Mercurial > repos > recetox > ramclustr_define_experiment
changeset 10:ef3cbcdf5f5d draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c562be4e9eb71470b480752aafe16722aee72bb1
| author | recetox |
|---|---|
| date | Thu, 19 Jun 2025 07:59:13 +0000 |
| parents | f2c1d0bbb074 |
| children | |
| files | macros.xml test-data/test2_fill_xcms_2.msp test-data/test2_spec_abundance_xcms_2.tsv |
| diffstat | 3 files changed, 10315 insertions(+), 10102 deletions(-) [+] |
line wrap: on
line diff
--- a/macros.xml Thu May 30 14:52:18 2024 +0000 +++ b/macros.xml Thu Jun 19 07:59:13 2025 +0000 @@ -1,5 +1,5 @@ <macros> - <token name="@TOOL_VERSION@">1.3.0</token> + <token name="@TOOL_VERSION@">1.3.1</token> <xml name="creator"> <creator> @@ -59,10 +59,8 @@ </xml> <xml name="parameters_xcms"> - <section name="xcms" title="Input MS Data as XCMS" expanded="true"> - <param name="input_xcms" label="Input XCMS" type="data" format="rdata.xcms.fillpeaks" - help="Grouped feature data for clustering." /> - </section> + <param name="input_xcms" label="Input XCMS" type="data" format="rdata.xcms.fillpeaks,rdata.xcms.group" + help="Grouped feature data for clustering." /> </xml> <xml name="parameters_recetox_aplcms">
--- a/test-data/test2_fill_xcms_2.msp Thu May 30 14:52:18 2024 +0000 +++ b/test-data/test2_fill_xcms_2.msp Thu Jun 19 07:59:13 2025 +0000 @@ -1,11378 +1,11593 @@ NAME:C001 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:36.79 -Num Peaks:96 -216.9231 23812075 -264.853 15633213 -90.9768 9937629 -332.8403 6700746 -334.8374 6244676 -390.799 5989314 -458.7867 5380038 -578.698 4329004 -520.7398 4155104 -752.572 3475955 -586.7298 3473848 -462.7808 3325264 -742.5445 3292214 -518.7427 3078744 -149.9931 3023780 -694.6141 2816970 -574.7039 2812261 -684.5851 2804751 -628.6241 2771595 -792.4708 2747070 -744.5417 2723035 -790.4735 2559104 -750.5749 2551725 -754.5691 2517690 -692.6169 2308865 -682.5881 2302495 -516.7004 2288712 -740.5475 2194363 -584.7325 2155658 -686.5823 2152071 -704.6429 2046793 -812.5286 2031345 -410.8565 2028964 -632.662 1690731 -580.695 1665145 -696.6111 1635271 -672.5604 1613164 -584.6431 1578515 -572.6171 1481717 -868.4898 1415037 -746.5386 1380123 -818.5633 1328616 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-244.9036 459309 +RETENTIONTIME:506.49 +Num Peaks:13 +502.3748 5187788 +507.3301 3317845 +547.4048 1190880 +433.2568 656631 +486.3515 350249 +516.3542 305098 +591.3184 274954 +384.2749 149107 +389.2303 146683 +270.1374 146583 +521.3096 112719 +548.4078 109914 +434.26 55334 NAME:C068 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:39.11 -Num Peaks:12 -389.1365 17914530 -314.7798 14925495 -383.1163 14155310 -132.9874 6185472 -200.8596 5418032 -494.8221 3404809 -124.0947 3112145 -351.939 3033731 -291.9835 1819412 -431.8832 1231761 -585.7708 601045 -786.6078 559844 +RETENTIONTIME:495.55 +Num Peaks:13 +508.377 74075525 +511.3598 53280164 +509.3805 21437114 +281.6517 11270015 +512.3627 8106231 +530.3593 1610188 +274.053 1215996 +584.4457 1138587 +513.3654 553991 +321.2428 423659 +586.4531 186203 +359.2948 156552 +273.6657 93142 NAME:C069 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:595.51 -Num Peaks:12 -358.3683 2228258 -241.1402 1914790 -253.253 740349 -372.2598 699113 -327.2897 551365 -372.7616 269739 -593.4126 233525 -345.3003 210063 -481.2498 169298 -614.4861 81381 -593.914 69159 -440.2464 60980 +RETENTIONTIME:403.8 +Num Peaks:13 +633.2556 1940435 +385.1677 1648563 +349.1988 1561115 +354.2335 1301672 +332.2516 1266785 +634.259 717250 +314.2411 580855 +279.0938 580411 +309.2066 395568 +278.22 275696 +283.1731 255168 +365.1705 106478 +635.2618 106200 NAME:C070 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:562.56 -Num Peaks:12 -256.2639 25813175 -257.2672 3943664 -284.2863 3833370 -563.5515 763852 -616.4385 714839 -248.2458 483012 -382.2042 481505 -564.5546 271307 -258.2707 226539 -617.4417 221863 -198.1856 217561 -144.141 171342 +RETENTIONTIME:381.82 +Num Peaks:13 +430.2956 5557844 +448.3063 4257865 +412.285 3824393 +777.6933 2915162 +467.3203 2513596 +500.305 1790133 +520.2365 514503 +501.3083 507132 +468.3233 330924 +519.2288 242392 +337.253 207314 +260.622 178174 +235.2173 75830 NAME:C071 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:425.4 -Num Peaks:12 -287.1475 18841908 -337.2377 5714822 -359.2203 3261258 -115.0544 1601971 -338.2411 1180284 -593.2627 836500 -309.1295 660014 -571.28 421557 -401.2302 323797 -349.1526 297786 -594.2663 275308 -572.2838 130728 +RETENTIONTIME:347.29 +Num Peaks:13 +205.1227 2389419 +219.102 1399036 +240.1598 1384423 +115.0544 1353124 +277.0526 1170148 +347.222 517866 +160.1205 410791 +793.7418 380202 +793.4075 332998 +245.1152 302338 +206.1261 278890 +794.076 263600 +348.2254 52680 NAME:C072 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:430.63 +RETENTIONTIME:44.74 Num Peaks:12 -475.365 6098830 -476.3685 1777964 -378.2665 1190073 -332.0059 862983 -205.1955 720499 -422.3212 654380 -449.3492 305208 -673.5251 153204 -333.1676 116067 -216.6125 96996 -378.1114 45040 -511.3236 41163 +337.0621 49675447 +331.1318 25921078 +405.9477 6228279 +245.1364 2318519 +447.9323 2117952 +197.1013 1209576 +576.0572 1093004 +448.9509 871514 +577.0651 310570 +339.0663 278994 +565.8465 200085 +479.8806 149806 NAME:C073 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:503.72 +RETENTIONTIME:41.16 Num Peaks:12 -429.3191 13264596 -385.2929 4608981 -590.4269 3391061 -327.2262 2657090 -591.4304 1019851 -595.3825 874074 -573.4001 574713 -596.386 208762 -560.3798 140867 -592.4334 102942 -163.1121 100585 -288.2408 58149 +86.0966 39468839 +146.0603 9992672 +165.0549 5095967 +174.1856 5001217 +462.6453 4130626 +206.1009 3891499 +830.3638 754385 +399.9003 698103 +656.4886 578498 +302.1966 575035 +247.1737 501735 +149.06 380571 NAME:C074 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:518.96 +RETENTIONTIME:35.76 Num Peaks:12 -310.1624 170655153 -310.6641 53773566 -1075.1965 16288822 -813.0125 12679983 -330.6756 7915166 -301.1571 7910452 -624.2956 7555430 -309.6651 3679340 -627.4707 3252028 -1070.7201 1949291 -288.6515 1114445 -812.0149 476519 +358.8431 1384452 +432.9767 1102025 +478.7548 987432 +486.7866 974257 +604.701 427701 +300.8843 380212 +636.8392 313264 +462.9637 206794 +348.0799 188222 +241.1067 149136 +457.9614 139667 +344.7769 89775 NAME:C075 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:487.97 +RETENTIONTIME:37.21 Num Peaks:12 -806.5692 30129083 -483.3646 26217850 -395.2771 7534600 -365.1362 3299799 -288.1493 2990145 -528.3106 1757076 -543.3162 1458675 -529.8203 1030971 -789.9893 253039 -485.3701 242290 -437.207 203209 -353.0813 86398 +380.77 9072723 +460.7838 5119719 +326.8056 4342361 +528.7265 2454764 +810.5316 2043816 +512.708 1046966 +614.7538 950681 +572.7971 706295 +390.1398 566575 +710.5881 490454 +868.6713 261020 +836.533 250963 NAME:C076 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:381.92 +RETENTIONTIME:39.71 Num Peaks:12 -430.2956 5626496 -448.3063 4250716 -412.285 3793773 -467.3203 2459295 -500.305 1742150 -520.2365 474371 -501.3083 459799 -468.3233 294602 -519.2288 209093 -337.253 178982 -260.622 155498 -235.2173 64352 +308.8791 10957067 +486.659 5490532 +326.9874 4101123 +366.8376 3767650 +660.5986 2425492 +349.942 2137626 +409.8977 2082483 +488.656 1973375 +834.5002 1660309 +172.087 1212162 +407.9006 1094186 +236.0219 539602 NAME:C077 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:380.78 +RETENTIONTIME:571.31 Num Peaks:12 -389.163 2721246 -151.0756 2125724 -626.3534 1619812 -391.1601 660055 -390.1664 623859 -627.3568 556693 -568.3485 166047 -152.079 82353 -266.1473 71536 -680.2716 65416 -189.1238 49908 -616.369 34029 +536.3914 7833373 +537.3943 1977958 +609.9019 1203684 +701.5285 983636 +702.0299 738207 +379.2822 632125 +537.8951 512136 +550.4021 426903 +535.3937 377323 +714.5367 221026 +715.0381 215246 +990.1917 193952 NAME:C078 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:407.77 +RETENTIONTIME:569.08 Num Peaks:12 -432.3113 46034005 -450.322 16527958 -416.3075 2485270 -321.2581 314310 -467.3487 165386 -544.2607 148847 -504.0007 112766 -253.6437 79832 -105.7893 75240 -549.4274 66861 -474.3103 60658 -504.7433 30647 +787.6038 30308710 +688.5203 12645558 +689.0219 10667983 +477.2516 10125555 +689.5232 5626343 +751.0397 3232010 +715.48 3187594 +737.0247 2893928 +737.5266 2748878 +221.2268 2328927 +710.4781 2035331 +711.4808 981566 NAME:C079 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:407.86 +RETENTIONTIME:456.97 Num Peaks:12 -737.6758 4550551 -313.2378 4522440 -223.0969 2326897 -434.3181 1664667 -473.3075 929145 -249.2065 864168 -488.278 166444 -502.2464 143343 -384.2903 85201 -485.2232 81438 -507.2455 80816 -545.2453 26140 +523.3492 22505989 +1067.1335 14345322 +1066.6321 12675820 +1067.6349 9535725 +807.4668 7970208 +818.9655 5854300 +807.9677 4673733 +1091.1342 4655204 +1068.136 4419568 +539.3145 3951649 +539.816 1914319 +523.5297 777878 NAME:C080 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:34.07 -Num Peaks:11 -110.0089 2308034 -151.0355 1834606 -128.0195 986600 -288.9225 430015 -230.8904 375279 -139.5313 233185 -125.0381 211488 -111.0097 205647 -348.0799 160713 -457.9614 113584 -102.9704 90175 +RETENTIONTIME:454.88 +Num Peaks:12 +502.3117 168932709 +546.3023 45280775 +1087.6728 17797083 +1088.6761 11154490 +997.6254 8306223 +1013.6569 8127935 +1021.626 7124806 +998.6286 4400965 +1022.6294 3813911 +526.2773 1936422 +999.6316 902705 +1023.6326 859346 NAME:C081 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:41.27 -Num Peaks:11 -120.0746 41624002 -205.0975 29632106 -175.0481 23014445 -257.1728 1528271 -850.6098 1382408 -503.8382 584210 -426.9314 387737 -906.5438 385647 -561.7965 309858 -414.1486 287632 -248.1486 244247 +RETENTIONTIME:426.66 +Num Peaks:12 +301.2166 14165808 +319.227 6775029 +325.2165 4240472 +320.2304 1395609 +219.1383 1244254 +223.1696 1238179 +370.2591 835334 +373.1463 728603 +416.3246 233281 +322.246 129468 +348.257 113249 +924.2605 61513 NAME:C082 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:38.52 -Num Peaks:11 -320.9494 4298886 -164.0685 3689100 -616.5982 3379621 -318.908 2889470 -220.0303 2670229 -306.9653 2484958 -796.4416 2106577 -271.0437 1762861 -244.0796 1710700 -511.7998 398453 -393.885 329112 +RETENTIONTIME:424.93 +Num Peaks:12 +368.2798 11168549 +210.121 2223435 +252.1316 1491489 +328.2308 1061669 +392.28 928704 +269.1389 633400 +553.2786 603038 +583.2558 455251 +458.3482 195138 +370.2864 181146 +554.2809 86494 +247.1019 78197 NAME:C083 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:37.09 -Num Peaks:11 -442.723 11905041 -226.9519 11023433 -134.0191 2655037 -404.8218 2108834 -702.6011 1948521 -336.8345 1728608 -618.7769 1688920 -808.5344 1665704 -335.9171 1276830 -214.1417 1027823 -690.5749 804884 +RETENTIONTIME:513.57 +Num Peaks:12 +484.3311 2108149 +534.2289 854453 +269.9829 717938 +342.3086 384375 +504.3072 363888 +309.6523 313434 +536.2447 265096 +213.9566 237694 +268.6259 227735 +600.4032 206959 +509.2846 175182 +535.2321 119768 NAME:C084 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:552.98 -Num Peaks:11 -358.1753 19061625 -172.9567 16261218 -350.178 6044559 -351.1814 1029031 -309.1515 976943 -352.1784 632822 -348.1828 303061 -354.174 182358 -327.1622 176442 -415.3211 121763 -368.1886 115030 +RETENTIONTIME:519.47 +Num Peaks:12 +1069.717 3591479 +1192.2988 3465168 +1206.3127 3288582 +1192.8015 3246859 +1191.7965 3013525 +1193.3042 2392393 +1216.3008 1831985 +1074.1953 1701626 +1215.7986 1333785 +311.6657 704288 +1207.3173 629863 +1051.7485 372124 NAME:C085 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:568.93 -Num Peaks:11 -358.2442 95143929 -234.1323 53189021 -358.7459 40966961 -234.634 12390363 -477.2516 10118466 -426.2306 4270374 -233.1347 2844297 -254.6457 1642298 -379.2592 1060594 -687.5227 749478 -97.1014 701183 +RETENTIONTIME:384.11 +Num Peaks:12 +432.3113 5299484 +315.1343 3658074 +415.3041 2407479 +118.0545 1859139 +309.0906 731983 +398.3422 290296 +247.156 272109 +545.2686 268037 +335.2432 162482 +246.1526 146806 +234.094 120026 +89.0387 67454 NAME:C086 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:543.57 +RETENTIONTIME:36.81 Num Peaks:11 -508.377 18087444 -383.1672 7948850 -384.1706 1728132 -329.2478 1715380 -269.1 1539349 -413.3055 1095453 -381.1719 391402 -330.2513 356087 -414.3088 324523 -227.6261 105618 -506.2241 86070 +392.7961 15226965 +226.9519 11177606 +506.7171 4606226 +404.8218 2065871 +702.6011 1897569 +336.8345 1669431 +808.5344 1610882 +690.5749 765647 +512.8896 647976 +620.7573 516829 +692.5272 290826 NAME:C087 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:555.63 +Num Peaks:11 +270.2302 14184196 +286.2295 2844160 +271.2335 1316778 +213.1641 885701 +201.1641 727832 +199.1485 708007 +157.1015 329026 +677.4801 258909 +171.1171 250127 +227.1798 169688 +107.0857 125433 + +NAME:C088 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:553.13 +Num Peaks:11 +804.5511 20513361 +358.1753 19781097 +172.9567 17126534 +350.178 6106880 +351.1814 994183 +309.1515 943112 +352.1784 605716 +348.1828 281346 +354.174 164917 +327.1622 155956 +368.1886 98746 + +NAME:C089 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:465.87 +Num Peaks:11 +504.3094 15708076 +149.0236 13763580 +505.3127 4084509 +1030.6331 3491497 +1043.1354 1763837 +1042.6341 1344281 +395.2205 998437 +1032.1374 907753 +1174.2519 696036 +352.1938 686229 +1173.7499 436555 + +NAME:C090 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:446.64 +Num Peaks:11 +357.2791 34415925 +376.2931 1422746 +105.0701 1237272 +234.1623 475260 +198.1856 417047 +276.1276 68347 +235.571 67415 +497.7324 66835 +277.2893 64013 +339.1231 59319 +297.1853 49592 + +NAME:C091 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:429.42 Num Peaks:11 -357.2039 2391117 -187.1121 1548047 -256.264 1386707 -307.2483 793807 -510.3199 698470 -254.9947 510715 -548.2236 478679 -358.2075 195877 -374.0634 170278 -530.2123 59267 -188.1154 43851 - -NAME:C088 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:422.73 -Num Peaks:11 -210.121 2232439 -358.2824 1645947 -252.1316 1517488 -412.3062 1207575 -172.1699 734622 -375.2897 695606 -269.1389 640714 -660.3746 279577 -173.0488 251894 -310.1806 119440 -259.1908 46436 - -NAME:C089 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:467.28 -Num Peaks:11 -149.0236 13475016 -415.2111 6946215 -393.2202 3717128 -200.2013 2083609 -1056.1427 1568794 -395.2205 1048869 -237.1489 277318 -1070.1521 232182 -433.3228 230555 -973.6238 145302 -452.0164 37450 - -NAME:C090 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:449.8 -Num Peaks:11 -115.0545 1136091 -359.2212 629569 -355.2635 507060 -434.3268 445523 -165.1277 306697 -409.3428 237102 -357.2656 236595 -365.2901 234533 -620.2639 187616 -413.3055 90065 -435.3307 66874 - -NAME:C091 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:447.15 -Num Peaks:11 -555.2931 1495377 -539.2112 1166012 -454.3297 1038745 -573.3041 785573 -440.3376 705371 -556.2966 378256 -540.2148 270158 -227.1828 213370 -616.3326 125068 -229.1955 66120 -425.2518 47459 +328.0118 3152429 +357.2039 2437788 +352.9845 1579168 +187.1121 1574342 +256.264 1399011 +510.3199 746102 +548.2236 523462 +426.9333 414371 +358.2075 223393 +430.9275 55593 +461.9255 49377 NAME:C092 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:442.58 +RETENTIONTIME:428.21 Num Peaks:11 -295.1908 1568484 -510.3393 597971 -561.2861 443288 -249.1102 427534 -560.2827 335037 -199.9757 284225 -318.3006 247940 -535.3215 181694 -562.2891 90210 -314.2234 89808 -584.283 47867 +344.2799 16216216 +345.2832 3161277 +453.7857 2335582 +238.1208 703719 +516.3094 653161 +368.1392 492517 +251.133 285934 +249.0811 161851 +261.1175 139154 +517.313 128531 +390.1213 76640 NAME:C093 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:506.85 +RETENTIONTIME:507.36 Num Peaks:11 -507.3301 3388515 -485.348 1425560 -433.2568 697984 -486.3515 373249 -591.3184 300384 -226.1594 291437 -411.3222 169503 -389.2303 165754 -384.2749 165519 -270.1374 163320 -434.26 66372 +806.5693 40204691 +534.393 3566739 +494.3613 3409888 +535.3964 1106842 +476.3741 890896 +305.269 711766 +268.264 658819 +581.1835 478967 +574.3871 390145 +643.1047 135066 +415.1145 68205 NAME:C094 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:513.49 +RETENTIONTIME:490.73 Num Peaks:11 -484.3311 2112933 -534.2289 825941 -269.9829 693646 -342.3086 357036 -504.3072 342950 -309.6523 294882 -536.2447 237579 -213.9566 220539 -268.6259 217440 -509.2846 148217 -535.2321 102831 +303.1546 87442173 +304.2355 20439111 +267.2112 3695247 +439.7539 702595 +175.1484 659864 +268.2145 565451 +257.1904 529304 +141.0701 525021 +231.1747 399904 +571.3571 161048 +153.0913 117011 NAME:C095 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:467.61 +RETENTIONTIME:417.52 Num Peaks:11 -301.143 73154435 -414.7093 20528312 -568.3383 16028912 -796.4745 11344700 -439.7172 3393301 -432.3192 3070197 -406.7232 1399255 -440.2189 1257584 -1003.6718 919924 -796.9753 783802 -284.2952 318777 +378.2408 5581102 +295.2272 3146070 +353.2301 2905350 +463.2333 1236626 +385.1677 639018 +354.2336 496397 +332.2516 393010 +314.2412 204341 +526.2658 119128 +407.3008 102451 +222.0952 95391 NAME:C096 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:364.18 +RETENTIONTIME:386.11 Num Peaks:11 -186.9566 3051309 -211.0969 2845510 -151.0756 1156414 -193.0863 1032611 -197.0812 402756 -415.1691 298241 -212.1002 196108 -287.0586 147334 -210.089 133183 -324.0532 61030 -335.1855 57557 +119.0579 3720603 +205.1227 725116 +423.17 661911 +213.1465 510413 +277.0364 436580 +245.1152 338706 +373.2201 234325 +341.2478 155624 +484.2913 140530 +225.1101 91357 +562.2099 88423 NAME:C097 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:395.6 +RETENTIONTIME:378.13 Num Peaks:11 -536.3359 8469895 -448.3064 4174329 -537.3394 2603124 -665.2457 1484665 -449.3097 1114695 -184.17 631271 -666.2491 537123 -446.1862 513372 -599.251 200800 -321.1019 67070 -447.1896 41703 +464.2835 3502366 +482.2942 1710487 +465.2869 1297256 +554.2235 574906 +483.2975 320055 +522.287 210429 +402.2853 157782 +370.1741 105707 +555.2267 82531 +517.3314 80781 +495.2229 56485 NAME:C098 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:37.4 +RETENTIONTIME:37.59 Num Peaks:10 -114.8935 23024093 -296.0665 8015388 -282.824 2358772 -452.7966 2247671 -104.0874 1651836 -228.8134 1471210 -364.7882 770681 -281.0958 770156 -592.5855 631730 -528.8161 481604 +346.8632 39768173 +183.0786 9626902 +262.9464 2061654 +242.9052 1978776 +540.79 1697559 +122.949 1169816 +522.7872 351422 +273.9625 345515 +155.0794 196631 +86.9088 168564 NAME:C099 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:44.53 -Num Peaks:10 -337.0621 52885613 -331.1318 27861441 -389.9736 8690518 -405.9477 6292353 -245.1364 2298568 -447.9323 2071538 -197.1013 1177848 -576.0572 1025410 -448.9509 814019 -565.8465 171221 - -NAME:C100 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:49.91 Num Peaks:10 -294.1016 171748230 -294.9934 25252596 -348.021 4046388 -660.0823 2143420 -381.9865 1449716 -293.0848 1438690 -661.0889 956916 -403.9682 155328 -550.1004 100361 -630.1555 88234 +294.1016 202195958 +294.9934 23897907 +348.021 4147482 +660.0823 2199143 +381.9865 1529966 +293.0848 1513247 +661.0889 1022539 +403.9682 168620 +550.1004 123495 +630.1555 108557 + +NAME:C100 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:40.61 +Num Peaks:10 +218.1391 10411192 +492.6502 9568897 +550.6094 7957357 +604.5734 6968732 +496.8407 6083311 +544.618 3255475 +309.0171 846411 +441.8852 655843 +282.1201 396074 +617.7574 335132 NAME:C101 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:37.36 +RETENTIONTIME:37.33 Num Peaks:10 -380.77 9153118 -460.7838 5015035 -326.8056 4292186 -528.7265 2490680 -810.5316 2024831 -512.708 1058201 -614.7538 994858 -572.7971 737076 -390.1398 609847 -868.6713 273988 +440.7259 15335010 +141.0656 13055205 +231.0551 5513716 +98.0578 1114539 +866.6142 353427 +570.6198 322285 +333.9107 310591 +968.3432 309445 +287.9966 182856 +323.89 54740 NAME:C102 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:40.92 +RETENTIONTIME:36.47 Num Peaks:10 -290.1391 21416369 -546.6152 10006900 -312.119 6230908 -385.9234 1949749 -122.0578 1678907 -602.5762 1361568 -290.1602 1034655 -373.0251 865180 -559.7992 509540 -319.1656 323123 +916.4202 664705 +872.4838 647041 +758.6067 585193 +1044.3639 449579 +806.627 425143 +756.5199 351862 +1046.3612 264886 +870.6681 248295 +748.7305 206311 +922.411 181059 NAME:C103 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:38.73 +RETENTIONTIME:38.77 Num Peaks:10 -198.8625 17769061 -148.9694 9598494 -269.1266 3391682 -434.8253 3034408 -552.7408 2472093 -674.5561 2295543 -610.7348 1890195 -676.5755 1838534 -388.1331 602709 -784.5724 359917 +198.8625 18424739 +148.9694 9682154 +269.1266 3335772 +124.0947 3065034 +434.8253 3005560 +552.7408 2462915 +674.5561 2261938 +610.7348 1848863 +676.5755 1780566 +388.1331 572570 NAME:C104 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:38.39 +RETENTIONTIME:568.93 Num Peaks:10 -219.0833 6591438 -260.8153 5306001 -94.0653 5120186 -137.0518 4594755 -436.8593 3880017 -162.0505 3180547 -376.8665 1994245 -492.8466 1862149 -612.7313 1594399 -668.7064 959198 +788.606 19002881 +189.0042 2138517 +109.1014 2085483 +186.0055 2080355 +236.1303 1454739 +190.0012 1277300 +123.117 1197160 +315.2808 546335 +748.026 364739 +139.1484 136077 NAME:C105 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:599.77 +RETENTIONTIME:472.68 Num Peaks:10 -794.6055 8459569 -756.5525 4177850 -795.6086 3257616 -496.3405 2556048 -284.2811 776396 -613.4825 315828 -89.5044 199396 -285.2986 141680 -401.3417 48305 -508.3772 30259 +498.3465 382775276 +1019.1343 52836408 +275.6334 20162981 +771.9671 18794856 +1020.1362 16011389 +1266.8035 8525596 +534.297 8022878 +493.3967 2992460 +207.2006 2738837 +86.0965 2135429 NAME:C106 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:569.26 +RETENTIONTIME:454.08 Num Peaks:10 -749.0237 11093312 -357.2465 5510395 -597.9026 4951725 -240.2407 3734212 -431.2096 3264839 -763.0378 3111485 -763.5409 2084715 -752.0431 1380856 -764.0449 1340191 -976.174 450664 +482.3247 97166996 +571.8013 1529589 +299.135 928820 +338.2774 812068 +1003.6629 785124 +1047.6288 616959 +1103.6353 540536 +537.2869 358017 +353.269 285799 +959.6086 202546 NAME:C107 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:569.25 +RETENTIONTIME:456.39 Num Peaks:10 -544.3904 3485236 -544.8923 2117072 -596.3887 1714033 -595.8871 1481100 -213.6191 1167267 -690.5244 693745 -557.3974 605883 -739.0352 567680 -709.5276 324189 -755.5423 217862 +1039.6734 179408787 +1041.6798 35907962 +299.6334 21925744 +1065.6785 16818416 +279.6473 14607698 +1078.6321 10758352 +1042.6828 8154125 +288.6333 7176846 +300.1352 6625969 +1066.681 3656415 NAME:C108 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:542.51 +RETENTIONTIME:452.9 Num Peaks:10 -487.3614 911342 -531.3879 691924 -306.2795 520097 -483.4093 379233 -545.3123 310149 -650.4395 301658 -465.3794 169948 -509.4056 158633 -679.4184 143687 -674.462 132148 +1046.6304 1386753 +489.1705 1377213 +481.3018 766668 +550.7788 736955 +517.229 513668 +495.1602 472298 +461.2862 412542 +971.6086 363448 +258.624 298730 +529.2535 237740 NAME:C109 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:422.13 +RETENTIONTIME:434.95 Num Peaks:10 -299.2009 3633325 -331.2377 2001381 -254.2483 1305074 -534.3202 937212 -564.3665 398321 -477.2215 222558 -286.2132 199212 -396.2749 72754 -565.3699 69837 -616.4628 48832 +603.2938 8902432 +621.3034 4762332 +622.3067 1495054 +388.1968 999885 +675.2219 696479 +627.2928 272590 +644.2889 211537 +403.1352 206435 +599.3101 80292 +711.1991 50211 NAME:C110 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:427.31 +RETENTIONTIME:446.04 Num Peaks:10 -357.2837 1273008 -238.1208 720123 -516.3094 687580 -368.1392 517489 -490.8181 464267 -249.0811 179576 -517.313 146796 -498.32 126071 -390.1213 92376 -366.1281 76711 +605.3094 1265027 +351.1992 946706 +606.3128 364038 +324.5881 306002 +455.3849 174544 +624.3226 174238 +593.3044 85361 +633.139 81635 +677.9075 75073 +652.1839 70810 NAME:C111 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:471.58 +RETENTIONTIME:422.58 Num Peaks:10 -518.3227 235242301 -519.326 64379909 -1041.6891 25436383 -1042.6926 15077727 -1014.6584 11854280 -330.0402 6207551 -500.3523 4576520 -399.3301 1219018 -496.4685 798767 -1023.6419 327168 +299.2009 3675995 +254.2483 1354363 +564.3665 437435 +135.0443 408094 +477.2215 228305 +286.2132 220500 +396.2749 94810 +565.3699 87597 +616.4628 62316 +229.1803 58236 NAME:C112 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:457.3 +RETENTIONTIME:503.93 Num Peaks:10 -1067.1335 14202082 -1066.6321 12649421 -1067.6349 9502796 -806.9653 9073317 -1061.6563 6932121 -807.9677 4679039 -1068.136 4427697 -1062.6595 4204406 -539.816 1916254 -519.342 1370971 +807.5724 7768597 +363.3109 2417690 +195.1231 1806049 +151.0968 431456 +349.2952 307796 +410.348 226216 +461.2567 186979 +393.3214 102833 +372.29 55883 +507.4458 52712 NAME:C113 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:457.75 +RETENTIONTIME:376.14 Num Peaks:10 -282.2795 24493153 -295.227 7486491 -277.2166 6264379 -558.2958 3074926 -354.2642 2284033 -296.2304 1177243 -278.2199 1084305 -299.2584 815861 -250.1298 379520 -806.4665 280807 +201.0469 14429174 +345.1367 12660626 +507.162 4852427 +203.044 4518455 +346.1401 2475936 +165.0702 2315811 +166.078 2181829 +202.0503 1926919 +176.9722 1289442 +204.0474 571775 NAME:C114 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:437.65 +RETENTIONTIME:365.04 Num Peaks:10 -468.309 149278141 -469.3125 35810888 -477.2814 2009158 -471.3172 536292 -461.2736 255688 -235.5712 183933 -477.2689 161276 -905.4978 126590 -530.3125 112800 -883.5157 78910 +151.0756 1106894 +193.0863 983168 +233.0925 643575 +302.1391 451282 +370.1224 435665 +186.032 298116 +215.0819 202951 +212.1002 173905 +389.1234 142819 +210.089 114532 NAME:C115 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:437.88 -Num Peaks:10 -416.2154 14336602 -851.3968 4388056 -852.4001 2279840 -417.2184 1952086 -853.4029 592018 -255.5828 441840 -515.1372 346834 -904.4946 306009 -882.5125 215725 -244.0748 80958 +RETENTIONTIME:42.89 +Num Peaks:9 +181.0723 10459305 +164.9304 8388683 +417.0028 7099005 +286.2017 4789115 +360.0474 3048941 +418.9999 2191887 +273.1678 2080339 +594.8552 276307 +439.9883 267705 NAME:C116 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:446.59 -Num Peaks:10 -496.3312 14278852 -517.3104 3795591 -521.3339 2719229 -375.2897 1212750 -275.6447 811722 -274.1273 777025 -234.1623 476057 -267.1413 452934 -276.1276 71747 -339.1231 58942 - -NAME:C117 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:505.63 -Num Peaks:10 -546.4014 1954571 -402.3492 1906539 -732.5484 1748517 -551.3568 1456173 -547.4048 1239879 -529.3746 849372 -472.3276 427237 -516.3542 328894 -521.3096 129568 -548.4078 125781 - -NAME:C118 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:518.99 -Num Peaks:10 -1049.7427 13239882 -1074.6949 12519686 -1075.6978 9622226 -320.1678 5981116 -330.0403 4668303 -553.3303 1511782 -281.6631 1432563 -298.6545 1351491 -812.5141 684378 -318.6692 679524 - -NAME:C119 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:479.27 -Num Peaks:10 -289.143 32768163 -287.6437 7883354 -530.3248 4811900 -235.1696 4289264 -540.3675 3813223 -290.6393 3267109 -531.3282 1184714 -491.1867 547385 -1068.7068 477544 -298.238 272307 - -NAME:C120 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:481.66 -Num Peaks:10 -438.2984 20760007 -327.2322 15666638 -425.3459 11958452 -504.3453 7856113 -296.2446 2075359 -317.209 756237 -449.346 700151 -255.2323 366523 -441.3174 362948 -488.359 161157 - -NAME:C121 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:330.47 -Num Peaks:10 -237.1174 2812302 -528.2809 1896791 -528.7823 874204 -723.0285 297763 -529.2838 289523 -718.8667 249663 -719.3681 180321 -510.2931 142868 -723.6971 99746 -620.7543 81305 - -NAME:C122 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:341.78 -Num Peaks:10 -791.9988 2002347 -671.3299 436650 -670.9955 394163 -1006.4907 320354 -1005.9891 274538 -671.6642 252173 -1006.9919 161600 -867.4257 157298 -867.7596 107676 -671.998 72280 - -NAME:C123 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:378.93 -Num Peaks:10 -287.1314 821378 -244.1912 659230 -226.1806 630483 -448.1559 456998 -629.3895 444040 -356.2436 412497 -252.1752 301902 -608.344 132674 -289.1285 128241 -759.2861 50024 - -NAME:C124 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:411.55 -Num Peaks:10 -342.2642 16900869 -386.2905 2448677 -287.0764 570744 -367.2677 244019 -286.0827 232980 -149.9564 230362 -325.2854 179086 -559.3634 82672 -288.0798 72473 -541.1109 32808 - -NAME:C125 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:106.66 -Num Peaks:9 -303.8841 6218730 -275.8892 4484811 -171.9933 2472967 -352.1658 2444689 -148.9773 2271692 -156.9663 2135726 -400.1692 2011578 -304.2121 989898 -239.0918 564065 - -NAME:C126 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:4.23 -Num Peaks:9 -99.5124 17870593 -143.9593 2286473 -118.9676 1538455 -183.9874 1469060 -258.8868 1409015 -481.818 1077356 -504.8342 1009935 -463.8073 721305 -369.3519 522230 - -NAME:C127 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:39.87 -Num Peaks:9 -116.0708 86042331 -393.2099 13484898 -453.2103 9478872 -192.9619 3657597 -541.2633 3219600 -136.064 3062149 -394.2131 2264606 -438.2396 2183432 -304.9755 1528187 - -NAME:C128 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:45.38 Num Peaks:9 -315.0803 139585372 -359.0441 30216126 -333.0523 1679674 -368.9999 1294920 -355.0343 1204933 -673.1168 1085636 -695.0976 556473 -717.08 321791 -733.0538 238235 +315.0803 136757686 +359.0441 28298600 +333.0523 1753857 +368.9999 1357553 +355.0343 1273456 +673.1168 1157991 +695.0976 602789 +717.08 358408 +733.0538 267996 + +NAME:C117 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:45.09 +Num Peaks:9 +236.9985 3611958 +354.1273 2491015 +258.9806 1276894 +322.7381 797339 +464.8279 413516 +775.489 138945 +779.4829 134187 +790.3998 54021 +238.0019 27633 + +NAME:C118 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:106.66 +Num Peaks:9 +303.8841 6337873 +275.8892 4456504 +171.9933 2443027 +352.1658 2390182 +148.9773 2229082 +156.9663 2102738 +400.1692 1973832 +304.2121 976066 +239.0918 527022 + +NAME:C119 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:599.92 +Num Peaks:9 +794.6055 8558280 +769.5928 6389917 +86.0966 1310145 +380.2096 1103410 +195.9938 309855 +351.2897 159393 +355.1934 118289 +338.1863 52130 +396.2242 38524 + +NAME:C120 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:568.95 +Num Peaks:9 +95.0857 3687660 +378.7575 2530539 +525.3756 838593 +515.3971 600982 +714.4723 551401 +459.2411 254426 +333.2913 205094 +713.4849 128971 +222.2301 90912 + +NAME:C121 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:563.79 +Num Peaks:9 +808.5848 259402627 +760.5852 78084433 +163.9908 29471052 +179.9858 15679322 +420.7642 6190721 +88.5092 3659029 +798.0299 3181074 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+476.2758 398698 + +NAME:C126 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:472.97 +Num Peaks:9 +771.4663 31404010 +104.1071 12797360 +306.1522 7079271 +1020.6367 6767810 +1266.3017 6168774 +1018.1342 5809628 +769.9669 1383304 +762.9638 1315296 +94.4369 468684 + +NAME:C127 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:453.41 +Num Peaks:9 +1089.6794 3406421 +550.2772 1348147 +500.2756 1324610 +1003.5785 947648 +513.1709 920139 +544.1033 766420 +1004.5818 512419 +1027.5794 271686 +478.0986 162178 + +NAME:C128 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:437.84 +Num Peaks:9 +453.1678 4721332 +491.2947 1008131 +515.1372 323771 +867.3708 305994 +904.4946 286893 +868.3744 115876 +905.4978 110256 +460.7341 56718 +854.4064 54740 NAME:C129 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:43.11 +RETENTIONTIME:429.46 Num Peaks:9 -100.0758 48307597 -152.0708 7744988 -350.9074 2325785 -110.0658 2037240 -171.0995 1650668 -224.0298 1587028 -682.4984 573667 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-474.3489 2099582 -625.3136 1143909 -550.469 880644 -489.3196 562530 -626.3171 387457 -307.2635 364340 -445.2932 257755 - -NAME:C192 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:472.4 -Num Peaks:8 -496.3403 8946485764 -497.3437 2377073361 -992.6755 495377404 -498.3465 375291477 -1019.1343 52668387 -1018.6328 50362121 -771.9671 19011532 -995.6841 6214840 - -NAME:C193 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:472.92 -Num Peaks:8 -991.672 803481249 -1019.6354 33185645 -1020.1362 16112412 -534.297 8016969 -1020.6367 6779313 -1018.1342 5854924 -207.2006 2677056 -769.9669 1351136 - -NAME:C194 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:485 -Num Peaks:8 -679.4214 5168945 -679.923 4406053 -928.0942 1076355 -291.2535 309058 -1213.7814 278756 -576.7771 223640 -133.9028 190742 -417.2278 91691 - -NAME:C195 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:481.54 -Num Peaks:8 -549.8179 15406641 -1188.2679 3284877 -482.3383 3264424 -526.3674 953100 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-358.2592 2986333 -338.233 1495524 -302.1391 693055 -393.1909 400077 -324.1211 124973 -720.2729 84205 - -NAME:C205 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:395.04 -Num Peaks:8 -192.1386 3868238 -360.2748 1585366 -201.055 738290 -361.2782 261853 -405.1522 191874 -443.3008 116658 -366.1631 107609 -307.0629 40162 - -NAME:C206 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:402.45 -Num Peaks:8 -359.1057 995453 -538.3515 853257 -430.3168 168585 -539.355 128931 -361.1061 123353 -221.9901 95310 -302.1069 52849 -377.116 45360 - -NAME:C207 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:418.59 -Num Peaks:8 -295.2272 3097777 -353.2301 2822206 -385.1677 584579 -354.2336 452010 -296.2306 387599 -332.2516 348213 -314.2412 172622 -222.0952 74747 - -NAME:C208 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:6.53 -Num Peaks:7 -287.8892 5927599 -100.9324 1497202 -328.9157 1409234 -331.9161 726212 -161.9698 720511 -137.9644 660906 -153.9594 524310 - -NAME:C209 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:60.55 Num Peaks:7 -315.0802 149244393 -316.0834 18794276 -177.0873 8993268 -245.1864 2829038 -174.1856 2022405 -317.0841 1620245 -286.2016 1530983 - -NAME:C210 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:70.24 +315.0802 139863012 +316.0834 18113813 +177.0873 8713122 +245.1864 2916424 +174.1856 2056917 +317.0841 1687557 +286.2016 1557273 + +NAME:C190 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:41.18 +Num Peaks:7 +175.0481 24082563 +257.1728 1513343 +503.8382 553287 +228.0828 428006 +426.9314 371872 +414.1486 265684 +248.1486 226162 + +NAME:C191 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:36.91 +Num Peaks:7 +206.8943 36570414 +516.7004 2291638 +804.4965 1492938 +335.0191 1050047 +292.1984 1006313 +700.5813 832777 +307.8951 294776 + +NAME:C192 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:35.21 Num Peaks:7 -293.0982 3286452938 -294.1016 336983682 -160.0607 96603158 -247.0929 53345847 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-RETENTIONTIME:599.45 +RETENTIONTIME:437.65 Num Peaks:7 -785.5884 27856133 -792.5899 13764993 -766.5736 3611870 -818.6061 1623381 -755.538 693778 -833.587 684973 -793.593 322438 +783.5723 11407214 +477.2814 1968913 +454.1714 1198633 +882.5125 193959 +477.2689 154689 +446.2545 90936 +244.0748 71077 NAME:C222 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:597.28 +RETENTIONTIME:437.27 Num Peaks:7 -455.3349 3156771 -415.3422 2797707 -456.3383 734612 -341.3053 564000 -450.3795 536302 -433.3529 503971 -451.383 63869 +265.2724 421442 +262.6371 360609 +476.7386 197253 +468.4973 166679 +233.1175 163162 +571.7663 72411 +560.2019 44691 NAME:C223 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:560.65 +RETENTIONTIME:439.03 Num Peaks:7 -759.5718 33044312 -780.5516 30241241 -609.3396 1329261 -338.1709 638608 -666.4475 520646 -667.4476 145471 -425.2229 102619 +495.2689 696148 +212.2013 438408 +455.1661 196449 +468.1208 164699 +327.1375 129326 +296.1941 68891 +123.09 56771 NAME:C224 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:558.72 +RETENTIONTIME:446.51 Num Peaks:7 -213.6191 1005260 -628.4993 668898 -672.5262 646744 -721.5071 190117 -214.1208 183179 -255.1473 176033 -589.4292 122669 +313.1916 1245261 +115.0545 1145882 +535.259 354726 +829.4858 125270 +181.159 82302 +307.0632 72368 +411.3304 44139 NAME:C225 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:568.95 +RETENTIONTIME:452.86 Num Peaks:7 -584.3887 24291095 -308.2952 7442742 -751.542 3940314 -309.2984 1492646 -291.2687 1066059 -475.2563 486254 -376.3189 299290 +590.3223 2043025 +312.1351 1056855 +591.3257 459139 +167.0706 453302 +582.3126 202769 +490.1739 152271 +512.7649 134568 NAME:C226 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:572.2 +RETENTIONTIME:429.86 Num Peaks:7 -226.6269 1910151 -384.26 883580 -599.4121 882547 -457.3507 728233 -247.1403 366817 -412.2231 249225 -765.0508 227399 +251.0006 5900220 +237.1854 710105 +382.2955 364324 +428.9305 348589 +459.9284 190030 +231.9943 118684 +430.1075 73891 NAME:C227 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:563.05 +RETENTIONTIME:428.49 Num Peaks:7 -335.1671 45527263 -110.5219 12040977 -109.0225 8972161 -111.522 1971851 -778.5349 1232508 -817.5918 907448 -411.3473 482357 +388.3062 1962000 +415.3211 1108606 +171.0513 665138 +351.9908 382030 +345.9463 144268 +443.2798 116780 +289.2935 114562 NAME:C228 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:569.78 +RETENTIONTIME:429.81 Num Peaks:7 -596.895 8340751 -427.2458 1068505 -235.6343 606568 -350.2581 363060 -233.6338 280899 -577.399 275945 -355.743 100945 +348.9904 5322764 +350.9874 5176147 +252.9976 3850008 +205.1227 727736 +333.1676 120757 +308.2517 78628 +511.3236 60821 NAME:C229 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:536 +RETENTIONTIME:509.03 Num Peaks:7 -785.5893 21768986 -334.155 1044771 -242.2482 908833 -335.1519 750761 -256.2639 740356 -337.1474 231447 -243.2516 101065 +207.1747 2506600 +261.2429 1434624 +322.2956 313235 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-795.4667 557943 -794.9651 522642 -369.1829 197314 +342.2642 17603143 +386.2905 2421207 +287.0764 550127 +367.2677 234960 +286.0827 217750 +288.0798 61148 +541.1109 26207 NAME:C236 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:439.46 +RETENTIONTIME:408.13 Num Peaks:7 -542.3254 53411934 -543.3288 16189577 -491.2947 1045655 -289.6204 938003 -565.3099 532916 -532.2773 343470 -520.7787 164641 +357.2792 4789992 +512.3357 1882932 +440.2778 1409834 +290.22 122510 +282.0985 79628 +365.0789 52176 +172.5329 51136 NAME:C237 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:446.81 +RETENTIONTIME:404.91 Num Peaks:7 -516.3071 16125490 -605.3094 1262449 -237.2217 896916 -476.3142 799582 -665.4067 535972 -665.9083 324013 -117.07 226635 +437.1493 3894270 +387.2533 1531600 +439.1464 1224191 +438.1527 838007 +388.2568 372117 +207.0921 286725 +440.1498 253050 NAME:C238 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:516.61 +RETENTIONTIME:337.82 Num Peaks:7 -380.225 1447837 -530.8101 1163859 -1005.6882 1013420 -422.2551 930048 -1006.6915 448832 -1061.6835 285748 -1054.1731 122920 +384.1743 10182117 +149.9563 4183904 +585.2713 2356992 +385.1778 2019472 +293.1395 556770 +386.1702 169251 +293.6411 154098 NAME:C239 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:519.3 +RETENTIONTIME:331.55 Num Peaks:7 -551.8336 36653635 -312.0297 22791650 -290.1508 7990259 -314.0301 2460330 -1206.8152 1854912 -1193.806 1102987 -290.6519 576717 +398.1536 6653426 +399.157 1401069 +277.0525 478735 +285.1676 376583 +400.1493 116527 +199.5806 98457 +677.0035 75712 NAME:C240 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:507.35 +RETENTIONTIME:331.27 Num Peaks:7 -806.5693 42896527 -534.393 3472203 -535.3964 1021137 -476.3741 858288 -581.1835 460723 -643.1047 117017 -415.1145 50530 +237.1174 2808834 +723.0285 331883 +718.8667 278340 +719.3681 204750 +510.2931 166389 +723.6971 118622 +620.7543 99301 NAME:C241 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:462.91 -Num Peaks:7 -509.344 8301225 -756.5526 5337183 -785.5886 5032439 -281.2073 2550842 -593.3417 236355 -282.1352 106547 -432.8857 102779 +RETENTIONTIME:4.02 +Num Peaks:6 +158.9863 51260256 +259.8948 1545633 +280.8681 956860 +145.9547 742323 +88.9525 629575 +187.9599 496003 NAME:C242 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:479.87 -Num Peaks:7 -1018.6918 59284099 -357.3002 8911797 -1044.6497 8654514 -339.2896 6390989 -1046.1529 2878191 -1040.6746 1861863 -1060.162 387102 - -NAME:C243 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:494.88 -Num Peaks:7 -601.4725 6453538 -150.027 3048111 -627.4677 2011351 -444.7096 441024 -319.1844 431044 -810.5573 206709 -767.5349 153540 - -NAME:C244 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:485.85 -Num Peaks:7 -1001.6932 2091067 -1003.7085 1812238 -237.1853 861733 -977.692 811876 -233.1539 745964 -474.3586 461323 -444.3325 178578 - -NAME:C245 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:491.95 -Num Peaks:7 -335.1257 3946098 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-RETENTIONTIME:382.95 -Num Peaks:7 -272.0671 611444 -646.4164 150594 -640.3693 147402 -575.3582 140026 -294.1856 127627 -382.6685 97251 -612.3822 56932 - -NAME:C251 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:386.86 -Num Peaks:7 -209.1176 1693004 -308.2013 822294 -292.6356 592621 -350.2329 275682 -618.3845 263461 -241.1075 232226 -307.2636 141031 - -NAME:C252 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:403.42 -Num Peaks:7 -340.2486 4018741 -341.2519 767232 -301.2029 275717 -479.5244 247045 -350.2024 137713 -260.2225 82831 -445.3166 70423 - -NAME:C253 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:7.82 Num Peaks:6 -113.9638 484208124 -275.8892 4661493 -155.9748 3851923 -200.9961 2596637 -151.9377 835778 -160.9647 618447 - -NAME:C254 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:4.18 -Num Peaks:6 -182.9738 77873839 -158.9863 53399757 -154.9672 29956916 -280.8681 949386 -145.9547 740631 -88.9525 621705 - -NAME:C255 -IONMODE:Negative 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+RETENTIONTIME:37.4 +Num Peaks:6 +140.0685 228595061 +105.1074 19476629 +582.646 1651379 +267.0593 1636258 +177.98 1238773 +640.6044 737325 + +NAME:C252 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:42.19 +Num Peaks:6 +120.0746 44264135 +205.0975 31400738 +152.0708 7828628 +850.6098 1336220 +526.7814 380288 +906.5438 362038 + +NAME:C253 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:39.59 +Num Peaks:6 +176.0695 7193875 +395.1566 6714439 +261.0117 6290454 +211.0774 1459293 +832.503 624195 +284.004 455653 + +NAME:C254 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:38.12 +Num Peaks:6 +616.5982 3383088 +220.0303 2681010 +796.4416 2135762 +271.0437 1766646 +511.7998 371668 +393.885 300306 + +NAME:C255 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:35.53 +Num Peaks:6 +654.7167 900397 +314.1803 575327 +728.5595 524830 +780.6617 342689 +85.078 172365 +179.0906 149936 + +NAME:C256 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:37.61 +Num Peaks:6 +442.723 12061635 +268.8471 4190425 +134.0191 2651029 +618.7769 1661322 +335.9171 1238657 +214.1417 1005948 NAME:C257 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:38.93 -Num Peaks:6 -140.0685 219860738 -207.1108 15360268 -504.6302 4393981 -173.0788 1400589 -177.98 1263375 -556.8253 538226 +RETENTIONTIME:37.42 +Num Peaks:6 +254.8241 29947316 +196.8655 26901815 +400.8277 5819653 +776.5405 447055 +1064.4219 322252 +1006.4616 291236 NAME:C258 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:40.49 -Num Peaks:6 -209.0828 154166614 -198.0853 23072692 -498.8667 2534569 -598.6725 1179396 -401.8976 791861 -142.0691 760673 +RETENTIONTIME:35.19 +Num Peaks:6 +664.7459 465132 +722.704 423950 +838.6199 335957 +898.5763 230641 +896.5793 212376 +826.5951 173606 NAME:C259 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:43.85 -Num Peaks:6 -417.0028 7273821 -456.9886 1659090 -505.8912 1107338 -579.8235 338322 -439.9883 239822 -637.782 140424 +RETENTIONTIME:29.86 +Num Peaks:6 +182.9738 41020699 +259.8947 2287011 +153.9936 861157 +102.0132 618423 +254.9158 500925 +190.9796 348866 NAME:C260 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:37.74 -Num Peaks:6 -138.0528 2140314 -478.8517 920077 -860.6017 304474 -836.533 265519 -1104.3193 136482 -1008.459 135157 +RETENTIONTIME:30.06 +Num Peaks:6 +171.9932 17307923 +99.5124 13484190 +97.9915 3313725 +116.9721 3280541 +101.5089 804460 +158.9725 657845 NAME:C261 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:37.11 -Num Peaks:6 -392.7961 14755863 -506.7171 4622968 -268.8471 4183100 -512.8896 670363 -620.7573 530969 -692.5272 319232 +RETENTIONTIME:29.32 +Num Peaks:6 +112.9669 9938226 +114.9643 8346252 +155.991 2148296 +203.9044 551990 +121.9576 202953 +105.9632 24277 NAME:C262 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:29.76 -Num Peaks:6 -98.5122 91882734 -277.8604 1284340 -154.9672 1251174 -295.8709 729802 -245.8658 181845 -327.9188 72828 +RETENTIONTIME:279.32 +Num Peaks:6 +171.9933 6172763 +148.9773 4437071 +176.9722 3919135 +199.9883 3618885 +156.9663 3157549 +241.8843 1905882 NAME:C263 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:72.68 -Num Peaks:6 -211.1444 5430860 -232.9858 1570894 -283.9678 1226599 -354.1273 1024126 -220.0059 519916 -353.1056 344908 +RETENTIONTIME:596.39 +Num Peaks:6 +510.3927 1810461 +416.3456 648817 +433.3529 502963 +241.6419 463487 +242.1404 204487 +243.1383 58255 NAME:C264 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:600.15 -Num Peaks:6 -769.5928 6344045 -86.0966 1314667 -380.2096 1107810 -195.9938 317684 -338.1863 54814 -396.2242 43616 +RETENTIONTIME:569.82 +Num Peaks:6 +768.5893 27318147 +749.5258 10751998 +773.5878 6881634 +432.2354 2876503 +704.578 2617302 +598.9088 1772404 NAME:C265 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:599.37 -Num Peaks:6 -809.588 16974601 -804.5511 16368563 -805.5546 7999711 -807.5723 5213388 -791.5762 1449196 -763.5612 74545 +RETENTIONTIME:569.28 +Num Peaks:6 +358.2442 96340519 +308.2952 7536881 +813.6206 3825039 +309.2984 1447298 +291.2687 1021553 +501.3771 269886 NAME:C266 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:583.62 -Num Peaks:6 -782.5687 297808420 -783.5721 145895815 -786.6004 79633034 -111.0204 60205364 -759.5719 42557891 -806.5692 23984949 +RETENTIONTIME:569.1 +Num Peaks:6 +810.6011 125757849 +794.6053 36049141 +742.5745 18633180 +795.6087 17440685 +359.7463 2434470 +360.2422 1828406 NAME:C267 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:555.56 -Num Peaks:6 -255.2112 1249122 -199.1485 712446 -287.2329 508165 -187.1485 367024 -171.1171 256146 -227.1798 174171 +RETENTIONTIME:569.49 +Num Peaks:6 +427.2458 1082510 +235.6343 628635 +350.2581 381003 +233.6338 298589 +577.399 281586 +355.743 110413 NAME:C268 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:562.59 -Num Peaks:6 -144.9824 10084062 -816.5885 4845928 -146.9806 4165104 -790.5729 3867219 -337.1735 2960725 -339.1629 1372993 +RETENTIONTIME:566.88 +Num Peaks:6 +283.2828 40362649 +266.2564 1410438 +703.4753 863711 +698.5197 642399 +699.5234 256488 +704.4786 255278 NAME:C269 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:572.53 +Num Peaks:6 +358.3683 5710507 +270.2796 4301581 +361.1827 1315670 +508.3771 998706 +405.264 320140 +428.2493 312527 + +NAME:C270 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:565.17 +Num Peaks:6 +144.9824 10158193 +146.9806 4163153 +354.337 2491111 +303.2322 1224665 +452.3952 341067 +304.2356 152252 + +NAME:C271 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:563.24 Num Peaks:6 -313.274 29804492 -583.887 29375724 -97.5145 12171858 -540.4483 1169812 -1116.7302 235540 -726.4495 171106 - -NAME:C270 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.09 -Num Peaks:6 -112.0181 8377622 -429.3773 5168491 -359.3715 2750620 -454.3897 2702535 -764.5558 1562326 -98.5304 752606 - -NAME:C271 +313.274 30882642 +583.887 30743764 +97.5145 12119113 +540.4483 1138501 +1116.7302 220759 +726.4495 156747 + +NAME:C272 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:561.98 +Num Peaks:6 +428.3739 18807549 +376.1936 10209187 +336.1707 5749955 +377.1971 2063597 +333.1718 1908774 +394.2043 349124 + +NAME:C273 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:561.07 +Num Peaks:6 +785.5893 23297527 +665.444 1348865 +609.3396 1319083 +338.1709 638158 +666.4475 520430 +458.2237 293532 + +NAME:C274 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:564.81 Num Peaks:6 -282.2795 33122977 -354.337 2520638 -303.2322 1268197 -452.3952 354499 -304.2356 168215 -633.4548 143763 - -NAME:C272 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.79 -Num Peaks:6 -179.9858 15643800 -812.0459 4593077 -122.9642 4056045 -343.7878 2041455 -156.9698 1500092 -245.2268 382449 - -NAME:C273 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:573.15 -Num Peaks:6 -784.5839 115518924 -804.5511 16612306 -805.5547 7919667 -408.3688 181811 -391.3422 150150 -373.2498 86474 - -NAME:C274 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:572.36 -Num Peaks:6 -704.578 2614504 -357.3005 2611626 -598.9088 1782287 -124.9566 1177012 -610.4035 989598 -413.3243 259358 +703.5745 48638269 +343.2861 8825002 +744.5541 3677644 +399.7643 2690239 +356.2939 1936938 +584.4738 941375 NAME:C275 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:569.53 -Num Peaks:6 -796.6224 3221053 -573.3967 2367765 -189.0042 2128323 -360.7437 838375 -191.9966 238304 -479.2519 162780 +RETENTIONTIME:564.1 +Num Peaks:6 +188.0008 44044060 +110.5219 11974183 +109.0225 8942386 +111.522 1980118 +165.9913 1027222 +411.3473 495356 NAME:C276 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:572.53 -Num Peaks:6 -358.3683 5716715 -270.2796 4253778 -361.1827 1273479 -508.3771 944084 -405.264 284960 -428.2493 282968 +RETENTIONTIME:548.47 +Num Peaks:6 +749.9032 338968 +1128.6838 181966 +1055.0477 148276 +1129.6921 128884 +751.4119 107717 +1056.0503 99530 NAME:C277 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:568.77 -Num Peaks:6 -572.8945 4103559 -690.0241 2182946 -586.9059 1801948 -738.5336 1295754 -525.3756 829218 -963.6724 244921 - -NAME:C278 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:532.46 -Num Peaks:6 -420.7643 11566628 -522.3336 7409883 -97.9326 1863976 -103.9558 487703 -423.3088 157104 -370.2185 86459 - -NAME:C279 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:532.02 Num Peaks:6 -702.5359 1911256 -379.2847 481967 -407.2796 454430 -429.2617 422419 -478.7881 202231 -271.2061 110341 +702.5359 1894195 +379.2847 448312 +407.2796 420165 +429.2617 391629 +478.7881 182064 +271.2061 95793 + +NAME:C278 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:533.08 +Num Peaks:6 +420.7643 11597971 +333.1515 8906128 +522.3336 7541607 +97.9326 1874960 +103.9558 477304 +370.2185 76071 + +NAME:C279 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:535.39 +Num Peaks:6 +783.5722 150027362 +785.5893 21640624 +300.2901 2461414 +383.3312 817632 +275.2585 306890 +314.2694 190469 NAME:C280 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:537.3 -Num Peaks:6 -804.5512 27493919 -805.5548 12656204 -409.204 1862489 -206.106 245687 -226.6192 145010 -595.3907 143487 +RETENTIONTIME:536.02 +Num Peaks:6 +806.5694 35005698 +659.5137 687325 +597.4579 153699 +100.957 131192 +645.4184 91174 +366.324 56096 NAME:C281 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:530.22 -Num Peaks:6 -280.2639 6427432 -281.2673 1240513 -281.1415 987076 -540.4273 193501 -385.1544 157176 -522.8124 132113 +RETENTIONTIME:532.39 +Num Peaks:6 +807.5724 12024646 +99.0107 1434039 +281.1415 1069437 +341.2665 574393 +252.0507 214293 +385.1544 185182 NAME:C282 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:548.4 -Num Peaks:6 -738.4027 316212 -725.3988 297870 -661.2939 244757 -367.6307 119380 -397.2017 84484 -779.2591 69819 +RETENTIONTIME:467.07 +Num Peaks:6 +406.7232 1431310 +440.2189 1296067 +413.7119 953839 +1003.6718 944161 +392.1159 458102 +284.2952 360178 NAME:C283 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:547.3 -Num Peaks:6 -182.9855 40681581 -654.3321 6031864 -407.6561 3911379 -655.3356 2120303 -552.4121 282232 -232.0762 132935 +RETENTIONTIME:453.02 +Num Peaks:6 +86.0965 2172773 +524.2757 794795 +471.16 677330 +995.6093 204725 +478.4879 161915 +473.1983 142535 NAME:C284 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:548.58 -Num Peaks:6 -366.6295 1604303 -386.1451 620147 -724.8968 483043 -739.4143 295292 -726.4055 175879 -768.2271 48465 +RETENTIONTIME:457.1 +Num Peaks:6 +287.6335 96297140 +806.9653 9166105 +1079.6353 8131630 +1061.6563 6992516 +1062.6595 4197168 +519.342 1368179 NAME:C285 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:548.37 -Num Peaks:6 -343.1884 40253518 -343.7878 6844662 -738.9126 395545 -636.2974 159792 -748.8957 125236 -701.3171 63485 +RETENTIONTIME:442.96 +Num Peaks:6 +359.2859 763079 +331.2498 462747 +352.3213 103563 +278.1221 74768 +474.26 52063 +404.0419 24252 NAME:C286 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:432.29 -Num Peaks:6 -471.7963 1279158 -492.8171 1170687 -304.2309 803517 -512.8232 514245 -619.2852 407877 -345.9463 143742 +RETENTIONTIME:437.47 +Num Peaks:6 +282.1312 4995793 +336.1968 836531 +231.2516 548198 +253.6317 391856 +429.3005 256964 +936.614 59901 NAME:C287 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:432.5 -Num Peaks:6 -280.2639 7120624 -298.2744 4210474 -281.2673 1496501 -269.1753 537790 -534.2678 310087 -535.2711 253924 +RETENTIONTIME:437.83 +Num Peaks:6 +515.3206 2012998 +433.2419 911952 +468.7203 429033 +505.1085 382365 +478.2842 132894 +469.722 78474 NAME:C288 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:434.18 -Num Peaks:6 -521.2392 1498674 -345.2063 719690 -543.2213 75431 -373.1625 69519 -503.2283 31159 -815.3302 26670 +RETENTIONTIME:434.55 +Num Peaks:6 +579.2935 4871332 +598.3076 785741 +651.223 383899 +326.1153 374249 +581.2995 197287 +652.2259 63358 NAME:C289 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:436.75 -Num Peaks:6 -437.1939 12286966 -380.2564 10729064 -268.2639 783950 -427.2667 382257 -506.2652 178618 -617.3034 38383 +RETENTIONTIME:436.38 +Num Peaks:6 +381.2597 2280848 +268.2639 847403 +362.2459 658826 +427.2667 400459 +506.2652 193191 +617.3034 52524 NAME:C290 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:430.82 -Num Peaks:6 -179.107 1301150 -367.1731 410979 -252.0039 265514 -305.0474 259801 -254.001 134809 -324.2747 59743 +RETENTIONTIME:450.08 +Num Peaks:6 +434.3268 479240 +409.3428 272532 +365.2901 258892 +620.2639 200447 +413.3055 108227 +435.3307 89655 NAME:C291 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:419.4 -Num Peaks:6 -275.8893 999238 -207.1748 972454 -253.1396 439015 -241.8843 435223 -185.154 390513 -235.0641 25109 +RETENTIONTIME:430.54 +Num Peaks:6 +329.0055 29846493 +394.2897 4022232 +737.6202 1157897 +426.1134 507079 +418.9017 320019 +434.2449 122255 NAME:C292 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:422.39 -Num Peaks:6 -297.1337 632119 -413.3097 216062 -448.3145 170260 -372.257 151331 -491.226 57098 -400.0613 48112 +RETENTIONTIME:425.93 +Num Peaks:6 +209.0888 4507887 +383.2196 1606295 +311.2044 928991 +391.1571 81161 +137.3069 45805 +143.0494 40671 NAME:C293 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:427.74 -Num Peaks:6 -237.1175 5995397 -367.1359 1975728 -389.1146 361848 -722.3296 191955 -289.1631 114069 -336.0452 76239 +RETENTIONTIME:427.06 +Num Peaks:6 +237.1175 5994007 +367.1359 1961060 +288.1513 919242 +389.1146 338699 +722.3296 181755 +289.1631 109227 NAME:C294 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:429.73 -Num Peaks:6 -453.7857 2343228 -382.2955 366923 -251.133 306668 -346.2481 228826 -261.1175 157784 -292.1911 91059 +RETENTIONTIME:519.03 +Num Peaks:6 +310.1624 171732939 +526.3783 53086035 +312.0297 22758674 +547.3577 16785312 +353.0562 8050059 +548.361 2626302 NAME:C295 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:466.24 -Num Peaks:6 -1031.1345 3666809 -1055.6403 1472118 -1056.6444 677699 -820.9811 236084 -473.9652 164203 -236.2224 93221 +RETENTIONTIME:519.1 +Num Peaks:6 +1049.7427 13070147 +1074.6949 12358525 +1075.6978 9502020 +320.1678 5958447 +553.3303 1509320 +281.6631 1454249 NAME:C296 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:460.03 -Num Peaks:6 -528.3094 11890790 -529.3128 3423025 -575.2625 685092 -623.4394 540431 -384.3112 478031 -1211.7624 317296 +RETENTIONTIME:511.26 +Num Peaks:6 +228.2326 8607059 +530.343 2412030 +428.3648 2389407 +229.2359 992862 +579.1677 279714 +325.2933 186992 NAME:C297 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:451.11 -Num Peaks:6 -291.1209 1746803 -494.7363 297471 -546.216 207523 -805.9569 120884 -1040.6178 111936 -957.5282 96566 +RETENTIONTIME:524.84 +Num Peaks:6 +550.3881 20025353 +340.2849 3694659 +242.2482 1364305 +341.2882 811038 +299.2584 560300 +564.8407 246977 NAME:C298 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:456.27 -Num Peaks:6 -520.3404 3459910465 -1039.6734 177431306 -523.3492 21745269 -299.6334 21711255 -1042.6828 7988584 -1043.6848 1021029 +RETENTIONTIME:518.16 +Num Peaks:6 +930.6138 1686969 +380.225 1467200 +530.8101 1211710 +422.2551 960239 +1006.6915 482682 +815.5138 253218 NAME:C299 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:455.86 -Num Peaks:6 -545.3443 248200960 -546.3023 43843141 -1041.6798 34721613 -1065.6785 16442835 -1066.681 3685679 -1089.6794 3449101 +RETENTIONTIME:501.08 +Num Peaks:6 +759.5719 28501489 +469.3935 7881006 +430.3224 3112391 +263.1647 613018 +207.102 532707 +443.2986 121329 NAME:C300 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:453.13 -Num Peaks:6 -361.274 2368868 -590.3223 2045695 -312.1351 1050693 -591.3257 458057 -582.3126 204844 -490.1739 149115 +RETENTIONTIME:512.96 +Num Peaks:6 +759.5718 29361687 +785.5892 11475249 +432.258 2801032 +805.5547 2409486 +331.2246 2122710 +332.2282 284624 NAME:C301 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:451.55 -Num Peaks:6 -195.1019 1564711 -338.2774 801687 -534.7942 695519 -167.0706 436915 -546.7945 192974 -512.7649 122593 +RETENTIONTIME:506.61 +Num Peaks:6 +782.5687 341301434 +758.5685 86038199 +337.1577 578495 +477.2831 409284 +777.5775 197794 +737.5026 159815 NAME:C302 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:453.98 -Num Peaks:6 -482.3247 99125241 -483.3281 25211788 -1025.6573 1363460 -1003.6629 758452 -537.2869 322206 -353.269 255807 +RETENTIONTIME:487.18 +Num Peaks:6 +783.5721 84691589 +809.5882 11212782 +506.3248 1135004 +343.1544 732574 +528.8126 672013 +1181.2774 225365 NAME:C303 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:456.59 -Num Peaks:6 -542.3229 92655474 -543.3263 27223102 -300.29 17124924 -283.2828 5112365 -354.2853 3976319 -301.2933 3486815 +RETENTIONTIME:492.75 +Num Peaks:6 +688.5199 5577085 +645.498 3895432 +314.1471 1686440 +690.5263 362899 +273.2218 351812 +575.3185 162454 NAME:C304 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:456.3 -Num Peaks:6 -1040.6768 92861462 -288.1352 25831495 -104.1071 9540399 -1085.6543 2185443 -130.209 1584037 -1047.6288 610305 +RETENTIONTIME:496.65 +Num Peaks:6 +673.421 981354 +415.2542 889136 +673.9228 568008 +297.1713 378856 +674.4249 285120 +723.5081 252813 NAME:C305 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:447.47 -Num Peaks:6 -376.2931 1443085 -105.0701 1240475 -198.1856 416352 -497.7324 67677 -235.571 67674 -297.1853 52204 +RETENTIONTIME:477.07 +Num Peaks:6 +1162.7533 1912274 +1163.2561 1374343 +1175.2591 1361264 +1175.7629 1273965 +1174.7571 1167717 +267.1724 394752 NAME:C306 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:441.14 -Num Peaks:6 -358.2825 3759604 -286.6257 3532959 -448.2182 899202 -290.1221 165836 -449.2214 150430 -647.3192 100060 +RETENTIONTIME:482.88 +Num Peaks:6 +573.375 5040585 +625.455 2073776 +417.3368 1584537 +130.7128 1304622 +380.2096 592114 +418.3403 373743 NAME:C307 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:442.91 -Num Peaks:6 -183.0808 2689961 -509.336 2222363 -488.2465 516027 -383.2754 315043 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20827516 +356.288 11141285 +336.1291 634278 +412.2487 414180 +299.1622 310927 +359.0693 236993 NAME:C320 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:496.63 -Num Peaks:6 -556.4423 29052676 -583.4422 3645256 -532.3385 3155900 -602.4751 1152170 -570.4218 562765 -638.5201 198246 +RETENTIONTIME:405.82 +Num Peaks:6 +330.2643 2980166 +331.2676 542076 +182.1179 402606 +147.0574 368966 +479.2755 187427 +293.2844 68075 NAME:C321 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:499.62 -Num Peaks:6 -111.0204 12132063 -496.3931 1526878 -280.1628 1298906 -423.147 431645 -381.121 288996 -180.0384 171414 +RETENTIONTIME:402.19 +Num Peaks:6 +583.2558 5160614 +584.2593 1823936 +558.3178 542130 +585.2616 329221 +583.7575 311415 +259.6663 138843 NAME:C322 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:499.54 -Num Peaks:6 -513.42 10784339 -557.4457 8901350 -606.3916 656233 -594.4948 458898 -476.2368 133981 -515.4255 78348 +RETENTIONTIME:403.54 +Num Peaks:6 +296.2305 1755832 +272.1286 715932 +291.1959 701525 +327.217 383339 +199.1333 131467 +348.2749 53190 NAME:C323 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:522.46 -Num Peaks:6 -336.3265 6335982 -337.3298 1153779 -211.2061 407366 -441.7744 349296 -303.2534 194300 -403.2848 117278 +RETENTIONTIME:408.39 +Num Peaks:6 +313.2378 4548572 +737.6758 4480941 +434.3181 1675178 +473.3075 986008 +488.278 188311 +384.2903 95888 NAME:C324 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:519.17 -Num Peaks:6 -526.3783 53473216 -311.1662 8431578 -452.3742 2067822 -735.1064 500093 -521.1757 399959 -1045.7207 264404 +RETENTIONTIME:413.24 +Num Peaks:6 +560.335 7182494 +359.2221 2074232 +647.2349 735961 +616.1767 112727 +198.0918 89531 +478.1978 82077 NAME:C325 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:509.45 -Num Peaks:6 -464.3067 1435516 -423.2521 828858 -305.269 704558 -278.2694 154127 -360.2934 122414 -262.2462 112492 +RETENTIONTIME:382.87 +Num Peaks:6 +272.0671 582687 +646.4164 132465 +294.1856 113164 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NAME:C355 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:29.08 -Num Peaks:5 -282.9108 5457534 -138.9803 1644528 -255.3759 741925 -203.9044 546148 -105.9632 20472 +RETENTIONTIME:73.83 +Num Peaks:5 +211.1444 5473744 +324.9942 2104485 +283.9678 1170150 +220.0059 483882 +194.9743 55346 NAME:C356 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:29.82 -Num Peaks:5 -89.5069 16548610 -143.9593 2418149 -231.8995 1066500 -331.9161 507725 -121.9576 199638 - -NAME:C357 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:29.52 -Num Peaks:5 -141.9589 85622093 -259.8947 2306704 -299.913 982506 -102.0132 622578 -519.2776 608138 - -NAME:C358 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:30.78 -Num Peaks:5 -116.9721 3320801 -118.9676 1371141 -101.5089 813914 -158.9725 686721 -195.9938 650589 - -NAME:C359 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:29.51 -Num Peaks:5 -171.9932 16777618 -99.5124 13562957 -97.9915 3337861 -96.9611 1254277 -109.5218 330383 - -NAME:C360 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-RETENTIONTIME:585.47 -Num Peaks:5 -756.5526 7526487 -284.2952 899656 -296.2951 849430 -399.3262 281428 -389.1989 50318 +RETENTIONTIME:569.58 +Num Peaks:5 +596.895 8361853 +750.0272 6520559 +748.5269 2307956 +385.2041 453693 +976.174 442390 NAME:C365 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:555.33 -Num Peaks:5 -86.0965 2028655 -310.664 1659060 -386.1862 488701 -469.3142 448970 -105.0701 426888 +RETENTIONTIME:569.65 +Num Peaks:5 +796.6224 3219058 +573.3967 2365105 +360.7437 847842 +191.9966 245458 +479.2519 168225 NAME:C366 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:555.97 -Num Peaks:5 -189.1641 510750 -414.3006 416941 -133.1014 296908 -673.5281 242807 -214.1719 88829 +RETENTIONTIME:575.85 +Num Peaks:5 +112.0181 10795971 +807.5727 9648365 +359.3717 1164834 +501.2672 401667 +227.1838 175724 NAME:C367 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:555.65 +Num Peaks:5 +805.5546 21588150 +153.9827 1629817 +143.0858 325508 +129.07 62473 +269.3089 62418 + 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13568026 -354.2699 2670774 -688.024 676570 -717.4862 227079 -444.2178 119778 +128.9509 16027747 +99.5122 12065280 +811.0358 2812941 +86.0965 2393555 +207.0179 774915 NAME:C371 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:568.88 -Num Peaks:5 -768.5893 26969231 -749.5258 10819053 -773.5878 6808610 -432.2354 2862717 -712.4831 147150 +RETENTIONTIME:561.17 +Num Peaks:5 +783.572 138920267 +823.5431 14515180 +830.5676 11208613 +831.5709 5895590 +597.3966 2349601 NAME:C372 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:571.62 -Num Peaks:5 -339.2897 1695384 -775.5424 1137757 -777.0527 165270 -372.7545 128015 -703.0323 125066 - -NAME:C373 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:561.45 -Num Peaks:5 -806.5694 134351352 -758.5684 71123857 -807.5725 67089708 -756.5527 8645841 -828.5517 4510528 - -NAME:C374 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.75 -Num Peaks:5 -184.0737 6718090 -247.2424 2748546 -209.6298 624645 -212.2013 324775 -285.2902 313048 - -NAME:C375 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:561.3 -Num Peaks:5 -781.5549 13052911 -510.3926 6521897 -511.396 2709380 -532.3748 652225 -533.3782 66688 - -NAME:C376 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:575.85 -Num Peaks:5 -112.0181 10637375 -807.5727 9520952 -359.3717 1121981 -501.2672 393375 -227.1838 161373 - -NAME:C377 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:530.84 -Num Peaks:5 -809.5883 22929145 -111.5221 1564281 -146.9806 1088474 -751.5167 374448 -608.3895 141988 - -NAME:C378 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:529.87 -Num Peaks:5 -466.3298 14940974 -467.3331 3724352 -357.1515 2063158 -358.155 380944 -359.1519 146642 - -NAME:C379 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:544.92 Num Peaks:5 -438.3795 1310789 -576.8792 601675 -577.3809 356526 -577.8832 106732 -369.2231 99640 +438.3795 1286113 +576.8792 594202 +577.3809 350679 +577.8832 105191 +369.2231 101391 + +NAME:C373 +IONMODE:Negative 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116721 -278.1221 89062 -474.26 62770 -404.0419 29461 +RETENTIONTIME:456.4 +Num Peaks:5 +104.1071 9532767 +819.9679 2909012 +1085.6543 2192599 +130.209 1583099 +830.9655 1322850 NAME:C396 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:446.81 -Num Peaks:5 -266.1222 620521 -606.3128 363349 -319.5737 288108 -522.7876 176774 -513.7703 157048 +RETENTIONTIME:443.15 +Num Peaks:5 +371.2989 6095523 +304.1442 573346 +519.1297 185495 +304.646 103444 +295.1181 102940 NAME:C397 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:445.54 -Num Peaks:5 -253.2166 378947 -628.1838 272434 -508.2767 264871 -533.7864 140231 -912.0635 68780 +RETENTIONTIME:447.63 +Num Peaks:5 +518.3136 101499975 +494.531 389837 +227.0707 334679 +345.111 144756 +404.6508 135476 NAME:C398 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:445.72 -Num Peaks:5 -1010.6263 157304 -1135.4976 110996 -1077.5365 108228 -586.2183 108222 -1011.6403 106773 +RETENTIONTIME:436.99 +Num Peaks:5 +437.1939 12294566 +380.2564 10825470 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-SPECTRUMTYPE:Centroid -RETENTIONTIME:490.68 -Num Peaks:5 -396.2805 1437987 -715.5199 420176 -379.1578 355374 -427.2146 348774 -412.3426 325073 - -NAME:C414 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:491.34 -Num Peaks:5 -356.288 10975826 -412.2487 414541 -299.1622 310298 -359.0693 244913 -276.0534 114233 - -NAME:C415 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:491.63 -Num Peaks:5 -234.6244 1782289 -672.498 340865 -475.287 325815 -307.8099 107229 -275.0563 88938 - -NAME:C416 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.72 -Num Peaks:5 -149.0236 39132564 -584.4457 1133320 -526.3959 991484 -259.1122 487821 -585.3957 135962 - -NAME:C417 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:490.16 -Num Peaks:5 -549.3757 10703342 -357.3003 2770512 -474.7856 791005 -737.5025 557530 -214.1111 181148 +782.5687 189896672 +548.3366 1044082 +277.1803 768762 +338.6037 578302 +262.1443 186896 NAME:C418 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:489.51 -Num Peaks:5 -784.5831 28061233 -373.2952 3799984 -253.2531 623778 -777.5758 270343 -223.1164 127539 +RETENTIONTIME:476.62 +Num Peaks:5 +481.3125 22086712 +975.6407 5797091 +239.1645 5598552 +1162.2512 2554579 +516.2864 248379 NAME:C419 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:484.09 -Num Peaks:5 -807.5723 10923428 -355.2247 513136 -1200.2686 398094 -1037.1534 334813 -1199.7667 248223 +RETENTIONTIME:481.54 +Num Peaks:5 +1045.7113 11623329 +309.1546 2359074 +574.3781 833200 +440.314 657278 +127.153 216794 NAME:C420 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:489.39 -Num Peaks:5 -732.5463 2927407 -543.8178 743744 -401.2568 333439 -394.1079 270328 -793.5194 114373 +RETENTIONTIME:499.28 +Num Peaks:5 +533.3455 1023741 +341.2091 451218 +490.3303 222775 +527.359 164352 +317.1154 90547 NAME:C421 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:478 -Num Peaks:5 -1032.1425 9602616 -783.9725 6684602 -784.4744 5429603 -784.975 2536363 -599.4401 1476016 +RETENTIONTIME:494.98 +Num Peaks:5 +583.4422 3671223 +532.3385 3125204 +602.4751 1167942 +459.2807 406242 +369.2638 177890 NAME:C422 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:357.06 -Num Peaks:5 -311.2049 3020736 -349.1396 550569 -279.1233 67574 -522.1802 43857 -350.1431 43344 +RETENTIONTIME:491.69 +Num Peaks:5 +301.6491 3357894 +302.1509 944489 +598.3875 830422 +397.2929 408055 +413.0687 254334 NAME:C423 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:361.42 -Num Peaks:5 -325.1714 1857396 -626.3533 883125 -369.1448 698676 -326.1748 286167 -476.1922 167304 +RETENTIONTIME:402.78 +Num Peaks:5 +107.0493 1470245 +359.1057 986502 +539.355 125655 +361.1061 118915 +377.116 43338 NAME:C424 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:357.38 -Num Peaks:5 -254.1392 672521 -362.2047 366768 -220.1054 277602 -192.1104 122288 -256.1701 59130 +RETENTIONTIME:405.35 +Num Peaks:5 +159.1576 1355355 +143.107 480780 +254.2483 242163 +224.1367 173563 +369.2041 74801 NAME:C425 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:377.99 -Num Peaks:5 -464.2835 3474486 -172.1699 444969 -167.0814 351863 -788.3806 143210 -788.8821 126577 +RETENTIONTIME:409.61 +Num Peaks:5 +225.1965 1335762 +386.2541 836001 +281.0951 706942 +471.3072 142698 +475.2422 49494 NAME:C426 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:399.47 -Num Peaks:5 -228.1962 2341158 -250.1782 1353317 -229.1996 238840 -251.1816 83845 -276.074 45943 +RETENTIONTIME:407.75 +Num Peaks:5 +433.3147 10805010 +352.2251 1591370 +505.2451 955281 +503.2341 183215 +481.3859 57065 NAME:C427 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:401.14 -Num Peaks:5 -276.1996 577083 -173.9875 190286 -259.1732 185986 -219.9931 123235 -175.9846 103674 +RETENTIONTIME:406.28 +Num Peaks:5 +249.2065 870529 +236.2377 351318 +334.2148 109039 +558.4213 75147 +237.2411 63564 NAME:C428 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:386.89 -Num Peaks:5 -409.1498 1044921 -270.2069 357666 -293.1371 192542 -467.1531 159948 -318.0458 113186 +RETENTIONTIME:375.46 +Num Peaks:5 +347.1338 3805562 +199.9883 3319070 +282.9108 1506737 +508.1654 1286575 +403.321 171683 NAME:C429 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:402.88 -Num Peaks:5 -283.1731 253211 -368.2435 202254 -360.109 90568 -526.3515 59694 -418.0045 36860 +RETENTIONTIME:393.44 +Num Peaks:5 +286.2615 188502 +412.1792 172265 +238.1054 67378 +592.2579 52157 +483.3538 40093 NAME:C430 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:412.41 -Num Peaks:5 -199.9757 537853 -272.1919 478359 -196.0698 85140 -429.1911 80801 -219.0478 60159 +RETENTIONTIME:387.93 +Num Peaks:5 +490.818 1229685 +141.0913 725873 +270.2069 356950 +257.1664 298731 +275.1874 112841 NAME:C431 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:407.84 -Num Peaks:5 -231.0999 1818844 -681.2396 691736 -195.102 673666 -540.2186 352819 -682.243 181132 +RETENTIONTIME:380.7 +Num Peaks:5 +303.8841 2362820 +258.2302 316330 +229.1227 50129 +248.1366 41302 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+NAME:C437 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:363.87 +Num Peaks:5 +466.3168 1030473 +412.285 546568 +448.3064 538541 +384.2959 324991 +368.2726 85631 + +NAME:C438 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:347.66 +Num Peaks:5 +159.1171 3302994 +286.2017 745110 +365.2325 159947 +241.1632 64099 +264.0085 29347 + +NAME:C439 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:365.07 +Num Peaks:5 +211.0969 2789048 +142.0235 94076 +188.029 54083 +324.0532 50329 +335.1855 46766 + +NAME:C440 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:119.47 +Num Peaks:4 +303.884 2964580 +149.9563 2755667 +282.9108 1598219 +372.1588 115931 + +NAME:C441 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:166.86 Num Peaks:4 -158.9616 35673671 -303.8841 9799754 -275.8892 4523380 -176.9722 3687138 - -NAME:C434 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:99.31 -Num Peaks:4 -312.1168 1298526 -372.1588 1064551 -354.1273 895090 -406.1643 453200 - -NAME:C435 +158.9616 35773205 +303.8841 9909988 +275.8892 4528193 +176.9722 3705953 + +NAME:C442 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:3.61 +Num Peaks:4 +128.9611 34521697 +282.9108 2751310 +213.8893 703024 +218.8681 306669 + +NAME:C443 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:4.2 +Num Peaks:4 +116.9721 3855443 +89.94 3531664 +231.8995 810753 +133.9749 747223 + +NAME:C444 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:3.61 +Num Peaks:4 +182.9738 66201810 +154.9672 26826144 +171.9932 6827607 +350.9874 1557674 + +NAME:C445 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:11.54 Num Peaks:4 -152.9952 4826663 -170.4696 1428927 -408.7877 810695 -234.9475 667832 - -NAME:C436 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:6.65 -Num Peaks:4 -135.9456 1109952 -255.3759 819156 -129.9588 803260 -285.8938 581861 - -NAME:C437 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:4.76 -Num Peaks:4 -131.9745 31339678 -90.9479 11587994 -277.8604 1442511 -236.939 682958 - -NAME:C438 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:66.02 -Num Peaks:4 -235.0928 33553822 -442.9715 7068507 -105.0337 2936087 -293.1914 2167233 - -NAME:C439 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:67.33 -Num Peaks:4 -347.0128 10362119 -692.0185 5404254 -639.1069 4781238 -691.0107 3246995 - -NAME:C440 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:36.8 -Num Peaks:4 -184.082 72467424 -454.7032 1865442 -202.8655 658347 -670.6015 311728 - -NAME:C441 +152.9952 4771364 +170.4696 1428644 +408.7877 807674 +234.9475 663612 + +NAME:C446 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:7.64 +Num Peaks:4 +97.5145 4467629 +126.9722 2136984 +305.8997 2028613 +157.9741 701388 + +NAME:C447 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:5.18 +Num Peaks:4 +114.961 9989670 +138.988 2037016 +318.8869 1197976 +177.9577 1165970 + +NAME:C448 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:4.7 +Num Peaks:4 +131.9745 31140276 +111.9765 29368730 +90.9479 11655110 +277.8604 1463971 + +NAME:C449 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:37.78 +Num Peaks:4 +274.7924 3892341 +337.9234 3610077 +400.7382 2653067 +362.9305 1704481 + +NAME:C450 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:36 +Num Peaks:4 +654.8099 219068 +834.5375 148452 +302.8817 110905 +362.8375 101179 + +NAME:C451 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:37.19 Num Peaks:4 -232.897 8962217 -222.8682 7552103 -350.8114 1464199 -176.01 1347590 - -NAME:C442 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:41.09 -Num Peaks:4 -91.0544 8107483 -265.0354 4555626 -307.0443 1991644 -298.9587 350922 - -NAME:C443 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:46.83 -Num Peaks:4 -704.0454 505693 -689.0895 389318 -370.0029 220792 -554.0748 78322 - -NAME:C444 +232.897 9103361 +222.8682 7500421 +350.8114 1508979 +176.01 1398397 + +NAME:C452 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:53.92 Num Peaks:4 -638.1 3649006 -196.0914 2434129 -437.2361 1129867 -432.2808 86708 - -NAME:C445 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:36.58 -Num Peaks:4 -140.9567 8344368 -544.7087 3133241 -668.604 2029638 -596.7138 856844 - -NAME:C446 +638.1 3693445 +196.0914 2467942 +437.2361 1192440 +432.2808 105942 + +NAME:C453 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:39.12 +Num Peaks:4 +413.2666 4565429 +271.9654 2534757 +301.1414 2170882 +422.8752 2096462 + +NAME:C454 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:40.83 +Num Peaks:4 +782.4418 10534282 +664.5287 4482000 +499.8439 498851 +606.6608 454939 + +NAME:C455 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:36.96 +Num Peaks:4 +450.7469 10965178 +566.6719 6604260 +568.6692 6232381 +636.656 2954625 + +NAME:C456 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:37.88 +Num Peaks:4 +498.6849 8219440 +496.6879 3414021 +504.8289 1707751 +666.7319 261473 + +NAME:C457 +IONMODE:Negative 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-518.6531 1154364 -816.4766 670202 -630.7864 360804 -155.0794 190428 - -NAME:C448 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:39.97 -Num Peaks:4 -446.6713 7060919 -324.9903 5259463 -523.8184 522947 -270.0064 228415 - -NAME:C449 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:40.08 -Num Peaks:4 -178.059 3489662 -564.5853 3390501 -562.5882 2557270 -330.9462 998050 - -NAME:C450 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:39.45 -Num Peaks:4 -413.2666 4540239 -271.9654 2532891 -301.1414 2166075 -442.8062 493220 - -NAME:C451 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:35.96 -Num Peaks:4 -728.5595 554925 -762.5113 262351 -628.8063 154004 -1110.3546 143893 - -NAME:C452 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:35.68 -Num Peaks:4 -654.7167 940281 -314.1803 610927 -780.6617 375052 -179.0906 168072 - -NAME:C453 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:37.23 -Num Peaks:4 -189.1601 1134244 -453.8409 853141 -608.7014 502875 -778.575 381100 - -NAME:C454 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:36.96 -Num Peaks:4 -450.7469 10961662 -566.6719 6575046 -568.6692 6230262 -636.656 3068679 - -NAME:C455 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:43.35 -Num Peaks:4 -101.0792 2188348 -466.8251 860278 -524.7843 450620 -1074.2319 103159 - -NAME:C456 +500.6826 7790629 +208.0698 7789106 +154.059 1930093 +538.8077 635239 + +NAME:C463 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:22.96 +Num Peaks:4 +146.9616 5203799 +163.9405 2561198 +481.818 2237683 +159.965 2184045 + +NAME:C464 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:24.72 +Num Peaks:4 +139.9824 3610466 +135.9456 2093343 +145.4681 1434385 +236.939 909812 + +NAME:C465 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:26.36 Num Peaks:4 -128.9713 39558161 -157.9742 5713305 -294.8631 1442534 -187.96 510494 - -NAME:C457 +128.9713 42016323 +157.9742 5684273 +294.8631 1418355 +187.96 504388 + +NAME:C466 +IONMODE:Negative 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+IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:30.12 +Num Peaks:3 +183.986 1875543 +125.9865 1566748 +304.8919 1542780 + +NAME:C627 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:30.02 -Num Peaks:4 -182.9738 38874633 -153.9936 907927 -254.9158 509137 -190.9796 370703 - -NAME:C458 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:32.34 -Num Peaks:4 -276.8788 3327795 -223.9887 2158014 -199.9757 624073 -137.9888 531414 - -NAME:C459 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:28.39 -Num Peaks:4 -111.9845 26554487 -129.9588 1198647 -145.9547 1050660 -136.4628 709247 - -NAME:C460 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:29.84 -Num Peaks:4 -112.9669 10160869 -114.9643 8440151 -155.991 2143879 -147.9707 725583 - -NAME:C461 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:29.65 -Num Peaks:4 -113.9638 437324086 -287.8892 6108860 -92.9004 1499638 -286.8923 600255 - -NAME:C462 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:22.96 -Num 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161291 -355.1934 122746 -352.1937 76352 - -NAME:C469 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:599.67 -Num Peaks:4 -782.5687 153052089 -783.5721 74993940 -790.5729 396390 -731.4912 337042 - -NAME:C470 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:595.12 -Num Peaks:4 -590.895 1151151 -591.3967 787743 -603.903 216016 -243.1383 49086 - -NAME:C471 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:595.62 -Num Peaks:4 -592.9109 358252 -254.2565 75944 -605.9145 58371 -457.3412 45923 - -NAME:C472 +Num Peaks:3 +154.9672 1258103 +295.8709 734164 +327.9188 75855 + +NAME:C628 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:94.52 +Num Peaks:3 +189.0873 11071749 +471.7381 3076032 +472.2398 1608357 + +NAME:C629 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:71.83 +Num Peaks:3 +232.9858 1513762 +354.1273 979186 +353.1056 317288 + +NAME:C630 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:58.46 +Num Peaks:3 +215.1257 2774846 +171.0995 1169826 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-Num Peaks:4 -758.5684 87370497 -387.1984 1299175 -153.9827 1117445 -388.2019 231209 - -NAME:C476 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:579.56 -Num Peaks:4 -418.7484 58990426 -478.3299 18815246 -420.7642 18594912 -406.7484 14043668 - -NAME:C477 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:556.18 -Num Peaks:4 -269.2268 63795452 -182.9855 21976941 -95.0857 2003812 -331.2634 220747 - -NAME:C478 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:555.79 -Num Peaks:4 -805.5546 20750575 -153.9827 1681500 -143.0858 354153 -129.07 71202 - -NAME:C479 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:560.88 -Num Peaks:4 -809.588 31096345 -520.3407 8995585 -597.3966 2366329 -323.2584 256194 - -NAME:C480 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:555.64 -Num Peaks:4 -286.2295 2840223 -173.1328 469941 -185.1328 242571 -161.1328 129124 - -NAME:C481 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.4 -Num Peaks:4 -331.2846 16846745 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-RETENTIONTIME:568.94 -Num Peaks:4 -472.2311 502307 -229.0274 468400 -223.126 250673 -713.4849 124444 - -NAME:C489 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:568.97 -Num Peaks:4 -772.5844 22859026 -357.7479 2069221 -468.2369 1277648 -123.117 1182994 - -NAME:C490 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:568.87 -Num Peaks:4 -378.7575 2532374 -454.7879 1544943 -515.3971 582295 -714.4723 543690 - -NAME:C491 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:527.69 -Num Peaks:4 -90.5071 2947322 -326.3785 1617346 -433.2485 455644 -319.2923 363827 - -NAME:C492 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:534.9 -Num Peaks:4 -782.5687 488326169 -758.5685 138859998 -452.3589 261261 -336.1552 83631 - -NAME:C493 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:537.46 -Num Peaks:4 -570.458 2313318 -614.4835 2147766 -615.4871 647906 -640.4631 461792 - -NAME:C494 +Num Peaks:3 +265.2531 5130751 +536.893 4840582 +702.5313 369666 + +NAME:C642 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-IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:535.41 -Num Peaks:4 -352.3213 3563567 -353.3247 628468 -374.3033 293398 -335.2949 145675 - -NAME:C496 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:532.52 -Num Peaks:4 -807.5724 12420262 -99.0107 1350680 -341.2665 572104 -252.0507 205109 - -NAME:C497 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:536.28 -Num Peaks:4 -432.258 1807578 -331.1562 406897 -455.7213 276564 -641.4669 109873 - -NAME:C498 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:543.69 -Num Peaks:4 -326.3057 1516774 -113.0169 808168 -270.1033 170321 -317.269 71170 - -NAME:C499 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:547.92 -Num Peaks:4 -112.0181 7455281 -146.9806 2957690 -706.3458 368865 -396.6498 140015 - -NAME:C500 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:548.64 -Num Peaks:4 -639.3118 2933360 -736.4106 1223667 -696.3417 601764 -697.399 121935 - -NAME:C501 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:548.52 -Num Peaks:4 -638.3087 14273620 -607.7989 408060 -608.3004 277964 -386.6463 244551 - -NAME:C502 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:544.55 -Num Peaks:4 -387.3109 693072 -227.1245 656434 -385.1675 383873 -427.3036 198764 - -NAME:C503 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:428.53 -Num Peaks:4 -311.2044 886125 -273.2622 369240 -420.8987 79475 -312.189 78716 - -NAME:C504 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:422.06 -Num Peaks:4 -255.1959 3770805 -433.3317 1122096 -661.3781 102112 -490.2937 62682 - -NAME:C505 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:424.61 -Num Peaks:4 -177.0549 2255686 -245.0789 1068360 -364.0846 825642 -291.1207 295596 - -NAME:C506 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:425.01 -Num Peaks:4 -201.055 1505845 -447.3111 1079850 -389.3095 393584 -267.1233 244887 - -NAME:C507 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:426.12 -Num Peaks:4 -286.1441 89215468 -494.8125 11122696 -303.8841 4309397 -415.3211 1103486 - -NAME:C508 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:460.6 -Num Peaks:4 -1211.2588 471399 -1209.7504 426836 -446.327 334603 -610.2353 332471 - -NAME:C509 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:461.72 -Num Peaks:4 -139.9881 14058846 -423.3304 591207 -939.0846 240283 -197.154 88939 - -NAME:C510 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:468.39 -Num Peaks:4 -455.2968 14962192 -809.5884 5364778 -436.2826 1189839 -304.3002 971511 - -NAME:C511 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:463.72 -Num Peaks:4 -372.3111 7828849 -703.5745 5026490 -312.6413 2070920 -255.2323 704402 - -NAME:C512 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:468.16 -Num Peaks:4 -288.1607 1158231 -502.2761 940845 -502.7779 545295 -201.2046 114933 - -NAME:C513 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:468.21 -Num Peaks:4 -1044.1424 4212997 -275.1235 818324 -301.6414 492244 -1000.644 292125 - -NAME:C514 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:456.83 -Num Peaks:4 -1063.674 73045383 -289.6313 3116026 -1066.1317 1891344 -1092.1368 1401190 - -NAME:C515 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:454.46 -Num Peaks:4 -502.3117 158799555 -526.2773 1944520 -999.6316 934451 -1023.6326 883446 - -NAME:C516 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:455.11 -Num Peaks:4 -559.2996 9137664 -571.8013 1522763 -1103.6353 520034 -959.6086 185301 - -NAME:C517 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:455.38 -Num Peaks:4 -1001.6567 6631719 -567.3255 3906644 -1002.66 3551669 -299.135 914164 - -NAME:C518 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:440.15 -Num Peaks:4 -212.2013 436175 -298.1273 90120 -632.2203 63791 -123.09 54209 - -NAME:C519 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:434.57 -Num Peaks:4 -415.212 56922009 -493.3264 1064968 -338.1153 1004167 -425.1496 66572 - -NAME:C520 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:440.43 -Num Peaks:4 -368.2798 1959524 -284.1286 1811452 -524.2786 167429 -285.6282 144971 - -NAME:C521 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:444.78 -Num Peaks:4 -429.2277 194824 -595.2809 111634 -155.1433 80310 -247.0792 41126 - -NAME:C522 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:447.74 -Num Peaks:4 -518.3136 86348593 -227.0707 365360 -345.111 159177 -404.6508 145699 - -NAME:C523 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:447.14 -Num Peaks:4 -532.2812 1005959 -410.3268 355323 -829.4858 123253 -411.3304 39947 - -NAME:C524 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:446.54 -Num Peaks:4 -548.2447 746830 -273.6281 740320 -535.259 354967 -181.159 78564 - -NAME:C525 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:446.02 -Num Peaks:4 -351.1992 903982 -321.258 205263 -347.2583 186766 -455.3849 154161 - -NAME:C526 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:444.93 -Num Peaks:4 -313.1916 1221976 -623.3191 766373 -331.2498 462378 -307.0632 64962 - -NAME:C527 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:500.27 -Num Peaks:4 -254.2483 590917 -226.0979 405032 -235.1261 228876 -677.2532 74619 - -NAME:C528 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.91 -Num Peaks:4 -111.5221 2614693 -558.4484 1517440 -563.4038 267107 -614.4472 227970 - -NAME:C529 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:506.57 -Num Peaks:4 -782.5687 356107734 -758.5685 88487716 -477.2831 426901 -777.5775 205412 - -NAME:C530 +Num Peaks:3 +279.2323 3472556 +337.1474 249558 +336.1552 87219 + +NAME:C670 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:468.48 +Num Peaks:3 +185.077 1809906 +456.2999 1507715 +549.3108 1103073 + +NAME:C671 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:466.15 +Num Peaks:3 +654.8907 684001 +1076.5787 565415 +921.5344 553255 + +NAME:C672 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:466.19 +Num Peaks:3 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624315 -366.3216 117194 -393.3214 81240 - -NAME:C533 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:505.78 -Num Peaks:4 -494.3613 3378138 -574.3871 375150 -349.2952 290588 -372.29 44832 - -NAME:C534 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:500.33 -Num Peaks:4 -321.1425 677791 -497.3961 133551 -253.145 78834 -190.0503 71479 - -NAME:C535 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:495.82 -Num Peaks:4 -282.6414 1285498 -274.053 1189188 -302.157 271804 -359.2948 139913 - -NAME:C536 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:498.23 -Num Peaks:4 -533.3455 986889 -577.3718 486134 -542.4275 261527 -490.3303 195178 - -NAME:C537 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:499.65 -Num Peaks:4 -518.3754 2042758 -328.2051 326849 -527.359 143980 -317.1154 70875 - -NAME:C538 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:519.36 -Num Peaks:4 -512.4168 4508584 -468.3902 3781948 -321.1656 1400342 -1218.3104 1141870 - -NAME:C539 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:524.37 -Num Peaks:4 -551.3915 5979239 -438.7748 531496 -564.3388 525372 -564.8407 218247 - -NAME:C540 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:518.96 -Num Peaks:4 -547.3577 16737727 -548.361 2627351 -312.1604 1618625 -527.5979 435908 - -NAME:C541 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:519.03 -Num Peaks:4 -289.6492 27088277 -309.1648 10817562 -578.2908 5367191 -1061.1826 634696 - -NAME:C542 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:520.43 -Num Peaks:4 -562.3271 3695625 -1217.3065 2546593 -1217.8077 2203059 -930.1116 147536 - -NAME:C543 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:520.62 -Num Peaks:4 -353.0562 8052494 -285.2428 575213 -453.3777 211847 -902.6145 177655 - -NAME:C544 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:507.29 -Num Peaks:4 -283.2248 2212348 -339.1579 236300 -666.4339 217083 -338.161 52380 - -NAME:C545 -IONMODE:Negative -SPECTRUMTYPE:Centroid 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-RETENTIONTIME:426.47 -Num Peaks:3 -209.0888 4551118 -365.0877 101292 -143.0494 32261 - -NAME:C659 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:430.1 -Num Peaks:3 -251.0006 5890690 -332.9996 1028534 -430.9275 49241 - -NAME:C660 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:418.02 -Num Peaks:3 -285.1888 646673 -390.2725 240579 -374.3057 20746 - -NAME:C661 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:426.47 -Num Peaks:3 -149.9564 3746586 -288.2901 1180225 -223.0969 915011 - -NAME:C662 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:429.69 -Num Peaks:3 -344.2799 15888238 -345.2832 3198280 -421.2202 91077 - -NAME:C663 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:460.23 -Num Peaks:3 -760.5853 6239287 -831.9729 436818 -230.0897 325644 - -NAME:C664 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:465.46 -Num Peaks:3 -127.0304 386320 -1030.133 370179 -915.0847 213417 - -NAME:C665 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:467.13 -Num Peaks:3 -783.4665 1451444 -999.6409 785921 -1187.2601 371380 - -NAME:C666 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:464.72 -Num Peaks:3 -535.8023 2249800 -316.3214 429076 -1004.6758 224273 - -NAME:C667 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:461.94 -Num Peaks:3 -313.1431 629081 -315.2322 528083 -592.2478 198775 - -NAME:C668 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:460.63 -Num Peaks:3 -758.5685 32055831 -806.5692 13770807 -784.5835 9419162 - -NAME:C669 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:460.34 -Num Peaks:3 -1210.755 792386 -197.0965 169562 -1129.5699 118375 - -NAME:C670 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:453.25 -Num Peaks:3 -1038.6606 817055 -149.06 608646 -562.2762 256587 - -NAME:C671 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:453.26 -Num Peaks:3 -581.309 1685037 -568.1877 155333 -525.2792 150012 - -NAME:C672 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:454.69 -Num Peaks:3 -1037.6577 2376230 -1112.6762 1106307 -544.578 747913 - -NAME:C673 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:449.95 -Num Peaks:3 -266.6248 4168783 -437.349 210280 -956.5253 174014 - -NAME:C674 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:453.17 -Num Peaks:3 -1069.6256 417163 -517.7549 182490 -1050.6607 128164 - -NAME:C675 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:451.84 -Num Peaks:3 -396.3111 2759722 -397.3146 478714 -508.283 318299 - -NAME:C676 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:455.02 -Num Peaks:3 -522.3468 133186476 -1102.6325 885904 -599.3197 642198 - -NAME:C677 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:438.09 -Num Peaks:3 -438.1973 4917181 -439.2005 571392 -450.2987 425642 - -NAME:C678 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:439.54 -Num Peaks:3 -235.0695 776184 -210.1937 366173 -296.1941 61051 - -NAME:C679 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:437.43 -Num Peaks:3 -783.5723 11340254 -604.2972 2433639 -292.1368 206425 - -NAME:C680 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:438.27 -Num Peaks:3 -209.1904 3035486 -250.2171 424878 -935.6104 237059 - -NAME:C681 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:446.15 -Num Peaks:3 -611.1568 1437686 -584.221 810884 -533.285 553212 - -NAME:C682 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:446.8 -Num Peaks:3 -494.531 407289 -612.1603 335712 -276.6236 310169 - -NAME:C683 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:451.38 -Num Peaks:3 -269.983 225942 -1035.6399 202909 -793.9577 198449 - -NAME:C684 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:444.47 -Num Peaks:3 -785.5889 3311978 -186.1856 503503 -197.1541 183530 - -NAME:C685 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:441.66 -Num Peaks:3 -285.2039 250541 -286.1275 150673 -279.1933 55146 - -NAME:C686 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:444.8 -Num Peaks:3 -341.2114 704882 -585.2712 362403 -363.2897 118278 - -NAME:C687 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:447.4 -Num Peaks:3 -339.2685 1863447 -334.1417 169044 -555.1842 31333 - -NAME:C688 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:498.18 -Num Peaks:3 -561.3977 6815346 -487.3249 316854 -559.4513 84731 - -NAME:C689 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:499.64 -Num Peaks:3 -301.1414 3996533 -275.1583 387566 -438.343 250529 - -NAME:C690 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:501.23 -Num Peaks:3 -470.3964 1124087 -551.4726 260299 -463.1916 78631 - -NAME:C691 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:498.07 -Num Peaks:3 -397.2013 350996 -372.2313 175376 -705.4782 80311 - -NAME:C692 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:499.36 -Num Peaks:3 -512.4166 36313241 -86.0966 1594139 -558.3258 235081 - -NAME:C693 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:507.26 -Num Peaks:3 -112.0181 14167240 -809.5883 12609973 -403.2484 229877 - -NAME:C694 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:504.34 -Num Peaks:3 -386.2962 916772 -776.5729 907037 -236.6508 381111 - -NAME:C695 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:507.77 -Num Peaks:3 -502.3748 5192181 -737.5026 164837 -465.3102 122301 - -NAME:C696 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:510.47 -Num Peaks:3 -427.3615 13685325 -375.2509 8953778 -435.2511 905417 - -NAME:C697 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:513.31 -Num Peaks:3 -520.3408 6507319 -600.4688 3318644 -322.1467 502340 - -NAME:C698 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:513.7 -Num Peaks:3 -418.7484 59515263 -659.4069 596651 -600.4032 200616 - -NAME:C699 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:502.74 -Num Peaks:3 -239.1493 2299648 -249.0424 115367 -417.1595 100137 - -NAME:C700 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:503.14 -Num Peaks:3 -807.5724 7776854 -410.348 203685 -461.2567 173470 - -NAME:C701 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:504.29 -Num Peaks:3 -430.3224 3102061 -195.1231 1801357 -284.2035 264321 - -NAME:C702 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:501 -Num Peaks:3 -759.5719 28189401 -469.3935 7902571 -263.1647 609156 - -NAME:C703 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.69 -Num Peaks:3 -600.469 19533105 -539.4166 4738996 -255.2323 576856 - -NAME:C704 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.68 -Num Peaks:3 -282.1534 2546379 -540.4201 1537526 -621.3974 333619 - -NAME:C705 +Num Peaks:3 +289.139 3909810 +265.2531 760113 +310.3108 78184 + +NAME:C713 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:509.68 +Num Peaks:3 +369.1253 1370857 +332.3315 1350475 +324.29 970496 + +NAME:C714 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:520.53 +Num Peaks:3 +668.4301 4450015 +681.9354 3167903 +543.3457 336200 + +NAME:C715 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:521.58 Num Peaks:3 -424.3639 1516991 -313.0332 1291138 -441.2738 1259360 - -NAME:C706 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:520.53 -Num Peaks:3 -668.4301 4482610 -681.9354 3207717 -543.3457 347209 - -NAME:C707 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:519.65 -Num Peaks:3 -131.2164 1509210 -931.1167 1241070 -628.4744 551946 - -NAME:C708 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:520.16 -Num Peaks:3 -619.2932 3719041 -625.2991 2034237 -1218.8129 741360 - -NAME:C709 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:518.72 -Num Peaks:3 -527.3809 14100553 -552.8351 5830813 -1019.7044 2751006 - -NAME:C710 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:521.72 -Num Peaks:3 -682.4453 4433086 -578.7923 2442243 -523.3734 1014056 - -NAME:C711 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:505.26 -Num Peaks:3 -380.3374 4101734 -336.3112 614162 -337.1577 583387 - -NAME:C712 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:509.68 -Num Peaks:3 -369.1253 1354124 -332.3315 1345425 -324.29 948842 - -NAME:C713 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:511.87 -Num Peaks:3 -228.2326 8881482 -229.2359 917428 -579.1677 266854 - -NAME:C714 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:472.99 -Num Peaks:3 -523.3003 72201779 -478.3299 21375606 -267.6473 9486523 - -NAME:C715 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:473.76 -Num Peaks:3 -1267.3051 5860396 -497.1365 3211797 -261.2218 532413 +424.3639 1513553 +313.0332 1311965 +441.2738 1257295 NAME:C716 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:459.77 -Num Peaks:3 -807.5723 3678428 -291.6362 3140073 -277.6306 193702 +RETENTIONTIME:521.59 +Num Peaks:3 +682.4453 4405844 +440.772 2708784 +220.1168 516294 NAME:C717 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:466.15 -Num Peaks:3 -654.8907 632011 -1076.5787 518235 -921.5344 508826 +RETENTIONTIME:506.68 +Num Peaks:3 +808.5851 34870782 +403.2484 237483 +342.27 217350 NAME:C718 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:477.86 -Num Peaks:3 -1175.2591 1385946 -1175.7629 1288874 -1174.7571 1183408 +RETENTIONTIME:486.25 +Num Peaks:3 +269.2091 832166 +1180.774 155984 +405.2617 136139 NAME:C719 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:476.45 -Num Peaks:3 -1032.6437 5536832 -307.15 1710053 -596.3719 372512 +RETENTIONTIME:477.05 +Num Peaks:3 +976.6438 2881792 +1164.2638 505931 +236.173 331630 NAME:C720 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:487.66 -Num Peaks:3 -809.5882 11152347 -343.1544 737010 -528.8126 680448 +RETENTIONTIME:473.48 +Num Peaks:3 +297.1487 7202244 +515.3145 6849803 +330.0402 6226637 NAME:C721 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:472.61 +Num Peaks:3 +993.6785 143808152 +994.6813 33724405 +399.3301 1191248 + +NAME:C722 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:474.06 +Num Peaks:3 +276.6526 4337056 +295.6483 4017282 +284.6387 796100 + +NAME:C723 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:482.3 +Num Peaks:3 +337.1828 2578264 +290.1434 1964551 +617.2778 1483601 + +NAME:C724 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:481.97 +Num Peaks:3 +482.3383 3246494 +1093.7198 744577 +521.3572 500366 + +NAME:C725 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:481.48 +Num Peaks:3 +289.6432 5031905 +523.5836 538425 +945.6891 224819 + +NAME:C726 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:480.32 Num Peaks:3 -537.3103 7570793 -1046.653 849477 -281.1569 750423 - -NAME:C722 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:479.63 -Num Peaks:3 -1017.6884 104853285 -1056.6518 585262 -340.293 470630 - -NAME:C723 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:490.26 -Num Peaks:3 -461.7777 290424 -308.2953 243103 -472.4004 162159 - -NAME:C724 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:489.93 -Num Peaks:3 -421.233 4084539 -377.1624 822607 -374.2985 601115 - -NAME:C725 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:486.22 -Num Peaks:3 -1031.7046 1460230 -1050.6653 343446 -1049.6582 121197 - -NAME:C726 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:480.65 -Num Peaks:3 -280.6552 4697172 -204.1387 591193 -541.832 327950 +537.3103 7606768 +1046.653 842262 +281.1569 733928 NAME:C727 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:481.9 -Num Peaks:3 -572.3715 20023193 -111.0204 18317905 -1066.6888 1042487 +RETENTIONTIME:494.6 +Num Peaks:3 +649.4499 2519266 +628.4711 681084 +607.4306 185176 NAME:C728 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:478.25 -Num Peaks:3 -1033.1449 2269349 -249.1854 1466681 -785.476 939038 +RETENTIONTIME:496.65 +Num Peaks:3 +111.5221 2607449 +563.4038 265103 +614.4472 227260 NAME:C729 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:332.54 -Num Peaks:3 -619.7514 616699 -620.2531 149662 -646.7109 63389 +RETENTIONTIME:501.88 +Num Peaks:3 +425.3671 4033039 +470.3964 1126420 +454.3745 297442 NAME:C730 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:367.89 -Num Peaks:3 -272.2095 2003655 -506.1497 1692923 -343.1357 60487 +RETENTIONTIME:499.69 +Num Peaks:3 +518.3754 2076677 +328.2051 334420 +206.0897 127455 NAME:C731 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:368.2 -Num Peaks:3 -505.1463 6425883 -351.1628 1034377 -508.1488 64974 +RETENTIONTIME:494.18 +Num Peaks:3 +459.2513 3267379 +646.5007 776709 +665.4241 156078 NAME:C732 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:366.85 -Num Peaks:3 -490.2079 1007651 -140.0264 574938 -489.1737 286203 +RETENTIONTIME:495.87 +Num Peaks:3 +150.027 3097053 +562.4009 2149942 +810.5573 209391 NAME:C733 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:354.77 -Num Peaks:3 -190.0866 1643831 -591.3184 995027 -285.0326 310332 +RETENTIONTIME:478.41 +Num Peaks:3 +304.2355 7099286 +285.2217 5787611 +472.2229 310824 NAME:C734 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:354.68 -Num Peaks:3 -430.332 799243 -307.2483 380890 -270.6119 92514 +RETENTIONTIME:478.44 +Num Peaks:3 +783.9725 6664953 +784.4744 5408107 +784.975 2555685 NAME:C735 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:354.21 -Num Peaks:3 -593.3344 455873 -504.1688 106359 -703.3591 73537 +RETENTIONTIME:489.69 +Num Peaks:3 +305.2436 13891760 +776.5728 959559 +220.1062 281833 NAME:C736 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:384.08 -Num Peaks:3 -119.0579 3709634 -398.3422 277827 -545.2686 246403 +RETENTIONTIME:489.14 +Num Peaks:3 +543.8178 750872 +422.2364 715774 +793.5194 123095 NAME:C737 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:379.75 -Num Peaks:3 -777.6933 2888409 -447.2936 128975 -477.2854 77474 +RETENTIONTIME:492.24 +Num Peaks:3 +335.1257 3947312 +318.0426 570211 +276.0534 115240 NAME:C738 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:373.59 -Num Peaks:3 -589.3028 482833 -590.3061 114378 -482.239 55119 +RETENTIONTIME:408.79 +Num Peaks:3 +289.1891 703155 +240.0686 357879 +290.0502 129463 NAME:C739 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:372.59 -Num Peaks:3 -301.253 839228 -256.1912 135239 -393.2848 31186 +RETENTIONTIME:413.87 +Num Peaks:3 +737.843 3200594 +121.1014 2705645 +168.0892 1048201 NAME:C740 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:375.43 -Num Peaks:3 -548.189 1003390 -550.1893 115986 -483.138 112243 +RETENTIONTIME:400.87 +Num Peaks:3 +303.8841 2773762 +430.3168 152053 +221.9901 81950 NAME:C741 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:381.33 -Num Peaks:3 -264.1361 1316490 -347.222 679759 -383.1699 24947 +RETENTIONTIME:403.69 +Num Peaks:3 +343.2959 2028497 +318.0791 1718704 +344.2992 314657 NAME:C742 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:394.97 -Num Peaks:3 -193.1421 301302 -462.3067 60141 -327.1418 53414 +RETENTIONTIME:402.27 +Num Peaks:3 +300.1996 1946939 +276.1996 571891 +287.1735 278000 NAME:C743 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:387.83 -Num Peaks:3 -428.1636 275271 -410.153 78042 -389.4325 41459 - -NAME:C744 -IONMODE:Negative -SPECTRUMTYPE:Centroid RETENTIONTIME:402.63 Num Peaks:3 -317.0712 370134 -222.1255 92728 -363.0768 48933 +317.0712 367623 +222.1255 91784 +363.0768 47360 + +NAME:C744 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:404.97 +Num Peaks:3 +375.2897 608129 +410.2906 147661 +270.2432 50478 NAME:C745 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:414.21 -Num Peaks:3 -303.8841 2512372 -301.2853 175235 -297.6467 69785 +RETENTIONTIME:402.73 +Num Peaks:3 +368.2435 192984 +526.3515 53179 +418.0045 34894 NAME:C746 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:410.76 -Num Peaks:3 -285.0728 2059272 -364.2487 86875 -198.0918 86679 +RETENTIONTIME:399.72 +Num Peaks:3 +829.9475 5975400 +333.2427 2079981 +353.2302 1856938 NAME:C747 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:412.34 -Num Peaks:3 -343.2631 2659535 -453.7857 1643279 -226.1998 67897 +RETENTIONTIME:403.55 +Num Peaks:3 +805.0592 2806822 +829.5714 1617738 +370.2051 214802 NAME:C748 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:407.42 -Num Peaks:3 -433.3147 11075487 -352.2251 1582355 -503.2341 169314 +RETENTIONTIME:420.2 +Num Peaks:3 +189.1641 558283 +535.3238 194941 +491.226 57571 NAME:C749 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:402.48 Num Peaks:3 -205.1227 808639 -213.6009 281732 -421.1444 57374 +205.1227 826157 +213.6009 321954 +421.1444 77401 NAME:C750 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:403.78 -Num Peaks:3 -272.1286 650102 -199.1333 113659 -348.2749 41146 +RETENTIONTIME:402.38 +Num Peaks:3 +266.1949 56868 +302.1069 55462 +582.2479 52370 NAME:C751 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:400.97 +Num Peaks:3 +163.112 1683118 +576.9996 364779 +578.9969 110976 + +NAME:C752 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:408.12 +Num Peaks:3 +274.2564 183091 +485.2232 90072 +155.0858 55489 + +NAME:C753 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:413.41 +Num Peaks:3 +452.3287 751130 +151.1484 418968 +169.0926 265046 + +NAME:C754 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:413.82 +Num Peaks:3 +256.1629 427481 +301.2853 165747 +457.336 63938 + +NAME:C755 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:412.18 Num Peaks:3 -451.3254 5256842 -346.2414 324610 -303.0795 299008 - -NAME:C752 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:416.16 -Num Peaks:3 -378.2408 5718035 -463.2333 1223719 -388.184 586004 - -NAME:C753 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:396.48 -Num Peaks:3 -329.2519 1118884 -602.2699 356505 -603.2729 46931 - -NAME:C754 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:392.52 -Num Peaks:3 -418.2132 124762 -238.1054 59006 -483.3538 29116 - -NAME:C755 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:401.48 -Num Peaks:3 -107.0493 1470178 -266.1949 51182 -164.1155 43022 +451.3254 5234666 +346.2414 341914 +303.0795 309570 NAME:C756 IONMODE:Negative SPECTRUMTYPE:Centroid -RETENTIONTIME:403.55 -Num Peaks:3 -805.0592 2821730 -829.5714 1624309 -370.2051 214997 +RETENTIONTIME:392.29 +Num Peaks:3 +479.1899 507163 +284.1328 88988 +307.0629 31770 NAME:C757 IONMODE:Negative SPECTRUMTYPE:Centroid +RETENTIONTIME:387.04 +Num Peaks:3 +409.1498 1012246 +293.1371 180253 +467.1531 142720 + +NAME:C758 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:374.1 +Num Peaks:3 +253.0976 2758776 +385.3105 240927 +649.3332 81701 + +NAME:C759 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:379.45 +Num Peaks:3 +347.222 662606 +629.3895 423908 +759.2861 42522 + +NAME:C760 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:380.61 +Num Peaks:3 +151.0756 2122191 +391.1601 634454 +627.3568 535117 + +NAME:C761 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:380.2 +Num Peaks:3 +247.1333 778963 +191.0706 321916 +360.0898 78571 + +NAME:C762 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:395.49 +Num Peaks:3 +329.2519 1128952 +617.2602 345696 +616.2525 50906 + +NAME:C763 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:373.93 +Num Peaks:3 +535.1935 553636 +601.2662 185823 +615.3735 140851 + +NAME:C764 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:375.43 +Num Peaks:3 +548.189 1000422 +550.1893 117083 +483.138 109803 + +NAME:C765 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:368.09 +Num Peaks:3 +253.1955 2594016 +352.1661 94383 +221.0812 67258 + +NAME:C766 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:345.83 +Num Peaks:3 +309.2275 1381728 +588.6471 110898 +882.4649 49766 + +NAME:C767 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:358.47 +Num Peaks:3 +300.2173 1152290 +200.2013 260303 +526.2656 46857 + +NAME:C768 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:353.8 +Num Peaks:3 +364.2203 1222281 +307.2483 376554 +270.6119 90869 + +NAME:C769 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:366.27 +Num Peaks:3 +275.8893 1175571 +465.1227 649597 +270.1983 239581 + +NAME:C770 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:368.48 +Num Peaks:3 +312.2174 5330943 +468.1153 100862 +624.3376 25737 + +NAME:C771 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:367.98 +Num Peaks:3 +505.1463 6422086 +464.1194 2904006 +351.1628 1022401 + +NAME:C772 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:362.05 +Num Peaks:3 +149.9564 12934935 +241.8843 1683464 +476.1922 161310 + +NAME:C773 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:360.65 +Num Peaks:3 +303.8841 4250958 +199.9883 2204807 +202.1442 112263 + +NAME:C774 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:356.84 +Num Peaks:3 +361.2013 1754623 +321.2275 45701 +178.1311 39504 + +NAME:C775 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:354.71 +Num Peaks:3 +430.332 746246 +504.1688 96655 +703.3591 63284 + +NAME:C776 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:355.43 +Num Peaks:3 +190.0866 1646755 +254.1392 641778 +285.0326 301619 + +NAME:C777 +IONMODE:Negative +SPECTRUMTYPE:Centroid RETENTIONTIME:304.32 Num Peaks:3 -186.9566 18862365 -275.8892 7885337 -176.9722 5533009 - -NAME:C758 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:279.07 -Num Peaks:3 -186.9566 11587717 -149.9563 3896609 -467.8018 2716998 - -NAME:C759 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:242.18 -Num Peaks:3 -171.9933 4544266 -199.9883 2753855 -176.9722 2675829 - -NAME:C760 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:234.66 -Num Peaks:3 -130.0653 4493947 -176.0709 2296213 -131.0687 62885 - -NAME:C761 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:209.39 -Num Peaks:3 -171.9933 7208664 -176.9722 4008045 -372.1588 620866 - -NAME:C762 +186.9566 19529840 +275.8892 8017438 +176.9722 5558862 + +NAME:C778 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:117.12 +Num Peaks:2 +199.9883 2788901 +156.9663 2359173 + +NAME:C779 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:114.68 +Num Peaks:2 +158.9616 37990095 +467.8018 3254609 + +NAME:C780 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:127.87 +Num Peaks:2 +467.8018 2409901 +135.0443 1471080 + +NAME:C781 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:121.1 +Num Peaks:2 +293.0983 286469143 +315.0802 7775195 + +NAME:C782 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:176.51 Num Peaks:2 -467.8018 2232229 -490.818 813365 - -NAME:C763 +467.8018 2233961 +490.818 833710 + +NAME:C783 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:162.12 Num Peaks:2 -156.9663 2948552 -372.1588 536109 - -NAME:C764 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:148.15 -Num Peaks:2 -467.8017 1881433 -286.2016 570872 - -NAME:C765 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:117.12 -Num Peaks:2 -199.9883 2829647 -156.9663 2404330 - -NAME:C766 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:114.68 -Num Peaks:2 -158.9616 38085216 -467.8018 3242151 - -NAME:C767 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:121.1 -Num Peaks:2 -293.0983 299235257 -315.0802 7932045 - -NAME:C768 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:103.96 -Num Peaks:2 -293.0983 324355473 -315.0802 14669059 - -NAME:C769 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:89.37 -Num Peaks:2 -347.0151 8818502 -314.1582 496496 - -NAME:C770 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:94.41 -Num Peaks:2 -171.9933 2804582 -148.9773 1864267 - -NAME:C771 +156.9663 2917468 +372.1588 504568 + +NAME:C784 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:132.09 +Num Peaks:2 +303.8841 6120203 +275.8892 1938072 + +NAME:C785 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:2.96 +Num Peaks:2 +141.9589 71706444 +90.5071 1086545 + +NAME:C786 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:8.17 +Num Peaks:2 +96.9611 1626077 +519.2775 454658 + +NAME:C787 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:4.62 +Num Peaks:2 +163.9405 1200861 +193.9304 1088090 + +NAME:C788 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:11.62 +Num Peaks:2 +147.9707 806247 +203.9044 266084 + +NAME:C789 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:9.31 +Num Peaks:2 +132.9749 537105 +124.9566 248058 + +NAME:C790 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:3.22 +Num Peaks:2 +178.991 1267766 +254.8801 421814 + +NAME:C791 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:9.03 +Num Peaks:2 +100.014 774968 +102.0132 527997 + +NAME:C792 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:3.17 +Num Peaks:2 +130.9667 22077796 +258.8868 1395131 + +NAME:C793 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:43.28 +Num Peaks:2 +114.079 92288028 +189.0743 5588830 + +NAME:C794 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:43.51 +Num Peaks:2 +195.088 29879433 +130.1593 929130 + +NAME:C795 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:41.48 +Num Peaks:2 +121.0843 4292516 +142.0691 760308 + +NAME:C796 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:41.8 +Num Peaks:2 +243.0535 2480253 +240.1023 631290 + +NAME:C797 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:36.73 +Num Peaks:2 +522.6908 1102444 +656.7141 509797 + +NAME:C798 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:40.16 +Num Peaks:2 +192.9619 3674163 +328.7566 2648559 + +NAME:C799 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:39.69 +Num Peaks:2 +135.0031 87375782 +92.0577 186337 + +NAME:C800 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:35.44 +Num Peaks:2 +396.8125 1557461 +93.0449 81843 + +NAME:C801 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:35.47 +Num Peaks:2 +518.9255 468445 +414.27 210868 + +NAME:C802 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:39.64 +Num Peaks:2 +504.6302 4390744 +173.0788 1398343 + +NAME:C803 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:47.41 +Num Peaks:2 +142.9483 1802024 +340.7091 73547 + +NAME:C804 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:50.67 +Num Peaks:2 +108.9832 2421626 +130.9332 612661 + +NAME:C805 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:37.72 +Num Peaks:2 +426.812 6092969 +167.0876 3447133 + +NAME:C806 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:43.15 +Num Peaks:2 +96.0446 708415 +524.7843 437608 + +NAME:C807 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:38.33 +Num Peaks:2 +600.6697 2585978 +378.8635 1928268 + +NAME:C808 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:21.39 +Num Peaks:2 +186.9566 36955050 +303.8841 6751485 + +NAME:C809 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:16.37 Num Peaks:2 -107.9506 603383 -172.9777 208435 - -NAME:C772 +107.9506 601994 +172.9777 217281 + +NAME:C810 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:19.54 Num Peaks:2 -184.9613 3037746 -133.9749 658712 - -NAME:C773 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:2.96 -Num Peaks:2 -141.9589 68023891 -90.5071 1101650 - -NAME:C774 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:9.03 -Num Peaks:2 -100.014 788049 -102.0132 505511 - -NAME:C775 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:75.96 -Num Peaks:2 -277.1185 997240 -279.1706 561964 - -NAME:C776 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:37.65 -Num Peaks:2 -400.7382 2647477 -106.1114 644125 - -NAME:C777 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:37.72 -Num Peaks:2 -426.812 5924912 -167.0876 3466535 - -NAME:C778 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:34.21 -Num Peaks:2 -85.078 189552 -93.0449 85988 - -NAME:C779 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:30.45 -Num Peaks:2 -100.9446 931409 -108.914 502540 - -NAME:C780 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:30.08 -Num Peaks:2 -97.5145 4904216 -100.014 689892 - -NAME:C781 +184.9613 3084749 +133.9749 675976 + +NAME:C811 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:26.29 +Num Peaks:2 +90.5071 1719937 +161.9698 566517 + +NAME:C812 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:28.68 +Num Peaks:2 +241.8843 6452252 +89.94 6145338 + +NAME:C813 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:28.85 +Num Peaks:2 +126.9722 2880984 +145.9547 1023095 + +NAME:C814 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:29.8 +Num Peaks:2 +100.5101 10572979 +519.2776 603833 + +NAME:C815 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:26.55 Num Peaks:2 -156.9761 6449624 -449.7911 1386096 - -NAME:C782 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:21.39 -Num Peaks:2 -186.9566 35975155 -303.8841 6812592 - -NAME:C783 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:26.29 -Num Peaks:2 -90.5071 1699152 -161.9698 550777 - -NAME:C784 +156.9761 6530869 +449.7911 1379543 + +NAME:C816 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:103.59 +Num Peaks:2 +158.9616 29548837 +176.9722 1183731 + +NAME:C817 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:91.09 Num Peaks:2 -238.0996 2335806 -256.1102 1042367 - -NAME:C785 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:77.5 -Num Peaks:2 -267.0431 3978900 -226.0164 1164515 - -NAME:C786 +238.0996 2299444 +256.1102 1007727 + +NAME:C818 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:87.83 +Num Peaks:2 +90.9478 13490731 +303.884 3633853 + +NAME:C819 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:84.93 Num Peaks:2 -158.9616 34835771 -176.9722 2368106 - -NAME:C787 +158.9616 35612575 +176.9722 2304626 + +NAME:C820 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:83.24 Num Peaks:2 -149.9563 5756017 -275.8892 2780696 - -NAME:C788 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:47.41 -Num Peaks:2 -142.9483 1804749 -340.7091 65605 - -NAME:C789 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:50.67 -Num Peaks:2 -108.9832 2392551 -130.9332 615023 - -NAME:C790 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:74.29 -Num Peaks:2 -324.9942 2103819 -194.9743 66387 - -NAME:C791 +149.9563 5711812 +275.8892 2705892 + +NAME:C821 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:103.96 +Num Peaks:2 +293.0983 345015466 +315.0802 14414966 + +NAME:C822 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:89.37 +Num Peaks:2 +347.0151 8647345 +314.1582 548346 + +NAME:C823 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:94.41 +Num Peaks:2 +171.9933 2831291 +148.9773 1886975 + +NAME:C824 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:75.96 +Num Peaks:2 +277.1185 1032807 +279.1706 585411 + +NAME:C825 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:77.5 +Num Peaks:2 +267.0431 3945649 +226.0164 1125295 + +NAME:C826 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:242.51 +Num Peaks:2 +148.9773 5832566 +303.8841 4786907 + +NAME:C827 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:246.1 +Num Peaks:2 +241.8843 2472685 +354.1273 852419 + +NAME:C828 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:243.17 +Num Peaks:2 +158.9616 49517174 +372.1588 478179 + +NAME:C829 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:234.34 +Num Peaks:2 +176.0709 2276332 +131.0687 53330 + +NAME:C830 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:231.49 +Num Peaks:2 +171.9932 10494813 +176.9722 7058451 + +NAME:C831 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:227.01 +Num Peaks:2 +354.1273 546019 +372.1588 477995 + +NAME:C832 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:233.11 +Num Peaks:2 +149.9563 6767286 +156.9663 4672459 + +NAME:C833 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:225.48 +Num Peaks:2 +293.0983 51967380 +286.2016 565905 + +NAME:C834 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:197.8 +Num Peaks:2 +149.9563 6417888 +199.9882 3285009 + +NAME:C835 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:193.36 +Num Peaks:2 +158.9616 66528391 +241.8842 4487857 + +NAME:C836 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:190.58 +Num Peaks:2 +156.9663 4419396 +275.8892 3339379 + +NAME:C837 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:200.35 +Num Peaks:2 +186.9566 6980184 +286.2016 378055 + +NAME:C838 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:209.56 +Num Peaks:2 +199.9883 2502322 +156.9663 1788115 + +NAME:C839 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:261.76 +Num Peaks:2 +186.9566 11695024 +149.9563 4047732 + +NAME:C840 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:264.11 +Num Peaks:2 +293.0983 27329241 +490.818 842933 + +NAME:C841 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:273.59 +Num Peaks:2 +303.8841 9600844 +275.8892 2125662 + +NAME:C842 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:291.88 +Num Peaks:2 +303.8841 4776333 +149.9563 2871833 + +NAME:C843 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:594.44 +Num Peaks:2 +125.0712 733107 +604.4048 133888 + +NAME:C844 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:594.96 +Num Peaks:2 +458.421 727446 +603.903 225427 + +NAME:C845 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:597.39 +Num Peaks:2 +456.3383 731263 +451.383 59953 + +NAME:C846 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:599.44 +Num Peaks:2 +743.5782 1983735 +796.6224 1624289 + +NAME:C847 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:595.04 +Num Peaks:2 +604.9106 289231 +605.4126 190324 + +NAME:C848 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:596.56 Num Peaks:2 -264.6532 113281 -342.3087 36816 - -NAME:C792 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:599.91 -Num Peaks:2 -204.0879 168059 -351.2897 163208 - -NAME:C793 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:599.97 -Num Peaks:2 -832.5836 4671470 -394.2236 198079 - -NAME:C794 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:595.17 -Num Peaks:2 -591.9007 431179 -579.9011 193853 - -NAME:C795 +264.6532 117650 +342.3087 41109 + +NAME:C849 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:588.37 +Num Peaks:2 +368.389 1484367 +96.5149 956578 + +NAME:C850 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:586.6 +Num Peaks:2 +118.1228 190747997 +97.9326 1414270 + +NAME:C851 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:590.76 Num Peaks:2 -112.0181 5926926 -359.3717 857016 - -NAME:C796 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:584.28 -Num Peaks:2 -111.5221 2423576 -577.4833 356975 - -NAME:C797 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:589.14 -Num Peaks:2 -343.286 14098201 -343.7878 2545222 - -NAME:C798 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:586.6 -Num Peaks:2 -118.1228 183289342 -97.9326 1408691 - -NAME:C799 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:594.44 -Num Peaks:2 -125.0712 737045 -604.4048 131917 - -NAME:C800 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:590.18 -Num Peaks:2 -138.9956 5365134 -103.9558 1256264 - -NAME:C801 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:582.67 -Num Peaks:2 -808.5848 47176029 -113.0169 1856295 - -NAME:C802 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:581.72 -Num Peaks:2 -90.5071 6555084 -155.991 950370 - -NAME:C803 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:585.87 -Num Peaks:2 -142.9672 1074289 -310.3109 193658 - -NAME:C804 +112.0181 5840824 +359.3717 877864 + +NAME:C852 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:583.72 +Num Peaks:2 +284.2952 939463 +389.1989 62745 + +NAME:C853 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:580.16 Num Peaks:2 -108.023 3083113 -161.9955 2055916 - -NAME:C805 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:556.9 -Num Peaks:2 -385.1828 2532042 -383.1875 89961 - -NAME:C806 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.64 -Num Peaks:2 -165.9913 1033058 -151.1484 74164 - -NAME:C807 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:557.3 -Num Peaks:2 -791.5763 629332 -629.5027 172577 - -NAME:C808 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:565 -Num Peaks:2 -766.5734 6884794 -432.7645 3165983 - -NAME:C809 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.99 -Num Peaks:2 -138.9592 8779154 -451.3401 187834 - -NAME:C810 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:561.67 -Num Peaks:2 -832.5844 14903439 -340.1663 78327 - -NAME:C811 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:564.39 -Num Peaks:2 -188.0008 42650250 -584.4738 937569 - -NAME:C812 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:563.4 -Num Peaks:2 -239.2373 20069388 -496.3406 10332048 - -NAME:C813 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:561.08 -Num Peaks:2 -223.9887 22070345 -315.2534 185452 - -NAME:C814 +108.023 3076930 +161.9955 2065230 + +NAME:C854 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:589.71 +Num Peaks:2 +328.3213 1386746 +441.3153 85766 + +NAME:C855 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:586.53 +Num Peaks:2 +146.9806 8909858 +88.1122 992972 + +NAME:C856 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:581.36 +Num Peaks:2 +86.0965 1892933 +113.0169 1847737 + +NAME:C857 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:568.94 +Num Peaks:2 +472.2311 513972 +712.4831 143475 + +NAME:C858 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:569.09 +Num Peaks:2 +467.2339 5366025 +235.1325 4074750 + +NAME:C859 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:569.08 +Num Peaks:2 +582.8895 1143583 +975.1688 533440 + +NAME:C860 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:573.59 +Num Peaks:2 +124.9566 1155026 +413.3243 259035 + +NAME:C861 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:568.72 +Num Peaks:2 +454.7879 1566089 +223.126 258073 + +NAME:C862 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:572.44 Num Peaks:2 -125.0712 638024 -323.1469 58864 - -NAME:C815 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:535.41 -Num Peaks:2 -783.5722 149139830 -333.1515 8879292 - -NAME:C816 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:528.87 -Num Peaks:2 -389.2668 305699 -791.5928 167122 - -NAME:C817 +125.0712 648616 +323.1469 56486 + +NAME:C863 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:577.93 +Num Peaks:2 +521.4212 212949 +611.4114 144834 + +NAME:C864 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:561.98 +Num Peaks:2 +339.1629 1371056 +743.578 445802 + +NAME:C865 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:556.08 +Num Peaks:2 +331.2634 224264 +214.1719 89645 + +NAME:C866 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:552.56 +Num Peaks:2 +784.5817 41742491 +111.522 1798141 + +NAME:C867 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:539.9 Num Peaks:2 -576.403 142240 -311.2948 123741 - -NAME:C818 +576.403 149503 +311.2948 129857 + +NAME:C868 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:527.41 +Num Peaks:2 +433.2485 422401 +319.2923 352570 + +NAME:C869 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:527.97 +Num Peaks:2 +90.5071 2913633 +326.3785 1618458 + +NAME:C870 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:530.38 +Num Peaks:2 +146.9806 1067587 +751.5167 351002 + +NAME:C871 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:538.98 Num Peaks:2 -153.9827 2034778 -86.0966 987904 - -NAME:C819 +153.9827 2039727 +86.0966 988830 + +NAME:C872 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:535.14 +Num Peaks:2 +782.5687 480558968 +758.5685 121397222 + +NAME:C873 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:533.84 Num Peaks:2 -431.7564 3662047 -343.7877 883295 - -NAME:C820 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:534.94 -Num Peaks:2 -786.6005 40227327 -124.9566 376316 - -NAME:C821 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:536.73 -Num Peaks:2 -759.5719 30502260 -760.5852 30366292 - -NAME:C822 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:541.36 -Num Peaks:2 -596.4376 476806 -327.3091 198066 - -NAME:C823 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:538.45 -Num Peaks:2 -418.7484 125659032 -408.3324 231791 - -NAME:C824 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:554.95 -Num Peaks:2 -90.507 2722672 -464.3587 375940 - -NAME:C825 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:544.78 -Num Peaks:2 -299.2585 331884 -250.6375 62483 - -NAME:C826 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:548.58 -Num Peaks:2 -705.317 753807 -581.2434 235039 - -NAME:C827 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:544.75 -Num Peaks:2 -225.2217 301688 -388.3144 83111 - -NAME:C828 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:547.93 -Num Peaks:2 -637.3054 37485626 -394.353 432677 - -NAME:C829 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:430.15 -Num Peaks:2 -105.0337 1530686 -457.9314 125887 - -NAME:C830 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:433.2 -Num Peaks:2 -119.0741 3690410 -404.22 63176 - -NAME:C831 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:424.91 -Num Peaks:2 -135.0443 403330 -178.0584 76191 - -NAME:C832 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:437.37 -Num Peaks:2 -285.0949 377011 -233.1175 144276 - -NAME:C833 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:430.15 -Num Peaks:2 -428.1104 548539 -349.9938 394625 - -NAME:C834 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:418.58 -Num Peaks:2 -302.2152 6175057 -303.2186 963812 - -NAME:C835 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:413.76 -Num Peaks:2 -737.843 3216213 -121.1014 2712195 - -NAME:C836 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:419.93 -Num Peaks:2 -829.7597 5096818 -535.3238 178787 - -NAME:C837 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:417.03 -Num Peaks:2 -270.0623 244055 -304.2111 242926 - -NAME:C838 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:424.27 -Num Peaks:2 -194.0541 343302 -554.2809 102250 - -NAME:C839 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:429.99 -Num Peaks:2 -200.2377 1298609 -293.1752 251863 - -NAME:C840 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:461.3 -Num Peaks:2 -574.7612 370659 -541.3006 286276 - -NAME:C841 +431.7564 3636829 +343.7877 877055 + +NAME:C874 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:533.1 +Num Peaks:2 +703.5744 26555403 +452.3589 267484 + +NAME:C875 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:538.12 +Num Peaks:2 +570.458 2310840 +432.258 1818404 + +NAME:C876 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:460.49 +Num Peaks:2 +807.5723 3702588 +291.6362 3198868 + +NAME:C877 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:474.35 +Num Peaks:2 +1267.3051 5811517 +261.2218 561769 + +NAME:C878 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:472.52 +Num Peaks:2 +500.3523 4566064 +772.9661 2811414 + +NAME:C879 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:473.92 +Num Peaks:2 +296.6484 44176464 +1267.8056 2781000 + +NAME:C880 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:465.73 +Num Peaks:2 +1015.6729 11688407 +535.3004 5324555 + +NAME:C881 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:465.36 +Num Peaks:2 +535.8023 2233800 +1004.6758 223779 + +NAME:C882 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:468.74 +Num Peaks:2 +548.309 10859536 +314.241 4720824 + +NAME:C883 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:465.57 +Num Peaks:2 +809.5884 5323023 +255.2323 692757 + +NAME:C884 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:467.86 +Num Peaks:2 +999.6409 773171 +1187.2601 357670 + +NAME:C885 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:465.41 +Num Peaks:2 +1031.1345 3659307 +473.9652 146036 + +NAME:C886 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:463.25 Num Peaks:2 -219.1958 1130118 -430.8887 184822 - -NAME:C842 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:468.63 -Num Peaks:2 -185.077 1812456 -456.2999 1499359 - -NAME:C843 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:472.16 -Num Peaks:2 -993.6785 142772543 -994.6813 33331408 - -NAME:C844 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:468.74 -Num Peaks:2 -548.309 10915984 -314.241 4748018 - -NAME:C845 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:450.31 -Num Peaks:2 -373.2741 575145 -126.7691 150795 - -NAME:C846 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:454.82 -Num Peaks:2 -1057.6097 388049 -1058.6127 275789 - -NAME:C847 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:456.23 -Num Peaks:2 -1064.6774 36192166 -127.3526 401035 - -NAME:C848 +219.1958 1122293 +430.8887 190071 + +NAME:C887 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:456.74 Num Peaks:2 -335.2195 10022138 -1086.6578 914654 - -NAME:C849 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:453.18 -Num Peaks:2 -583.3 218380 -388.252 189417 - -NAME:C850 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:453.58 -Num Peaks:2 -1026.6608 573998 -532.2132 227708 - -NAME:C851 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:456.16 -Num Peaks:2 -819.9679 2916277 -830.9655 1308439 - -NAME:C852 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:457.24 -Num Peaks:2 -808.469 1702027 -820.4691 1059210 - -NAME:C853 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:438.68 -Num Peaks:2 -195.1383 1516067 -281.1388 966928 - -NAME:C854 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:435.53 -Num Peaks:2 -597.3043 2376251 -242.6643 98362 - -NAME:C855 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:437.78 -Num Peaks:2 -495.2689 690504 -558.2047 413354 - -NAME:C856 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:442.08 -Num Peaks:2 -431.1917 338596 -265.1188 96024 - -NAME:C857 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:439.04 -Num Peaks:2 -299.626 130761 -443.9005 128175 - -NAME:C858 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:444.86 -Num Peaks:2 -624.3226 168764 -377.167 57546 - -NAME:C859 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:449.41 -Num Peaks:2 -199.1696 620589 -312.1598 572750 - -NAME:C860 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:443.56 -Num Peaks:2 -452.2778 8248352 -277.2893 66661 - -NAME:C861 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:452.93 -Num Peaks:2 -303.6474 288630 -337.105 252450 - -NAME:C862 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:449.57 -Num Peaks:2 -111.117 579705 -382.3167 104996 - -NAME:C863 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:446.09 -Num Peaks:2 -324.5881 289571 -633.139 72629 - -NAME:C864 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:441.45 -Num Peaks:2 -251.1647 489428 -275.201 165755 - -NAME:C865 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.66 -Num Peaks:2 -562.4009 2141558 -630.4784 58023 - -NAME:C866 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:515.83 -Num Peaks:2 -344.2798 191786 -331.1358 86350 - -NAME:C867 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:514.59 -Num Peaks:2 -703.5745 105245049 -556.4422 3782225 - -NAME:C868 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:498.71 -Num Peaks:2 -495.3899 5180095 -425.1474 192175 - -NAME:C869 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:493.73 -Num Peaks:2 -646.5007 772964 -369.2638 179652 - -NAME:C870 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:493.02 -Num Peaks:2 -671.4945 1210010 -459.2807 393580 - -NAME:C871 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:500.14 -Num Peaks:2 -531.2964 952448 -206.0897 125428 - -NAME:C872 +335.2195 10122022 +1086.6578 903254 + +NAME:C888 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:456.38 +Num Peaks:2 +133.0328 1897847 +127.3526 391972 + +NAME:C889 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:450.19 +Num Peaks:2 +809.5885 3553014 +794.4587 166640 + +NAME:C890 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:447.63 +Num Peaks:2 +237.2217 890877 +117.07 223748 + +NAME:C891 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:452.86 +Num Peaks:2 +505.2533 326416 +525.2792 142577 + +NAME:C892 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:456.93 +Num Peaks:2 +1066.1317 1879507 +1092.1368 1419401 + +NAME:C893 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:454.37 +Num Peaks:2 +1037.6577 2391951 +1112.6762 1099395 + +NAME:C894 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:456.04 +Num Peaks:2 +1080.1362 3968763 +544.578 742099 + +NAME:C895 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:452.5 +Num Peaks:2 +291.1209 1787676 +546.216 209596 + +NAME:C896 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:441.8 +Num Peaks:2 +540.3074 2577679 +566.3246 262589 + +NAME:C897 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:433.2 +Num Peaks:2 +119.0741 3685720 +404.22 59460 + +NAME:C898 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:438.04 +Num Peaks:2 +250.2171 426962 +530.3125 109192 + +NAME:C899 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:440.49 +Num Peaks:2 +431.1917 332368 +596.2444 82189 + +NAME:C900 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:440.16 +Num Peaks:2 +541.3106 609359 +520.2769 394255 + +NAME:C901 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:434.43 +Num Peaks:2 +241.8843 323470 +645.304 69304 + +NAME:C902 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:441.06 +Num Peaks:2 +310.2356 363763 +241.1778 203767 + +NAME:C903 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:438.79 +Num Peaks:2 +235.0695 797630 +210.1937 377659 + +NAME:C904 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:443.52 +Num Peaks:2 +382.272 2017881 +129.1276 77284 + +NAME:C905 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:443.26 +Num Peaks:2 +183.0808 2679550 +332.2424 82218 + +NAME:C906 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:450.72 +Num Peaks:2 +355.2635 515226 +357.2656 251100 + +NAME:C907 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:447.26 +Num Peaks:2 +243.2112 167576 +518.2322 145740 + +NAME:C908 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:450.31 +Num Peaks:2 +373.2741 579505 +126.7691 151295 + +NAME:C909 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:448.09 +Num Peaks:2 +786.6008 9731213 +534.2556 1487200 + +NAME:C910 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:430.87 +Num Peaks:2 +287.2044 305308 +182.5593 137486 + +NAME:C911 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:428.84 +Num Peaks:2 +288.2901 1173980 +421.2202 87662 + +NAME:C912 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:423.5 +Num Peaks:2 +172.1699 731161 +375.2897 689065 + +NAME:C913 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:420.17 +Num Peaks:2 +366.2641 333148 +455.2291 81779 + +NAME:C914 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:426.48 +Num Peaks:2 +494.8125 11210328 +303.8841 4297177 + +NAME:C915 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:518.28 Num Peaks:2 -86.0966 5506053 -256.0036 3007734 - -NAME:C873 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:521.41 -Num Peaks:2 -440.772 2698911 -220.1168 528836 - -NAME:C874 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:519.36 -Num Peaks:2 -385.8631 2145770 -344.0195 965691 - -NAME:C875 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:525.42 -Num Peaks:2 -302.657 2359768 -375.6879 310240 - -NAME:C876 +86.0966 5522962 +256.0036 2991127 + +NAME:C916 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:521.46 +Num Peaks:2 +285.2428 566525 +902.6145 172674 + +NAME:C917 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:524.9 +Num Peaks:2 +302.657 2363500 +640.9327 1072550 + +NAME:C918 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:522.29 +Num Peaks:2 +680.4291 22439536 +681.4327 8761309 + +NAME:C919 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:523.24 Num Peaks:2 -682.9464 3134965 -669.4362 2957003 - -NAME:C877 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:518.28 -Num Peaks:2 -668.9318 2006924 -839.9711 168290 - -NAME:C878 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:504.88 -Num Peaks:2 -363.3109 2416353 -151.0968 427285 - -NAME:C879 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:507.53 -Num Peaks:2 -808.5851 38436465 -233.1904 126365 - -NAME:C880 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:509.02 -Num Peaks:2 -431.7564 10410357 -322.2956 308757 - -NAME:C881 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:473.92 -Num Peaks:2 -296.6484 43936220 -1267.8056 2751737 - -NAME:C882 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:465.73 -Num Peaks:2 -1015.6729 11738347 -535.3004 5266643 - -NAME:C883 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:465.47 -Num Peaks:2 -783.9676 697092 -989.6567 139074 - -NAME:C884 +682.9464 3130708 +669.4362 2981973 + +NAME:C920 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:499.51 +Num Peaks:2 +512.4166 37048772 +557.8243 410820 + +NAME:C921 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:502.86 +Num Peaks:2 +407.3371 2881032 +239.1493 2303844 + +NAME:C922 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:499.28 +Num Peaks:2 +275.1583 387452 +487.3249 317406 + +NAME:C923 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:509.89 +Num Peaks:2 +431.7564 10037792 +348.2902 71923 + +NAME:C924 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:506.36 +Num Peaks:2 +341.3053 887202 +339.1579 232023 + +NAME:C925 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:502.73 +Num Peaks:2 +249.0424 115923 +417.1595 106990 + +NAME:C926 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:505.66 +Num Peaks:2 +784.5827 56755899 +401.3459 6809118 + +NAME:C927 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:508.61 +Num Peaks:2 +483.3282 9731131 +90.507 1802984 + +NAME:C928 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:505.78 +Num Peaks:2 +226.1594 288153 +284.2035 270602 + +NAME:C929 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:502.91 +Num Peaks:2 +424.3637 17513394 +429.3191 13258732 + +NAME:C930 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:510.83 +Num Peaks:2 +426.3583 69728197 +644.4943 2160933 + +NAME:C931 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:491.92 +Num Peaks:2 +785.589 12246417 +574.8165 216992 + +NAME:C932 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:490.7 +Num Peaks:2 +379.1578 332302 +308.2953 229180 + +NAME:C933 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:474.08 Num Peaks:2 -287.1415 5780297 -316.66 4623448 - -NAME:C885 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:487.4 -Num Peaks:2 -776.5728 957176 -269.2091 836673 - -NAME:C886 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:483.95 -Num Peaks:2 -417.3368 1611851 -418.3403 383847 - -NAME:C887 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:496.26 -Num Peaks:2 -766.5306 649582 -595.1629 363090 - -NAME:C888 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:493.26 -Num Peaks:2 -644.4945 11172243 -225.0914 663930 - -NAME:C889 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:487.82 -Num Peaks:2 -105.0337 569579 -366.1396 463913 - -NAME:C890 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:491.12 -Num Peaks:2 -694.4787 448190 -916.6244 88697 - -NAME:C891 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:482 -Num Peaks:2 -289.6432 5069714 -945.6891 226243 - -NAME:C892 +287.1415 5805566 +316.66 4606399 + +NAME:C934 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:483.68 Num Peaks:2 -758.5685 44370505 -313.6492 717414 - -NAME:C893 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:480.32 -Num Peaks:2 -1019.6949 18395152 -550.4747 1884446 - -NAME:C894 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:477.53 -Num Peaks:2 -472.2229 293197 -1011.6191 285029 - -NAME:C895 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:476.85 -Num Peaks:2 -462.2987 1068336 -341.3052 220787 - -NAME:C896 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:345.49 -Num Peaks:2 -588.6471 90241 -882.4649 32147 - -NAME:C897 +758.5685 46751646 +313.6492 694867 + +NAME:C935 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:500.23 +Num Peaks:2 +495.3899 5176688 +321.1425 677958 + +NAME:C936 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:500.87 +Num Peaks:2 +444.3689 640615 +226.0979 412749 + +NAME:C937 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:481.68 +Num Peaks:2 +111.0204 18502580 +1066.6888 1047201 + +NAME:C938 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:490.35 +Num Peaks:2 +234.6244 1763757 +475.287 313946 + +NAME:C939 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:492.94 +Num Peaks:2 +689.5233 2144080 +650.4534 847879 + +NAME:C940 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:490.02 +Num Peaks:2 +732.5463 2915871 +733.5503 1020195 + +NAME:C941 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:493.1 +Num Peaks:2 +313.1438 9521548 +627.4677 2033696 + +NAME:C942 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:486.18 +Num Peaks:2 +1031.7046 1468085 +291.2535 304682 + +NAME:C943 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:412.39 +Num Peaks:2 +453.7857 1635266 +325.2854 175130 + +NAME:C944 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:414.06 +Num Peaks:2 +303.8841 2533110 +297.6467 59074 + +NAME:C945 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:408.18 +Num Peaks:2 +468.3326 71819 +292.0473 60042 + +NAME:C946 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:402.84 +Num Peaks:2 +538.3515 809830 +350.2024 130391 + +NAME:C947 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:409.42 +Num Peaks:2 +231.0999 1755612 +364.2487 86946 + +NAME:C948 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:398.56 +Num Peaks:2 +496.3406 902090 +529.3493 41995 + +NAME:C949 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:418.72 +Num Peaks:2 +829.7597 5092506 +304.2111 239126 + +NAME:C950 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:406.08 +Num Peaks:2 +223.0969 2330637 +273.1349 270940 + +NAME:C951 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:403.56 +Num Peaks:2 +240.2326 915213 +319.0825 122919 + +NAME:C952 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:412.64 +Num Peaks:2 +277.1414 869210 +387.2939 508833 + +NAME:C953 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:389.18 +Num Peaks:2 +299.2373 1180428 +307.2636 125074 + +NAME:C954 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:389.03 +Num Peaks:2 +159.0331 217882 +609.2287 151141 + +NAME:C955 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:377.91 +Num Peaks:2 +356.2436 410151 +376.187 68060 + +NAME:C956 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:384.25 +Num Peaks:2 +393.1909 372911 +720.2729 71896 + +NAME:C957 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:391.37 +Num Peaks:2 +275.8893 1372029 +231.1595 40180 + +NAME:C958 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:396.09 +Num Peaks:2 +451.3636 131381 +327.1418 53738 + +NAME:C959 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:392.49 +Num Peaks:2 +285.2581 1217527 +357.2251 413220 + +NAME:C960 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:399.58 +Num Peaks:2 +295.2271 13658411 +164.1155 45587 + +NAME:C961 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:388.62 +Num Peaks:2 +275.0394 587856 +300.2407 120568 + +NAME:C962 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:372.21 +Num Peaks:2 +494.1666 57043 +576.2191 52650 + +NAME:C963 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:388.83 +Num Peaks:2 +494.8126 1374168 +281.2268 247747 + +NAME:C964 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:381.43 +Num Peaks:2 +264.1361 1313015 +265.1397 815272 + +NAME:C965 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:382.74 +Num Peaks:2 +359.2626 883571 +342.1737 57932 + +NAME:C966 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:368.52 +Num Peaks:2 +269.1904 297671 +413.1372 104800 + +NAME:C967 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:367.86 +Num Peaks:2 +546.1733 1029248 +530.2007 440973 + +NAME:C968 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:368.48 +Num Peaks:2 +523.1569 297437 +478.2993 99379 + +NAME:C969 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:373.02 +Num Peaks:2 +584.198 59669 +536.1969 54845 + +NAME:C970 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:349.11 Num Peaks:2 -312.2173 925428 -308.1859 108717 - -NAME:C898 +312.2173 944775 +308.1859 129655 + +NAME:C971 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:354 +Num Peaks:2 +591.3184 998742 +301.2207 82973 + +NAME:C972 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:346.84 +Num Peaks:2 +241.8843 1508223 +117.0701 1314872 + +NAME:C973 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:351.31 +Num Peaks:2 +255.2112 1548941 +273.2218 1123140 + +NAME:C974 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:351.38 +Num Peaks:2 +176.0709 180601 +525.2704 34598 + +NAME:C975 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:354.52 +Num Peaks:2 +130.0654 3877405 +131.0688 293302 + +NAME:C976 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:352.38 +Num Peaks:2 +363.217 6893650 +507.1619 646962 + +NAME:C977 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:353.66 +Num Peaks:2 +551.1887 96808 +379.1942 83103 + +NAME:C978 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:327.45 +Num Peaks:2 +139.9882 1738446 +241.8843 1510283 + +NAME:C979 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:317.42 +Num Peaks:2 +679.856 1241015 +680.3574 605768 + +NAME:C980 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:323.03 +Num Peaks:2 +149.9563 2357719 +373.159 2082307 + +NAME:C981 +IONMODE:Negative +SPECTRUMTYPE:Centroid +RETENTIONTIME:332.94 +Num Peaks:2 +303.8841 5999658 +275.8893 997120 + +NAME:C982 IONMODE:Negative SPECTRUMTYPE:Centroid RETENTIONTIME:323.32 Num Peaks:2 -490.818 1755800 -698.7852 146276 - -NAME:C899 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:340.24 -Num Peaks:2 -186.9566 9088590 -278.1754 48689 - -NAME:C900 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:332.94 -Num Peaks:2 -303.8841 5989544 -275.8893 980487 - -NAME:C901 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:359.89 -Num Peaks:2 -310.2017 12082927 -526.2656 30686 - -NAME:C902 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:367.86 -Num Peaks:2 -546.1733 1008775 -530.2007 434261 - -NAME:C903 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:368.21 -Num Peaks:2 -253.1955 2599797 -221.0812 68617 - -NAME:C904 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:368.48 -Num Peaks:2 -507.1463 546059 -503.151 322235 - -NAME:C905 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:362.83 -Num Peaks:2 -303.8841 4211988 -384.2959 320087 - -NAME:C906 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:368.61 -Num Peaks:2 -271.2061 10517576 -313.2207 1016955 - -NAME:C907 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:358.32 -Num Peaks:2 -300.2173 1144573 -200.2013 257376 - -NAME:C908 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:353.74 -Num Peaks:2 -364.2203 1233728 -592.3219 275009 - -NAME:C909 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:346.84 -Num Peaks:2 -241.8843 1516293 -117.0701 1369995 - -NAME:C910 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:317.42 -Num Peaks:2 -679.856 1248364 -680.3574 616714 - -NAME:C911 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:323.03 -Num Peaks:2 -149.9563 2415980 -373.159 2162050 - -NAME:C912 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:327.45 -Num Peaks:2 -139.9882 1762888 -241.8843 1520703 - -NAME:C913 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:389.54 -Num Peaks:2 -490.818 1227730 -275.1874 107064 - -NAME:C914 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:387.12 -Num Peaks:2 -141.0913 716142 -257.1664 268803 - -NAME:C915 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:389.04 -Num Peaks:2 -163.0756 3266628 -300.2407 116839 - -NAME:C916 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:372.31 -Num Peaks:2 -466.1276 535318 -284.2458 445867 - -NAME:C917 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:376.16 -Num Peaks:2 -494.8125 1624052 -285.2581 408043 - -NAME:C918 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:375.07 -Num Peaks:2 -282.9108 1509467 -403.321 175994 - -NAME:C919 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:372.64 -Num Peaks:2 -253.0976 2752671 -535.1935 558326 - -NAME:C920 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:378.15 -Num Peaks:2 -376.187 80026 -457.2916 44959 - -NAME:C921 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:384.97 -Num Peaks:2 -351.2377 84299 -382.2592 63782 - -NAME:C922 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:382.01 -Num Peaks:2 -255.2112 2623406 -342.1737 51293 - -NAME:C923 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:380.77 -Num Peaks:2 -247.1333 782460 -360.0898 83304 - -NAME:C924 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:391.37 -Num Peaks:2 -275.8893 1374393 -231.1595 45385 - -NAME:C925 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:388.83 -Num Peaks:2 -494.8126 1378128 -281.2268 251187 - -NAME:C926 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:403.88 -Num Peaks:2 -240.2326 912540 -270.2432 59873 - -NAME:C927 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:405.16 -Num Peaks:2 -236.2377 335918 -365.1705 94732 - -NAME:C928 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:405.59 -Num Peaks:2 -158.1543 14432294 -254.2483 240394 - -NAME:C929 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:405.12 -Num Peaks:2 -273.1349 246131 -369.2041 66038 - -NAME:C930 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:420.81 -Num Peaks:2 -366.2641 338849 -229.1803 53773 - -NAME:C931 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:420.04 -Num Peaks:2 -414.3331 124761 -455.2291 74434 - -NAME:C932 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:415.45 -Num Peaks:2 -526.2658 111387 -407.3008 97465 - -NAME:C933 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:389.56 -Num Peaks:2 -262.1136 902163 -279.2048 174974 - -NAME:C934 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:397.27 -Num Peaks:2 -139.9882 14598109 -451.3636 130810 - -NAME:C935 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:306.2 -Num Peaks:2 -303.8841 9644530 -490.818 144394 - -NAME:C936 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:291.88 -Num Peaks:2 -303.8841 4770525 -149.9563 2871279 - -NAME:C937 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:273.59 -Num Peaks:2 -303.8841 9507576 -275.8892 2233507 - -NAME:C938 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:264.11 -Num Peaks:2 -293.0983 29627006 -490.818 831879 - -NAME:C939 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:261.76 -Num Peaks:2 -186.9566 11812445 -149.9563 4049777 - -NAME:C940 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:242.51 -Num Peaks:2 -148.9773 5819004 -303.8841 4733851 - -NAME:C941 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:246.1 -Num Peaks:2 -241.8843 2476354 -354.1273 898357 - -NAME:C942 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:243.17 -Num Peaks:2 -158.9616 47753531 -372.1588 496137 - -NAME:C943 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:227.01 -Num Peaks:2 -354.1273 577096 -372.1588 506473 - -NAME:C944 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:231.49 -Num Peaks:2 -171.9932 10387198 -176.9722 7012941 - -NAME:C945 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:233.11 -Num Peaks:2 -149.9563 6680326 -156.9663 4658486 - -NAME:C946 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:197.8 -Num Peaks:2 -149.9563 6365632 -199.9882 3301364 - -NAME:C947 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:190.19 -Num Peaks:2 -303.884 6200176 -171.9932 5842204 - -NAME:C948 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:201.67 -Num Peaks:2 -293.0983 68432527 -186.9566 7116605 - -NAME:C949 -IONMODE:Negative -SPECTRUMTYPE:Centroid -RETENTIONTIME:209.56 -Num Peaks:2 -199.9883 2497500 -156.9663 1804531 - +490.818 1767794 +698.7852 167338 +
--- a/test-data/test2_spec_abundance_xcms_2.tsv Thu May 30 14:52:18 2024 +0000 +++ b/test-data/test2_spec_abundance_xcms_2.tsv Thu Jun 19 07:59:13 2025 +0000 @@ -1,6 +1,6 @@ - C001 C002 C003 C004 C005 C006 C007 C008 C009 C010 C011 C012 C013 C014 C015 C016 C017 C018 C019 C020 C021 C022 C023 C024 C025 C026 C027 C028 C029 C030 C031 C032 C033 C034 C035 C036 C037 C038 C039 C040 C041 C042 C043 C044 C045 C046 C047 C048 C049 C050 C051 C052 C053 C054 C055 C056 C057 C058 C059 C060 C061 C062 C063 C064 C065 C066 C067 C068 C069 C070 C071 C072 C073 C074 C075 C076 C077 C078 C079 C080 C081 C082 C083 C084 C085 C086 C087 C088 C089 C090 C091 C092 C093 C094 C095 C096 C097 C098 C099 C100 C101 C102 C103 C104 C105 C106 C107 C108 C109 C110 C111 C112 C113 C114 C115 C116 C117 C118 C119 C120 C121 C122 C123 C124 C125 C126 C127 C128 C129 C130 C131 C132 C133 C134 C135 C136 C137 C138 C139 C140 C141 C142 C143 C144 C145 C146 C147 C148 C149 C150 C151 C152 C153 C154 C155 C156 C157 C158 C159 C160 C161 C162 C163 C164 C165 C166 C167 C168 C169 C170 C171 C172 C173 C174 C175 C176 C177 C178 C179 C180 C181 C182 C183 C184 C185 C186 C187 C188 C189 C190 C191 C192 C193 C194 C195 C196 C197 C198 C199 C200 C201 C202 C203 C204 C205 C206 C207 C208 C209 C210 C211 C212 C213 C214 C215 C216 C217 C218 C219 C220 C221 C222 C223 C224 C225 C226 C227 C228 C229 C230 C231 C232 C233 C234 C235 C236 C237 C238 C239 C240 C241 C242 C243 C244 C245 C246 C247 C248 C249 C250 C251 C252 C253 C254 C255 C256 C257 C258 C259 C260 C261 C262 C263 C264 C265 C266 C267 C268 C269 C270 C271 C272 C273 C274 C275 C276 C277 C278 C279 C280 C281 C282 C283 C284 C285 C286 C287 C288 C289 C290 C291 C292 C293 C294 C295 C296 C297 C298 C299 C300 C301 C302 C303 C304 C305 C306 C307 C308 C309 C310 C311 C312 C313 C314 C315 C316 C317 C318 C319 C320 C321 C322 C323 C324 C325 C326 C327 C328 C329 C330 C331 C332 C333 C334 C335 C336 C337 C338 C339 C340 C341 C342 C343 C344 C345 C346 C347 C348 C349 C350 C351 C352 C353 C354 C355 C356 C357 C358 C359 C360 C361 C362 C363 C364 C365 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