.247019499098 8845886.0
1950 491.244269926889 10775524.0
1951 523.250368109965 33514393.0
1952 579.297280589764 6860747.0
1953 595.292757936577 18386300.0
1954 596.292128391308 11382024.0
1955 597.290217290809 5672650.0
1956
1957 NAME: C040
1958 IONMODE: Negative
1959 SPECTRUMTYPE: Centroid
1960 RETENTIONTIME: 321.31
1961 RETENTIONINDEX: 2078.388889
1962 NUM PEAKS: 33
1963 86.0600682921472 9381159.0
1964 95.0603938490297 15521059.0
1965 97.0397339680025 24014067.0
1966 101.041727191915 11405177.0
1967 109.076031398849 6450381.0
1968 110.060064337551 4270169.0
1969 114.054970932673 26844038.0
1970 116.052581648017 64632103.0
1971 127.057390248286 25205024.0
1972 143.063465628786 15227989.0
1973 153.066212511408 20308902.0
1974 155.052193908908 11192129.0
1975 171.094683162695 145870739.0
1976 173.086678279934 138408757.0
1977 179.063456376317 25151325.0
1978 185.07395505389 10245677.0
1979 189.105132424236 17876612.0
1980 194.089437340891 11945652.0
1981 204.1102479839 32749740.0
1982 207.032182874338 216347643.0
1983 212.073668395226 6004502.0
1984 223.088883694464 20724810.0
1985 227.121667702625 16834252.0
1986 235.100064731668 15241152.0
1987 243.114688975684 96867894.0
1988 255.11588382923 27970144.0
1989 259.141882711861 14063033.0
1990 260.113279665034 10908440.0
1991 285.144932643761 43021732.0
1992 286.128932061527 13523103.0
1993 286.148425364417 16693436.0
1994 313.139639980503 6608351.0
1995 375.195189950703 13408933.0
1996
1997 NAME: C043
1998 IONMODE: Negative
1999 SPECTRUMTYPE: Centroid
2000 RETENTIONTIME: 322.55
2001 RETENTIONINDEX: 2085.277778
2002 NUM PEAKS: 31
2003 156.059933874872 8912861.0
2004 177.039648677453 4799821.0
2005 181.115563600531 7195900.0
2006 193.09487906926 15763835.0
2007 200.09747430305 23843031.0
2008 231.116037759149 39959069.0
2009 271.118058631062 26038024.0
2010 280.166266545075 7691084.0
2011 289.110428902479 16656379.0
2012 320.145969537816 211414148.0
2013 322.141612926358 22208031.0
2014 331.157608063169 11160482.0
2015 353.091465715207 23781118.0
2016 366.135657911069 13102339.0
2017 367.143453851581 69977117.0
2018 379.161056373234 27830735.0
2019 382.168034222366 63631531.0
2020 383.168988095274 19107154.0
2021 384.162965662993 9508332.0
2022 394.178333716989 15610593.0
2023 419.192353431449 38878069.0
2024 420.193524293788 20283156.0
2025 442.162856005418 77198856.0
2026 443.158896747995 35519451.0
2027 455.178042324859 9719421.0
2028 456.186266752889 95734993.0
2029 457.187818940189 37674463.0
2030 458.182648048279 18615642.0
2031 507.225806261072 36709055.0
2032 508.226752580767 23206243.0
2033 509.224447477455 20751399.0
2034
2035 NAME: C106
2036 IONMODE: Negative
2037 SPECTRUMTYPE: Centroid
2038 RETENTIONTIME: 327.31
2039 RETENTIONINDEX: 2113.024691
2040 NUM PEAKS: 14
2041 107.060453875425 16786624.0
2042 108.031759954569 1145857.0
2043 126.078753273933 6569465.0
2044 140.106992964576 9610555.0
2045 223.16234404227 2833124.0
2046 315.179147857279 10357531.0
2047 342.191499357712 22669547.0
2048 343.195452147673 11955585.0
2049 352.14363537673 164050830.0
2050 353.195131688136 9878669.0
2051 412.227603861564 2097760.0
2052 431.14909170791 2788721.0
2053 431.256719028879 8035505.0
2054 471.251586123075 1314345.0
2055
2056 NAME: C048
2057 IONMODE: Negative
2058 SPECTRUMTYPE: Centroid
2059 RETENTIONTIME: 332.6
2060 RETENTIONINDEX: 2145.679012
2061 NUM PEAKS: 28
2062 72.5340064435056 602653.0
2063 81.5458075142691 748715.0
2064 132.549815754799 692988.0
2065 170.086332975955 14785949.0
2066 209.146835381513 5815023.0
2067 249.09266209649 6128782.0
2068 265.10006445182 42029006.0
2069 280.122070170931 10233102.0
2070 298.129092428406 4634830.0
2071 312.192410839247 3728981.0
2072 326.189386870785 60628380.0
2073 365.164412462921 15415134.0
2074 380.187494204804 6008176.0
2075 381.19028863997 4661698.0
2076 389.247712861929 1064591.0
2077 389.265859120232 2982934.0
2078 390.266611167546 1275499.0
2079 401.210234296709 11323028.0
2080 402.208423769061 9147276.0
2081 407.175441272852 9382473.0
2082 428.20358106623 17386556.0
2083 429.204289307621 8328453.0
2084 430.199491300068 7298945.0
2085 463.284669340964 6008338.0
2086 477.244130747149 11018691.0
2087 478.247323567868 8304980.0
2088 479.242460163612 13437070.0
2089 568.243094623967 1152688.0
2090
2091 NAME: C031
2092 IONMODE: Negative
2093 SPECTRUMTYPE: Centroid
2094 RETENTIONTIME: 343.13
2095 RETENTIONINDEX: 2209.611111
2096 NUM PEAKS: 37
2097 72.7865025490946 3119452.0
2098 84.0570125020815 10351640.0
2099 96.0569661170095 2101245.0
2100 96.0933491830713 8713172.0
2101 115.05421543577 2196595.0
2102 129.056845534746 17608689.0
2103 130.066123207302 20961857.0
2104 143.031168061935 1238230.0
2105 156.02646872089 2359707.0
2106 170.041790350486 9668481.0
2107 182.042138540521 1578868.0
2108 187.081147591519 10230195.0
2109 190.104681372046 18745425.0
2110 191.10831419311 24334094.0
2111 198.071978866131 4511635.0
2112 199.081355814471 1538475.0
2113 200.085103935158 378722.0
2114 200.089020900464 36174698.0
2115 202.09361267595 12120104.0
2116 202.104399178954 1496153674.0
2117 202.123405237656 6884529.0
2118 203.108034494641 185788584.0
2119 204.112019482859 10298841.0
2120 228.031146874981 17202036.0
2121 291.150224848427 252295104.0
2122 292.14944436683 42884849.0
2123 303.171143784156 22701791.0
2124 315.135057127894 26685169.0
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2126 340.274555519105 1187572.0
2127 357.281508371165 1404552.0
2128 378.173284553302 10451091.0
2129 378.191794242698 7062388.0
2130 386.21095819071 8210209.0
2131 405.185483504135 9722900.0
2132 408.094303631496 1224219.0
2133 415.227090004689 8222201.0
2134
2135 NAME: C023
2136 IONMODE: Negative
2137 SPECTRUMTYPE: Centroid
2138 RETENTIONTIME: 350.31
2139 RETENTIONINDEX: 2249.5
2140 NUM PEAKS: 43
2141 77.7885574396821 1590119.0
2142 124.075788278623 5681187.0
2143 125.083506885518 5177663.0
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2156 250.100377911659 17847527.0
2157 252.027456629912 1280764.0
2158 268.058077173001 804408.0
2159 284.089633213583 23032355.0
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2161 296.089123702051 15944328.0
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2181 504.203250053874 3671689.0
2182 604.221538169222 1054387.0
2183 605.223365106083 750123.0
2184
2185 NAME: C017
2186 IONMODE: Negative
2187 SPECTRUMTYPE: Centroid
2188 RETENTIONTIME: 363.28
2189 RETENTIONINDEX: 2321.555556
2190 NUM PEAKS: 52
2191 71.5249297468395 246824.0
2192 72.0444156740603 1726774.0
2193 96.0444072131039 11266100.0
2194 112.039308708706 6790422.0
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2197 152.034126557822 21633027.0
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2240 564.229867412985 1096065.0
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2242 566.230541338632 549961.0
2243
2244 NAME: C035
2245 IONMODE: Negative
2246 SPECTRUMTYPE: Centroid
2247 RETENTIONTIME: 419.04
2248 RETENTIONINDEX: 2687.619048
2249 NUM PEAKS: 36
2250 95.0603974165688 32407725.0
2251 96.0682831727683 18886041.0
2252 109.076038591831 7982766.0
2253 188.128421865281 16057927.0
2254 195.094898298977 19148777.0
2255 199.126238521047 6978513.0
2256 204.099626323395 456431665.0
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2262 222.118247897013 9312287.0
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2267 243.122924475103 38841337.0
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2269 262.137112258936 6121680.0
2270 271.118026464116 33196335.0
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2272 331.157780054126 26531872.0
2273 361.168017007879 75479202.0
2274 362.169988150521 20893295.0
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2278 449.202614049514 12609750.0
2279 526.301181556855 5373746.0
2280 528.299310062466 5674753.0
2281 606.30762070488 4480742.0
2282 607.310524726956 5466162.0
2283 621.33034309982 10593067.0
2284 622.333291642746 5309767.0
2285 623.329947150646 3299604.0
2286
2287 NAME: C047
2288 IONMODE: Negative
2289 SPECTRUMTYPE: Centroid
2290 RETENTIONTIME: 422.18
2291 RETENTIONINDEX: 2713.859649
2292 NUM PEAKS: 28
2293 84.0808191171686 103468958.0
2294 88.0577475337021 8848518.0
2295 98.0964571576452 16061374.0
2296 99.0998078996579 2174349.0
2297 100.00327941202 7260138.0
2298 112.112091323483 16111434.0
2299 118.104687668833 2169177.0
2300 139.068634728094 7008898.0
2301 155.107952200175 30701320.0
2302 155.112350628434 8291470.0
2303 183.13107483676 16644478.0
2304 185.146721109425 3122275.0
2305 197.146708574463 2805993.0
2306 203.139197668849 3424101.0
2307 215.140027552841 9165781.0
2308 229.155358701312 22347634.0
2309 244.178463814469 1523884.0
2310 257.186632571696 16541112.0
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2318 388.299098027846 1856218.0
2319 547.389445054236 2088026.0
2320 548.391059375424 1164631.0
2321
2322 NAME: C024
2323 IONMODE: Negative
2324 SPECTRUMTYPE: Centroid
2325 RETENTIONTIME: 424.04
2326 RETENTIONINDEX: 2730.175439
2327 NUM PEAKS: 40
2328 82.0651263569676 25308880.0
2329 92.9923118680449 16012167.0
2330 94.0651723611115 18262450.0
2331 106.894778739843 8499083.0
2332 108.892755028855 10025072.0
2333 108.910464238813 10018665.0
2334 110.042100519649 5719833.0
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2336 113.065488251705 3653171.0
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2341 174.112715553449 1374226795.0
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2355 289.147739066377 14621715.0
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2360 440.221484659875 8682110.0
2361 444.228496623713 32384256.0
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2363 482.218855944403 8976329.0
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2365 531.272877641484 12909294.0
2366 532.269866294195 6721522.0
2367 545.295284438011 6399860.0
2368
2369 NAME: C022
2370 IONMODE: Negative
2371 SPECTRUMTYPE: Centroid
2372 RETENTIONTIME: 424.58
2373 RETENTIONINDEX: 2734.912281
2374 NUM PEAKS: 43
2375 81.0573376366625 3562488.0
2376 94.9892845847694 3674630.0
2377 104.052672604488 21418307.0
2378 110.096434596163 9969661.0
2379 114.073428499901 155475232.0
2380 116.089026787899 1574885266.0
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2383 129.096900718872 103842083.0
2384 130.096424956022 3537439.0
2385 130.104732313687 128212693.0
2386 131.104195171215 4285997.0
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2388 141.096739267978 4815919.0
2389 142.104767574255 509329028.0
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2400 170.08258812398 13533638.0
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2403 173.097351471245 93145255.0
2404 182.13592579777 10898812.0
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2410 287.179115764836 8122367.0
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2415 331.221579609236 22559073.0
2416 346.258691633891 7261684.0
2417 347.253540501442 2643142.0
2418
2419 NAME: C030
2420 IONMODE: Negative
2421 SPECTRUMTYPE: Centroid
2422 RETENTIONTIME: 429.44
2423 RETENTIONINDEX: 2777.54386
2424 NUM PEAKS: 37
2425 78.7740531759659 645618.0
2426 79.5357286288103 801248.0
2427 81.0335514238126 13297955.0
2428 115.292633558058 424452.0
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2430 230.078810032037 4830561.0
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2432 315.102721812664 44899033.0
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2443 385.108311678976 1210089.0
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2445 391.117143776424 1641688.0
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2459 533.219885049753 5925076.0
2460 537.196467484454 1477548.0
2461 616.232702617502 612011.0
2462
2463 NAME: C038
2464 IONMODE: Negative
2465 SPECTRUMTYPE: Centroid
2466 RETENTIONTIME: 442.98
2467 RETENTIONINDEX: 2907.222222
2468 NUM PEAKS: 33
2469 99.0804884227928 3200739.0
2470 106.065225480003 8906112.0
2471 117.07012981231 22591795.0
2472 118.065215169466 8817869.0
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2499 566.351974463013 2747288.0
2500 567.27727231121 4861778.0
2501 568.279454709462 3420002.0
2502
2503 NAME: C026
2504 IONMODE: Negative
2505 SPECTRUMTYPE: Centroid
2506 RETENTIONTIME: 466.68
2507 RETENTIONINDEX: 3130.526316
2508 NUM PEAKS: 38
2509 136.039304645197 22701241.0
2510 139.038996520846 745717.0
2511 159.047273175015 8890554.0
2512 162.054978603596 570773.0
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2523 298.110609077946 33064195.0
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2528 358.149702869035 13042085.0
2529 376.161028159043 7153436.0
2530 414.176139400716 9074555.0
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2532 443.184966351151 1475104.0
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2545 627.308707841513 2019744.0
2546 684.329277730748 2352283.0
2547
2548 NAME: C005
2549 IONMODE: Negative
2550 SPECTRUMTYPE: Centroid
2551 RETENTIONTIME: 470.86
2552 RETENTIONINDEX: 3167.192982
2553 NUM PEAKS: 131
2554 71.0855421479009 5231278.0
2555 77.0385664511503 17152253.0
2556 82.0732634362063 9054909.0
2557 82.3283746811685 1196631.0
2558 88.3283941477269 1028014.0
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2661 313.288908703295 4682652.0
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2664 328.312060049446 31304469.0
2665 329.320206601031 103557452.0
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2667 331.326525286967 4234508.0
2668 339.3045672974 13077766.0
2669 340.312371786765 8034300.0
2670 341.315200175342 2483611.0
2671 342.327498389436 2394411.0
2672 346.263737151805 1026815.0
2673 354.32383876836 21123999.0
2674 367.335904659768 5021631.0
2675 368.34317293615 92837071.0
2676 369.347017588821 32248471.0
2677 370.350561179242 4967588.0
2678 425.359787963844 1281367.0
2679 429.354633109529 1368500.0
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2682 458.394395914106 33036024.0
2683 459.396960465854 12742119.0
2684 460.400687283673 1861667.0
2685
2686 NAME: C034
2687 IONMODE: Negative
2688 SPECTRUMTYPE: Centroid
2689 RETENTIONTIME: 472.04
2690 RETENTIONINDEX: 3177.54386
2691 NUM PEAKS: 36
2692 79.054276509157 50410573.0
2693 79.9256271001622 36323371.0
2694 81.0699028490817 65792852.0
2695 81.9236143390691 35303738.0
2696 83.0855197742773 18108705.0
2697 93.0699125441727 55534987.0
2698 94.0777641868923 7428152.0
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2702 105.069966409147 82496797.0
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2710 119.085572568403 74987843.0
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2712 128.061976196738 11577519.0
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2716 143.085500237204 39176611.0
2717 145.101085467268 86974867.0
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2719 154.078965344867 10956674.0
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2725 327.30434938533 8322688.0
2726 445.38549209862 886812.0
2727 456.378147711695 1982267.0
2728
2729 NAME: C046
2730 IONMODE: Negative
2731 SPECTRUMTYPE: Centroid
2732 RETENTIONTIME: 473.25
2733 RETENTIONINDEX: 3188.157895
2734 NUM PEAKS: 28
2735 169.091814824045 15401811.0
2736 181.055328401712 7488355.0
2737 181.067404235639 10688882.0
2738 224.0738886392 10720860.0
2739 243.122997622351 82545248.0
2740 250.089657359438 11357700.0
2741 254.084524085365 19125123.0
2742 255.087579796205 6979457.0
2743 270.134154286255 10720655.0
2744 292.1001454618 9510818.0
2745 317.141993943707 6884769.0
2746 323.112474020727 5931066.0
2747 340.139652175563 6005615.0
2748 356.134491294237 22977941.0
2749 382.15043389183 23731272.0
2750 402.194149068429 11077599.0
2751 472.200233326038 12359994.0
2752 473.201914910151 8470607.0
2753 562.252270006814 19690025.0
2754 563.252100037042 8694890.0
2755 609.314457944314 1306961.0
2756 628.305877521448 1867711.0
2757 636.271611633537 2746784.0
2758 637.272297794106 1540253.0
2759 652.303888309006 6730465.0
2760 653.306439891693 3895432.0
2761 654.302726532633 876671.0
2762 666.319802928903 1899563.0
2763
2764 NAME: C036
2765 IONMODE: Negative
2766 SPECTRUMTYPE: Centroid
2767 RETENTIONTIME: 475.39
2768 RETENTIONINDEX: 3206.269841
2769 NUM PEAKS: 35
2770 107.085516154551 9483947.0
2771 121.101152855244 10618347.0
2772 145.085572412304 8259660.0
2773 179.05223246647 6363569.0
2774 197.086498039355 17329105.0
2775 230.078829355435 6684386.0
2776 251.037265753883 34549444.0
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2781 281.226188330672 1420828.0
2782 282.234387687099 1523339.0
2783 326.965485885604 32638471.0
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2785 338.123672322283 2935042.0
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2788 344.247836580119 12333391.0
2789 351.304108530897 3416820.0
2790 352.307926065663 1042419.0
2791 366.32751353275 1426870.0
2792 372.284344328841 936678.0
2793 385.023014471137 16619837.0
2794 387.002440614842 40889160.0
2795 387.071811234133 47441240.0
2796 399.075385167548 11818432.0
2797 399.32843302461 2121975.0
2798 401.053626852815 143645547.0
2799 417.103726002997 29001031.0
2800 461.090278099879 64865175.0
2801 491.122509223354 28003209.0
2802 535.109167132583 30457185.0
2803 623.183374016273 39315704.0
2804 639.37155606433 1716606.0
2805
2806 NAME: C027
2807 IONMODE: Negative
2808 SPECTRUMTYPE: Centroid
2809 RETENTIONTIME: 553.98
2810 RETENTIONINDEX: 3689.428571
2811 NUM PEAKS: 38
2812 77.8176745906921 1105498.0
2813 78.0684636990198 96306.0
2814 82.0732795848055 9728206.0
2815 83.0855186685394 3813751.0
2816 84.0570203051836 24187326.0
2817 96.0889137639502 13565062.0
2818 110.104528290505 4331643.0
2819 125.132499434281 9242936.0
2820 137.132564763949 12643663.0
2821 151.148014765965 272037.0
2822 165.163722354008 6773696.0
2823 221.225726286574 177335.0
2824 239.094687744633 26374355.0
2825 241.091546207015 2365852.0
2826 252.267876882654 725613.0
2827 264.267689650579 609854.0
2828 279.071777922903 14927474.0
2829 280.263490027391 3433705.0
2830 281.26667063529 618451.0
2831 283.245428279181 11477561.0
2832 295.103228182222 8954116.0
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2839 313.273076732248 5643033.0
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2841 314.276738618869 3451603.0
2842 338.287235073685 2209958.0
2843 339.29029588596 4425253.0
2844 352.302761596925 3169411.0
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2846 408.329164396672 436036.0
2847 503.107984232703 8240469.0
2848 576.519464198185 921322.0
2849 577.52028426797 362736.0
2850
2851 NAME: C120
2852 IONMODE: Negative
2853 SPECTRUMTYPE: Centroid
2854 RETENTIONTIME: 685.09
2855 RETENTIONINDEX: 4126.458333
2856 NUM PEAKS: 11
2857 75.0229692071453 2301993.0
2858 93.0698779063908 1663778.0
2859 103.054293606216 15510427.0
2860 105.03356058112 2066627.0
2861 107.049209583129 2707336.0
2862 117.070003671357 12306337.0
2863 131.085664276014 3224819.0
2864 151.057109467382 1307911.0
2865 152.061836547775 1997804.0
2866 165.069686482543 3244386.0
2867 167.085333294048 2425647.0
2868
2869 NAME: C028
2870 IONMODE: Negative
2871 SPECTRUMTYPE: Centroid
2872 RETENTIONTIME: 686.64
2873 RETENTIONINDEX: 4131.071429
2874 NUM PEAKS: 37
2875 77.0385523178361 7668362.0
2876 78.0464678776025 17319313.0
2877 79.0542606689319 2904348.0
2878 88.9510113857997 2439712.0
2879 89.0385704861689 3355834.0
2880 92.057660976223 2879321.0
2881 95.0491811761544 1998774.0
2882 102.04646725429 3400914.0
2883 105.069957582721 5675971.0
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2885 118.077720405861 5394116.0
2886 128.061981218478 4093835.0
2887 137.008549033237 5914490.0
2888 138.987684351396 2553780.0
2889 141.069849381195 2749159.0
2890 153.003209528696 5025385.0
2891 153.069742444283 2210223.0
2892 155.085611606336 1761830.0
2893 161.077981144155 2605379.0
2894 169.034685505322 4162150.0
2895 185.092175287606 1912104.0
2896 192.008016238982 1261671.0
2897 193.016675702985 7164164.0
2898 194.99573281518 18486379.0
2899 196.975032053094 14363577.0
2900 208.101122598463 2611232.0
2901 208.105724404211 4517486.0
2902 209.081187187617 10329646.0
2903 225.042800158645 335927310.0
2904 225.075711292344 4851132.0
2905 227.022154115241 61980398.0
2906 229.001495256691 15378341.0
2907 254.999091183823 2546060.0
2908 283.030754349748 30753432.0
2909 285.027184878933 4699884.0
2910 359.167478739011 3613836.0
2911 429.088685133481 14549168.0
2912
2913 NAME: C045
2914 IONMODE: Negative
2915 SPECTRUMTYPE: Centroid
2916 RETENTIONTIME: 687.16
2917 RETENTIONINDEX: 4132.619048
2918 NUM PEAKS: 28
2919 105.999073433196 1775283.0
2920 160.953991092503 1226737.0
2921 177.984755523284 1479527.0
2922 180.00042964013 1385258.0
2923 180.943758608915 2947399.0
2924 180.961381219577 1317069.0
2925 195.995454001979 3008113.0
2926 196.992752093539 2120075.0
2927 197.974508055988 2732236.0
2928 198.95441899853 1451189.0
2929 212.970014961884 2160212.0
2930 213.006147303489 2386663.0
2931 214.98560992714 3498027.0
2932 220.957069324217 1204344.0
2933 222.936453968368 1331807.0
2934 229.019119616188 6915685.0
2935 230.00074243328 2982993.0
2936 236.98832473252 1185682.0
2937 240.946899738586 2559944.0
2938 253.982966844011 1811236.0
2939 269.977845781938 2553313.0
2940 270.975426915952 1846637.0
2941 270.993770069105 3843846.0
2942 297.079403794841 2265634.0
2943 298.934550867121 1902191.0
2944 328.980928284848 2078425.0
2945 330.960641905517 2496978.0
2946 372.953096157169 1698848.0
2947
2948 NAME: C018
2949 IONMODE: Negative
2950 SPECTRUMTYPE: Centroid
2951 RETENTIONTIME: 687.52
2952 RETENTIONINDEX: 4133.690476
2953 NUM PEAKS: 50
2954 74.7638980336922 1315359.0
2955 92.0621253034594 11206795.0
2956 96.0041781292944 2402236.0
2957 96.9938357952532 2816247.0
2958 142.949133200664 1632731.0
2959 146.07253965804 5600562.0
2960 146.938422598673 3339085.0
2961 147.080066384351 3363357.0
2962 156.093186007163 2830628.0
2963 164.949030139958 6260392.0
2964 178.964482148007 15193545.0
2965 193.979588455388 3340202.0
2966 194.977060323591 1971786.0
2967 203.000954298774 1743787.0
2968 209.011554808631 115823584.0
2969 209.029113642814 19239207.0
2970 210.01053536351 13525043.0
2971 210.02856105016 2845220.0
2972 210.990970491228 26624333.0
2973 211.00836812627 11453500.0
2974 211.990172506941 3030372.0
2975 223.027138632897 5388498.0
2976 226.041539764125 55568400.0
2977 227.039590062704 30315831.0
2978 228.021238834046 8540695.0
2979 236.952057886642 1637840.0
2980 238.967668016334 4121826.0
2981 239.004151623349 3285037.0
2982 254.962852894029 7306850.0
2983 265.020169474237 42733124.0
2984 266.019164029332 8639027.0
2985 269.014505230573 2878028.0
2986 281.051364215883 177490258.0
2987 282.049803555434 38689430.0
2988 284.029739945336 7339074.0
2989 285.009414657485 21693770.0
2990 286.009062250596 5316029.0
2991 287.006757898035 4613451.0
2992 312.950339368404 2870255.0
2993 312.986211377174 2448284.0
2994 313.019993142226 1479514.0
2995 326.982724315442 4863722.0
2996 344.975776862771 10267994.0
2997 345.976092174038 3016933.0
2998 346.046486912175 1754291.0
2999 346.973191534072 1590963.0
3000 382.97408022551 1514772.0
3001 386.969422084375 2096957.0
3002 402.964369782575 1172149.0
3003 493.152823320977 2513229.0
3004
3005 NAME: C012
3006 IONMODE: Negative
3007 SPECTRUMTYPE: Centroid
3008 RETENTIONTIME: 687.83
3009 RETENTIONINDEX: 4134.613095
3010 NUM PEAKS: 57
3011 78.0419846383593 1742200.0
3012 79.0497716096318 1893817.0
3013 85.0284186196566 2191757.0
3014 121.046741626167 6162741.0
3015 142.078087888737 3381352.0
3016 192.997735629267 9539743.0
3017 195.029110650825 3772846.0
3018 205.016711322548 5926636.0
3019 207.066696618797 3714385.0
3020 209.098935410027 6173585.0
3021 213.05754958053 13341991.0
3022 219.06802937228 2601724.0
3023 253.016653119059 43935840.0
3024 269.047850642358 4644691.0
3025 271.027137265637 6759639.0
3026 281.085992168442 2140320.0
3027 284.047997947258 8403825.0
3028 311.073606748707 3371803.0
3029 313.113777264345 2391990.0
3030 325.985953604199 8513850.0
3031 327.03525664153 49155384.0
3032 328.035343658 13109000.0
3033 329.014530869431 3595462.0
3034 331.063707530223 2063612.0
3035 343.084122931946 3769846.0
3036 345.046169172075 8812838.0
3037 353.090427317747 2832675.0
3038 359.09769204202 9873384.0
3039 360.028136457829 10686927.0
3040 360.169639740951 3818378.0
3041 371.040514349465 1472266.0
3042 387.002413998209 12940469.0
3043 387.071825807939 15096984.0
3044 389.068871345424 1810336.0
3045 402.055174276849 12479459.0
3046 404.05195192305 1405422.0
3047 458.971973456131 1214840.0
3048 459.041861218696 1286084.0
3049 460.952039584771 4371596.0
3050 461.021207128847 2869881.0
3051 461.090256355859 17842323.0
3052 461.951796665319 1222018.0
3053 462.091555156095 6970195.0
3054 463.088708091285 2556050.0
3055 475.072310244956 13564752.0
3056 476.003821454759 1471505.0
3057 476.143434019655 13026182.0
3058 477.140480798609 4944561.0
3059 478.141485242814 1506934.0
3060 479.101672410454 3603024.0
3061 490.12632015072 18188437.0
3062 491.122346777972 10290558.0
3063 549.162553092955 24746614.0
3064 563.144239233773 12735845.0
3065 624.183209223215 7134906.0
3066 637.164550513183 3866368.0
3067 698.205944560218 1919968.0
3068
3069 NAME: C020
3070 IONMODE: Negative
3071 SPECTRUMTYPE: Centroid
3072 RETENTIONTIME: 687.99
3073 RETENTIONINDEX: 4135.089286
3074 NUM PEAKS: 43
3075 109.052235628516 1922885.0
3076 111.044058476785 1730416.0
3077 133.064909307365 1579533.0
3078 137.041722086745 2474039.0
3079 194.053642118165 5252308.0
3080 212.061782732582 10437319.0
3081 267.034768010352 4429084.0
3082 267.068824022318 27744081.0
3083 268.069192256745 2367920.0
3084 310.970568727813 3126083.0
3085 311.004219192148 2666091.0
3086 325.055731606087 7634729.0
3087 327.965549188207 5442532.0
3088 328.962716535303 2722019.0
3089 339.03821058645 6627839.0
3090 341.051986399316 1671451.0
3091 342.996634492902 3939816.0
3092 345.115297423962 3938049.0
3093 358.067243216398 3526875.0
3094 361.025211906011 6516476.0
3095 388.003000430725 3422825.0
3096 388.073272089579 4224454.0
3097 399.005054559559 4141766.0
3098 401.984326631505 5585170.0
3099 402.98179623463 3562508.0
3100 416.036473280551 7221552.0
3101 417.033665098569 4129234.0
3102 417.087073648909 1945166.0
3103 418.994970709551 2648178.0
3104 430.088321970134 10765018.0
3105 431.085366629672 6887942.0
3106 473.09370665615 2502410.0
3107 475.002854889036 2969642.0
3108 475.14184210128 30625723.0
3109 477.070907310139 2271450.0
3110 489.055479984185 1973511.0
3111 503.107930410573 2407435.0
3112 549.092119293556 2513579.0
3113 552.160354111203 1673065.0
3114 565.143723544965 3485979.0
3115 610.132183060405 1997085.0
3116 625.181479977537 3872339.0
3117 697.202597429349 2820429.0