Mercurial > repos > iracooke > omssa
diff test-data/mr176-BSA100fmole_BA3_01_8168.d.mgf @ 7:51f6c6446e69 draft
Docker support and update for protk 1.4
| author | iracooke |
|---|---|
| date | Thu, 26 Mar 2015 20:04:12 -0400 |
| parents | |
| children |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/mr176-BSA100fmole_BA3_01_8168.d.mgf Thu Mar 26 20:04:12 2015 -0400 @@ -0,0 +1,26248 @@ +BEGIN IONS +TITLE=Cmpd 1, +MSn(722.3522), 33.5 min +PEPMASS=722.35225000000003 +CHARGE=2+ +198.13402 12.0 +204.14855 50.0 +215.14924 16.0 +216.14697 52.0 +226.09713 12.0 +230.07293 101.0 +232.14589 13.0 +234.15667 228.0 +243.12353 30.0 +244.1095 25.0 +246.13836 23.0 +248.08086 40.0 +249.17284 2164.0 +257.11062 19.0 +258.06895 17.0 +259.05306 18.0 +268.14012 15.0 +274.13079 64.0 +276.07752 164.0 +277.16652 291.0 +282.08022 14.0 +284.17195 15.0 +285.17172 14.0 +286.15293 14.0 +294.19124 16.0 +302.17391 17.0 +303.18008 66.0 +312.16842 24.0 +313.16574 12.0 +321.19043 828.0 +327.1396 22.0 +328.12684 14.0 +341.12552 30.0 +345.14196 24.0 +346.16906 13.0 +358.14899 71.0 +362.12886 18.0 +372.11454 34.0 +373.0946 33.0 +389.16458 44.0 +390.12438 168.0 +407.14623 83.0 +409.19069 21.0 +414.21115 10.0 +416.26685 16.0 +419.1978 11.0 +424.16828 21.0 +429.21492 28.0 +429.71536 23.0 +430.21559 11.0 +434.27836 288.0 +437.19863 99.0 +439.13754 22.0 +440.22757 14.0 +441.18674 106.0 +455.18042 13.0 +456.15487 62.0 +458.21514 22.0 +459.20016 132.0 +466.12712 17.0 +468.21555 13.0 +469.2084 11.0 +473.1741 156.0 +483.14863 85.0 +486.23109 17.0 +487.21872 18.0 +488.20588 13.0 +490.20234 23.0 +491.23573 14.0 +492.21665 12.0 +493.20755 17.0 +494.20818 14.0 +495.19555 12.0 +497.21011 11.0 +499.29571 11.0 +500.17686 39.0 +501.17166 258.0 +506.23986 14.0 +508.17616 21.0 +509.24327 27.0 +510.23002 22.0 +511.21965 23.0 +512.19927 16.0 +513.21464 19.0 +517.31891 90.0 +518.18452 477.0 +525.19998 15.0 +526.27164 21.0 +527.26561 35.0 +528.23309 78.0 +532.23058 11.0 +535.32741 1062.0 +538.22783 46.0 +539.19608 185.0 +544.25868 14.0 +545.26719 32.0 +546.24068 12.0 +547.20604 11.0 +549.73113 14.0 +552.2174 111.0 +554.2682 126.0 +556.21752 319.0 +558.74119 23.0 +561.20855 12.0 +566.25546 14.0 +566.74566 201.0 +567.21921 139.0 +572.28476 29.0 +573.26536 15.0 +574.24477 422.0 +575.76165 391.0 +581.16419 29.0 +582.1683 19.0 +583.24166 15.0 +584.27206 498.0 +587.23148 28.0 +588.22616 21.0 +589.24193 16.0 +591.2074 11.0 +593.25158 14.0 +596.29215 19.0 +597.27339 18.0 +598.18383 53.0 +599.18156 159.0 +604.26411 10.0 +605.22517 19.0 +606.2653 27.0 +607.26052 18.0 +608.23992 20.0 +609.22449 18.0 +614.29653 22.0 +615.21983 51.0 +616.19397 267.0 +620.23859 12.0 +621.26069 31.0 +623.27726 20.0 +624.28547 39.0 +625.26075 70.0 +631.26682 40.0 +632.338 84.0 +633.21899 427.0 +634.78269 18.0 +638.2697 14.0 +640.81632 26.0 +641.29225 168.0 +641.81616 13.0 +648.26695 13.0 +649.26939 23.0 +650.35835 872.0 +653.27023 34.0 +654.22226 23.0 +655.23635 17.0 +656.21204 16.0 +657.25017 13.0 +659.32326 33.0 +660.32953 28.0 +664.20498 24.0 +665.20075 21.0 +666.28091 35.0 +667.27597 28.0 +669.30729 69.0 +670.26391 181.0 +675.24368 18.0 +676.26472 11.0 +680.27926 13.0 +681.23861 27.0 +682.21897 124.0 +687.30996 52.0 +689.25434 29.0 +690.25937 36.0 +691.28431 12.0 +694.28468 12.0 +698.25175 41.0 +699.23493 377.0 +706.27474 20.0 +711.31425 21.0 +712.30304 13.0 +713.83883 11.0 +715.29202 15.0 +716.251 596.0 +721.31597 17.0 +723.269 10.0 +728.3168 15.0 +729.28876 17.0 +732.29861 13.0 +734.27022 328.0 +739.30854 18.0 +740.30788 11.0 +743.39178 27.0 +744.38354 13.0 +746.32113 18.0 +750.27993 16.0 +756.33408 16.0 +757.33764 22.0 +758.29589 22.0 +760.40304 41.0 +761.39958 258.0 +766.30849 13.0 +767.30315 27.0 +768.2704 24.0 +769.28782 12.0 +774.35116 13.0 +775.33319 12.0 +776.3144 17.0 +777.30699 34.0 +778.42305 395.0 +783.34192 11.0 +784.31576 123.0 +788.38486 18.0 +794.32786 25.0 +795.31756 25.0 +796.30243 14.0 +801.35597 29.0 +802.33459 98.0 +811.33069 19.0 +812.32047 148.0 +819.36828 35.0 +820.35588 21.0 +821.33914 19.0 +829.34639 106.0 +830.33709 187.0 +847.36306 138.0 +857.42757 26.0 +858.4176 28.0 +872.35943 13.0 +873.33147 12.0 +874.46002 30.0 +875.44423 131.0 +881.36032 11.0 +892.47057 665.0 +898.36261 12.0 +899.35735 22.0 +900.35113 15.0 +916.38949 24.0 +917.3777 34.0 +918.37069 14.0 +934.39336 23.0 +935.39897 16.0 +936.3935 12.0 +972.46907 13.0 +973.4597 18.0 +974.4341 12.0 +989.49608 19.0 +990.47436 95.0 +1003.43367 11.0 +1007.50417 584.0 +1018.47487 27.0 +1019.47457 24.0 +1131.5034 18.0 +1132.49579 16.0 +1149.53985 32.0 +1150.51603 145.0 +1167.53685 833.0 +1280.62643 19.0 +END IONS +BEGIN IONS +TITLE=Cmpd 2, +MSn(417.2289), 33.6 min +PEPMASS=417.22890999999998 +CHARGE=3+ +196.12066 18.0 +199.11456 14.0 +201.13412 488.0 +203.10374 11.0 +204.08812 11.0 +206.13417 9.0 +209.10365 50.0 +210.08935 9.0 +215.11547 12.0 +216.15205 33.0 +217.01718 9.0 +221.11514 80.0 +224.12614 19.0 +225.10241 19.0 +225.65502 10.0 +226.12665 109.0 +229.13456 41.0 +231.16588 47.0 +235.65045 15.0 +236.10541 11.0 +237.80927 10.0 +238.52024 11.0 +238.64283 37.0 +240.66633 12.0 +241.09099 20.0 +242.34834 10.0 +243.10437 28.0 +244.14256 107.0 +249.10798 130.0 +251.1593 18.0 +253.16697 13.0 +254.12886 19.0 +257.15603 118.0 +259.14688 40.0 +261.08686 10.0 +261.16568 18.0 +262.90832 11.0 +267.12189 212.0 +267.27554 11.0 +267.67373 32.0 +271.15166 33.0 +271.65647 49.0 +273.14283 10.0 +274.14693 11.0 +276.17475 66.0 +277.08529 33.0 +279.12231 17.0 +280.6551 34.0 +281.01911 10.0 +284.08692 10.0 +284.15451 10.0 +284.24089 17.0 +285.14643 219.0 +288.13081 9.0 +288.6343 11.0 +291.87275 11.0 +294.1912 232.0 +295.10484 12.0 +298.12438 15.0 +300.15883 11.0 +301.15081 15.0 +301.89347 9.0 +302.1435 14.0 +303.17955 32.0 +303.59954 11.0 +305.97948 13.0 +310.78195 13.0 +311.20378 10.0 +313.12958 13.0 +314.45175 14.0 +316.12868 35.0 +318.22875 11.0 +318.66403 18.0 +323.19271 12.0 +325.1763 9.0 +327.18357 30.0 +327.66745 44.0 +328.06213 11.0 +329.23512 34.0 +330.07222 13.0 +333.19025 19.0 +334.15354 9.0 +336.17693 65.0 +339.21406 17.0 +341.12549 9.0 +341.67601 10.0 +343.17358 18.0 +344.3687 10.0 +345.24946 10.0 +346.18325 21.0 +347.70051 10.0 +350.1657 10.0 +357.23483 19.0 +359.92349 11.0 +362.15532 10.0 +362.86797 14.0 +363.10989 14.0 +369.21864 12.0 +371.16591 10.0 +371.23424 10.0 +374.20145 43.0 +378.16109 33.0 +378.55656 10.0 +381.20165 9.0 +382.17461 14.0 +382.4341 10.0 +383.19277 12.0 +385.22422 47.0 +387.69807 39.0 +390.22222 19.0 +391.2131 69.0 +395.36269 10.0 +396.19166 78.0 +400.16832 14.0 +402.14172 15.0 +403.24026 9.0 +404.7141 55.0 +405.20483 69.0 +408.17011 39.0 +413.24031 17.0 +414.227 16.0 +415.2221 11.0 +417.17818 10.0 +417.26942 23.0 +417.71434 11.0 +418.30575 10.0 +421.74198 12.0 +423.85821 12.0 +425.19556 138.0 +426.72029 13.0 +429.21961 13.0 +430.23845 28.0 +431.26075 150.0 +435.18404 20.0 +436.1268 10.0 +441.24918 10.0 +443.22496 13.0 +445.24855 12.0 +446.14687 10.0 +447.61677 12.0 +448.24845 15.0 +450.20357 11.0 +453.18933 313.0 +454.42664 10.0 +455.27251 11.0 +455.83064 13.0 +457.19771 15.0 +458.19588 32.0 +460.22101 10.0 +463.11784 10.0 +467.20455 10.0 +472.60072 10.0 +473.2121 13.0 +474.75412 32.0 +475.39627 12.0 +476.29822 13.0 +478.74891 31.0 +480.25774 15.0 +481.26069 14.0 +487.75232 23.0 +489.76239 10.0 +497.24219 34.0 +498.26983 9.0 +498.38608 10.0 +504.29436 13.0 +507.21954 17.0 +509.20672 10.0 +511.91538 11.0 +514.27061 12.0 +515.24899 45.0 +515.33823 22.0 +521.28238 14.0 +525.24867 28.0 +526.24436 42.0 +528.24555 9.0 +532.23168 10.0 +533.3052 23.0 +537.28225 11.0 +538.28087 51.0 +540.27884 12.0 +542.30346 48.0 +542.79158 14.0 +543.28171 77.0 +548.25875 27.0 +551.79565 37.0 +553.28674 19.0 +553.64256 13.0 +553.91555 12.0 +554.25342 44.0 +555.24655 56.0 +556.8542 10.0 +560.30293 221.0 +566.27656 53.0 +571.28913 10.0 +572.26807 160.0 +576.27041 30.0 +582.26216 47.0 +598.9015 21.0 +599.39335 16.0 +600.26549 180.0 +614.43057 18.0 +618.27944 67.0 +635.31875 10.0 +636.30445 32.0 +642.38385 11.0 +645.27577 11.0 +646.40232 11.0 +653.31679 138.0 +662.37039 9.0 +663.28808 18.0 +664.32517 9.0 +667.36074 9.0 +671.33728 14.0 +672.36425 37.0 +678.32178 11.0 +681.31133 112.0 +686.37087 14.0 +686.48316 9.0 +689.35728 54.0 +695.34497 15.0 +710.36404 10.0 +711.35065 22.0 +713.34916 23.0 +715.35401 14.0 +728.36303 101.0 +733.37494 10.0 +736.38507 11.0 +738.36438 9.0 +742.16331 12.0 +746.37457 590.0 +748.0832 12.0 +749.48822 9.0 +756.3574 17.0 +766.23642 9.0 +781.4199 22.0 +791.41602 18.0 +800.36682 23.0 +809.41545 39.0 +812.34721 11.0 +828.38435 10.0 +833.25283 9.0 +841.45576 15.0 +846.3841 15.0 +859.46962 98.0 +869.45952 17.0 +869.68603 9.0 +941.09087 21.0 +956.48415 10.0 +974.50069 44.0 +END IONS +BEGIN IONS +TITLE=Cmpd 3, +MSn(700.3586), 34.1 min +PEPMASS=700.35855000000004 +CHARGE=2+ +201.13006 15.0 +202.12076 11.0 +203.11938 21.0 +208.13291 18.0 +209.117 180.0 +211.16596 11.0 +212.09383 13.0 +213.09791 34.0 +219.09925 11.0 +229.12707 13.0 +231.11203 13.0 +234.14594 20.0 +240.14178 13.0 +244.08364 10.0 +252.15735 13.0 +258.15029 39.0 +262.15746 12.0 +270.17791 9.0 +274.20597 14.0 +276.1641 82.0 +279.13227 11.0 +284.88714 9.0 +286.1563 13.0 +295.16221 25.0 +296.14551 76.0 +297.25579 9.0 +300.17681 9.0 +301.01504 10.0 +306.13374 98.0 +313.21288 10.0 +314.15501 37.0 +324.14137 179.0 +327.2048 10.0 +330.23587 13.0 +332.14254 9.0 +332.66232 9.0 +333.18699 11.0 +343.2042 9.0 +347.18519 21.0 +351.7025 13.0 +352.21388 9.0 +357.16665 20.0 +366.50342 9.0 +367.23674 9.0 +375.19341 11.0 +376.62694 13.0 +377.22405 117.0 +380.22873 10.0 +389.16754 23.0 +396.38919 9.0 +398.25458 13.0 +399.20527 18.0 +400.19706 11.0 +407.14465 9.0 +409.22974 99.0 +416.0957 9.0 +416.54013 18.0 +421.222 18.0 +425.18532 18.0 +428.76144 10.0 +429.19592 11.0 +435.86563 10.0 +437.23224 113.0 +441.17419 12.0 +443.20044 99.0 +448.18337 9.0 +452.07819 12.0 +452.30415 15.0 +454.22357 13.0 +456.24125 9.0 +456.88566 15.0 +458.20738 10.0 +458.81341 9.0 +459.21618 10.0 +460.24503 15.0 +460.36239 9.0 +460.72269 12.0 +461.22332 30.0 +466.27038 10.0 +467.24403 9.0 +470.25082 16.0 +470.77519 10.0 +471.26952 12.0 +472.2047 23.0 +474.23335 67.0 +475.41545 11.0 +477.12623 10.0 +479.55911 12.0 +484.21546 22.0 +488.18304 10.0 +490.20945 67.0 +492.2409 134.0 +495.42717 10.0 +498.26677 10.0 +499.27227 10.0 +501.77528 9.0 +501.97215 8.0 +502.26943 13.0 +506.2623 33.0 +510.28139 54.0 +512.45499 9.0 +515.2407 14.0 +524.05438 15.0 +527.25556 15.0 +528.58163 10.0 +529.27787 13.0 +531.25444 10.0 +533.24574 16.0 +535.26614 11.0 +538.27966 22.0 +538.75071 10.0 +539.66971 14.0 +539.7988 10.0 +543.25185 71.0 +545.5857 11.0 +546.04517 8.0 +550.65556 8.0 +553.28656 38.0 +556.29792 25.0 +561.25161 22.0 +562.34293 14.0 +562.78356 15.0 +567.79964 9.0 +569.26924 46.0 +571.11773 11.0 +571.29596 218.0 +574.29563 9.0 +576.27525 11.0 +579.20728 16.0 +579.37712 9.0 +583.25566 10.0 +585.28409 13.0 +586.07027 13.0 +587.27576 38.0 +587.40944 11.0 +589.30571 1291.0 +591.46797 13.0 +595.2856 11.0 +597.26652 136.0 +602.27353 13.0 +603.31302 11.0 +605.07409 9.0 +607.31722 25.0 +608.3064 9.0 +611.33227 11.0 +612.47831 9.0 +613.77708 17.0 +615.31886 12.0 +626.28923 27.0 +635.16149 11.0 +637.28494 12.0 +640.05101 9.0 +644.33641 14.0 +646.31849 15.0 +647.85609 9.0 +648.86014 11.0 +650.83431 10.0 +652.30832 12.0 +653.3076 13.0 +654.28962 27.0 +654.85515 14.0 +656.34602 13.0 +660.29679 11.0 +667.73581 10.0 +670.3256 14.0 +671.3117 23.0 +671.45911 9.0 +674.32039 23.0 +676.87077 10.0 +677.35639 8.0 +679.35087 27.0 +680.31053 166.0 +684.36214 19.0 +691.34507 60.0 +691.85476 20.0 +692.87394 9.0 +698.32271 221.0 +699.51516 10.0 +700.3622 425.0 +701.05663 25.0 +702.38629 160.0 +703.56417 22.0 +720.37896 14.0 +721.39398 10.0 +739.38387 18.0 +748.37969 10.0 +749.36501 15.0 +750.37691 9.0 +750.77612 13.0 +757.54993 9.0 +763.38341 16.0 +765.39232 42.0 +766.4085 9.0 +768.40217 10.0 +776.37981 9.0 +783.41187 154.0 +783.59866 12.0 +793.39901 177.0 +800.05584 10.0 +803.45662 48.0 +811.40426 275.0 +812.58877 10.0 +814.41737 8.0 +841.6579 21.0 +871.47562 10.0 +873.4774 9.0 +878.28674 11.0 +884.38188 11.0 +908.43389 9.0 +949.39558 12.0 +961.52404 10.0 +963.48845 117.0 +995.52083 13.0 +1006.52982 9.0 +1023.49923 28.0 +1076.58117 16.0 +1108.55117 9.0 +1112.99774 14.0 +1124.53483 12.0 +1136.19588 16.0 +1173.60078 12.0 +1191.61497 37.0 +1191.94795 9.0 +1192.60299 21.0 +1254.59811 17.0 +1262.6245 27.0 +1263.64429 18.0 +END IONS +BEGIN IONS +TITLE=Cmpd 4, +MSn(461.7654), 34.4 min +PEPMASS=461.76537000000002 +CHARGE=2+ +195.12534 27.0 +196.11978 22.0 +199.11872 21.0 +200.92593 7.0 +201.12588 918.0 +201.52065 11.0 +204.13608 66.0 +204.55543 6.0 +209.10585 7.0 +211.1294 337.0 +212.92067 7.0 +214.94538 6.0 +216.16586 8.0 +218.91192 7.0 +219.16177 1963.0 +219.47532 12.0 +219.57156 7.0 +219.6467 10.0 +219.88815 6.0 +219.98065 6.0 +220.5092 5.0 +222.14986 6.0 +222.34409 6.0 +223.01635 6.0 +228.14794 12.0 +229.13615 1623.0 +229.49145 7.0 +230.33517 5.0 +230.82993 6.0 +235.17831 6.0 +237.15889 7.0 +239.11929 14.0 +240.14953 24.0 +241.12818 7.0 +245.14591 11.0 +246.16497 14.0 +246.91743 7.0 +247.1559 1284.0 +247.45629 12.0 +247.5313 6.0 +247.68689 6.0 +247.88997 6.0 +247.97703 11.0 +248.1664 2030.0 +248.40994 10.0 +248.48979 6.0 +248.77639 9.0 +248.8775 8.0 +249.67296 6.0 +249.84703 7.0 +250.72965 7.0 +255.14965 13.0 +256.16408 9.0 +257.14747 26.0 +258.15572 40.0 +259.12085 116.0 +260.12858 10.0 +265.17409 7.0 +265.93691 7.0 +266.16097 26.0 +267.12604 9.0 +269.13346 11.0 +273.20773 14.0 +274.01601 6.0 +275.16892 12.0 +276.15557 9.0 +277.132 310.0 +282.17405 10.0 +283.18345 11.0 +284.17222 18.0 +285.15329 25.0 +286.14849 16.0 +287.12038 22.0 +288.18821 22.0 +294.15723 84.0 +295.65905 5.0 +300.19985 28.0 +301.19959 23.0 +302.08467 6.0 +302.18777 10.0 +302.88984 6.0 +303.1897 27.0 +304.15012 10.0 +305.12282 8.0 +305.36536 6.0 +308.63947 10.0 +309.13592 8.0 +310.19469 21.0 +311.20405 24.0 +311.99484 6.0 +312.16757 292.0 +312.61967 7.0 +314.64124 7.0 +317.22241 5.0 +319.52762 8.0 +323.21745 6.0 +323.85869 7.0 +324.15268 9.0 +328.21219 250.0 +328.96201 8.0 +329.92219 6.0 +330.02909 7.0 +330.18406 250.0 +332.19501 9.0 +333.08238 6.0 +336.10653 6.0 +338.20535 9.0 +339.22032 7.0 +340.17529 17.0 +341.16291 13.0 +342.15329 8.0 +342.85492 5.0 +343.17257 8.0 +347.23552 523.0 +350.24184 6.0 +356.20709 7.0 +357.22291 19.0 +358.18774 245.0 +364.21048 6.0 +365.25414 5.0 +368.22581 5.0 +369.2166 8.0 +369.5094 5.0 +370.21401 6.0 +371.13525 7.0 +375.21332 6.0 +376.01587 7.0 +376.20165 907.0 +376.67151 7.0 +376.79391 11.0 +379.20323 9.0 +383.24323 8.0 +384.21141 9.0 +385.22826 9.0 +386.18808 15.0 +386.72315 5.0 +387.20074 9.0 +388.18632 7.0 +393.23423 14.0 +394.21348 7.0 +395.22544 8.0 +399.17151 6.0 +401.24124 9.0 +402.23169 7.0 +403.20877 6.0 +404.20146 10.0 +405.20936 10.0 +408.76402 7.0 +409.24316 9.0 +411.2344 12.0 +412.22201 10.0 +413.16874 9.0 +414.23234 10.0 +415.2405 9.0 +419.23805 6.0 +422.09019 12.0 +422.26954 18.0 +423.24711 9.0 +424.2491 6.0 +429.24419 117.0 +433.22088 8.0 +433.86651 7.0 +439.22854 6.0 +440.26207 91.0 +442.10711 6.0 +442.24843 9.0 +443.22832 11.0 +444.25467 6.0 +447.26237 79.0 +456.2606 8.0 +457.25597 23.0 +457.65754 9.0 +458.27716 600.0 +466.9345 6.0 +468.2671 9.0 +472.00459 8.0 +475.27458 84.0 +475.64869 7.0 +476.02361 6.0 +476.28699 880.0 +476.58864 6.0 +476.94811 6.0 +479.29183 8.0 +486.2668 16.0 +487.23567 61.0 +489.22171 7.0 +492.24481 6.0 +503.31526 6.0 +504.3118 6.0 +505.24624 100.0 +513.26824 12.0 +515.23418 19.0 +516.23501 9.0 +521.32294 7.0 +531.29308 14.0 +539.33936 20.0 +540.32921 18.0 +541.26238 17.0 +542.27328 6.0 +543.86096 8.0 +548.73564 6.0 +557.0957 6.0 +557.34943 50.0 +559.30527 9.0 +568.06509 11.0 +575.36055 506.0 +580.37662 8.0 +585.33707 22.0 +586.33212 6.0 +587.31572 7.0 +589.30891 13.0 +590.29179 8.0 +600.26133 6.0 +604.33645 15.0 +615.32689 10.0 +675.1724 9.0 +687.39351 6.0 +704.432 23.0 +722.43739 214.0 +758.19467 8.0 +758.4254 10.0 +833.48312 7.0 +851.47965 7.0 +852.49314 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 5, +MSn(751.8406), 35.6 min +PEPMASS=751.84056999999996 +CHARGE=2+ +197.13991 10.0 +201.10011 27.0 +202.10041 45.0 +206.08804 8.0 +210.13518 9.0 +213.12163 11.0 +215.15259 47.0 +218.16745 14.0 +219.11226 9.0 +219.16734 11.0 +220.11369 23.0 +221.10087 8.0 +230.49155 9.0 +240.17575 26.0 +241.09861 9.0 +241.20544 9.0 +243.14801 24.0 +247.11847 322.0 +248.37373 12.0 +259.10262 18.0 +265.13091 615.0 +275.11442 245.0 +280.08663 9.0 +284.14375 40.0 +285.1533 8.0 +293.1252 252.0 +301.10954 9.0 +302.14616 13.0 +312.1066 9.0 +321.07732 9.0 +321.17357 18.0 +326.18726 20.0 +331.17618 8.0 +333.14418 10.0 +334.11826 8.0 +339.16934 9.0 +339.3761 18.0 +341.1139 10.0 +344.19983 12.0 +347.10053 14.0 +351.22378 13.0 +354.20811 8.0 +360.19728 11.0 +361.19326 9.0 +364.17231 32.0 +368.15627 11.0 +369.22982 15.0 +370.23032 9.0 +371.22271 12.0 +372.17713 9.0 +373.19451 8.0 +376.17113 36.0 +378.19488 119.0 +381.21506 9.0 +386.159 12.0 +392.10426 15.0 +394.17409 9.0 +398.65295 10.0 +401.1425 10.0 +403.17576 11.0 +404.1661 218.0 +413.17947 8.0 +415.23207 9.0 +415.8347 16.0 +422.1748 71.0 +426.05745 10.0 +433.12776 10.0 +435.92071 9.0 +437.1971 20.0 +440.84015 10.0 +447.21089 16.0 +448.22453 10.0 +450.13338 14.0 +452.02483 8.0 +453.47104 8.0 +454.69107 11.0 +455.21005 41.0 +456.20665 8.0 +456.71118 8.0 +457.20374 12.0 +460.19051 11.0 +465.22405 15.0 +465.73716 8.0 +465.90751 12.0 +467.192 9.0 +468.19888 17.0 +468.94884 9.0 +469.22035 8.0 +470.16291 35.0 +473.24807 32.0 +474.24937 8.0 +475.20316 112.0 +478.19233 14.0 +479.19096 13.0 +483.22661 8.0 +484.26343 16.0 +485.19207 8.0 +487.22715 16.0 +488.15259 11.0 +489.25764 11.0 +490.2535 14.0 +491.36978 9.0 +492.20736 8.0 +493.21393 32.0 +495.20068 9.0 +496.07863 11.0 +497.24182 24.0 +498.27803 8.0 +498.87011 21.0 +499.73989 10.0 +502.95225 10.0 +503.13188 12.0 +504.20428 25.0 +505.73923 12.0 +508.25772 32.0 +512.23715 23.0 +518.26779 8.0 +519.63128 10.0 +520.21284 19.0 +521.19382 47.0 +522.3448 8.0 +523.20879 8.0 +523.29005 10.0 +523.74638 16.0 +526.2725 48.0 +530.26057 14.0 +531.23472 29.0 +532.24834 94.0 +532.73641 33.0 +534.26115 8.0 +535.30697 10.0 +535.66863 9.0 +536.73388 10.0 +538.05281 12.0 +538.23053 616.0 +538.80487 9.0 +539.35618 8.0 +539.56996 9.0 +541.62431 8.0 +543.27388 10.0 +544.27367 53.0 +545.69276 8.0 +546.7497 9.0 +548.25957 31.0 +549.24607 62.0 +555.30007 8.0 +557.26214 16.0 +558.23725 341.0 +565.20773 24.0 +566.25706 34.0 +575.26413 8.0 +576.25811 206.0 +579.20143 9.0 +587.27417 9.0 +587.77244 14.0 +588.24766 10.0 +589.26511 10.0 +594.2589 34.0 +596.77148 9.0 +597.35354 9.0 +597.7702 12.0 +602.26108 12.0 +604.2724 25.0 +605.76038 8.0 +606.77862 11.0 +611.25092 11.0 +614.19513 9.0 +615.25865 12.0 +617.34491 12.0 +618.30162 30.0 +621.27512 13.0 +623.52759 10.0 +624.2303 13.0 +631.94463 10.0 +634.25786 17.0 +637.29482 23.0 +643.32692 71.0 +646.32912 8.0 +649.2631 110.0 +651.40466 13.0 +652.2888 17.0 +654.30393 12.0 +655.3264 8.0 +662.3391 12.0 +663.33147 28.0 +667.09297 19.0 +667.28046 643.0 +672.31249 32.0 +677.33378 9.0 +683.33384 10.0 +684.26055 8.0 +685.20788 10.0 +687.30644 20.0 +688.2576 9.0 +689.33509 52.0 +704.32494 19.0 +705.31787 16.0 +706.32936 43.0 +717.30604 20.0 +724.55064 10.0 +724.82313 8.0 +734.34235 9.0 +745.31788 9.0 +760.29613 13.0 +764.31842 12.0 +773.33527 14.0 +774.36127 9.0 +775.33817 9.0 +778.31653 144.0 +796.32901 720.0 +797.63245 12.0 +798.56181 9.0 +801.37136 10.0 +819.41701 9.0 +837.36752 8.0 +852.41519 9.0 +864.35368 9.0 +908.40199 9.0 +909.41717 541.0 +911.60951 9.0 +913.42116 8.0 +929.43023 13.0 +950.39155 9.0 +992.44616 10.0 +1000.54351 12.0 +1006.88411 8.0 +1010.46755 378.0 +1033.73921 13.0 +1063.4952 21.0 +1081.50864 233.0 +1192.54279 20.0 +1193.54279 17.0 +1194.54396 9.0 +1210.55317 97.0 +1213.7148 14.0 +1296.83127 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 6, +MSn(583.9149), 36.0 min +PEPMASS=583.91483000000005 +CHARGE=3+ +199.18952 12.0 +203.0754 10.0 +204.0913 29.0 +212.10486 10.0 +213.09525 9.0 +215.07862 9.0 +215.14846 27.0 +220.96889 11.0 +232.08767 24.0 +243.14368 47.0 +244.09081 81.0 +255.06342 10.0 +262.10367 20.0 +265.13296 13.0 +271.11392 10.0 +272.0842 88.0 +273.12382 36.0 +278.13794 13.0 +286.15691 11.0 +289.16952 13.0 +290.15954 526.0 +294.08933 34.0 +298.10339 38.0 +302.10907 12.0 +309.63271 26.0 +310.12944 87.0 +314.13341 23.0 +318.63599 153.0 +330.15508 9.0 +335.13788 13.0 +343.11853 23.0 +344.13677 12.0 +347.11755 23.0 +348.11594 15.0 +348.61131 12.0 +350.15616 10.0 +357.12271 11.0 +357.64445 15.0 +358.15577 37.0 +358.27756 9.0 +362.11278 10.0 +365.16423 12.0 +370.13772 11.0 +371.12431 191.0 +378.66771 9.0 +380.12959 108.0 +383.18199 9.0 +383.65821 12.0 +387.17212 13.0 +388.17024 32.0 +404.15696 9.0 +404.67227 28.0 +405.19009 299.0 +413.66863 142.0 +417.25984 9.0 +422.67431 425.0 +425.14734 9.0 +426.25724 18.0 +427.66964 16.0 +428.16071 16.0 +430.21852 9.0 +432.11249 16.0 +435.65 14.0 +436.67273 224.0 +439.70562 50.0 +442.17589 11.0 +446.69768 9.0 +448.11133 10.0 +450.14297 10.0 +452.15241 14.0 +453.13621 17.0 +454.17172 12.0 +456.70555 64.0 +458.15193 46.0 +459.17877 122.0 +460.53855 12.0 +461.69858 27.0 +467.18915 9.0 +470.17886 204.0 +470.70465 130.0 +476.2277 769.0 +476.6487 13.0 +478.67896 9.0 +479.21765 451.0 +484.20836 54.0 +486.23157 11.0 +487.19255 34.0 +488.17747 11.0 +488.28495 14.0 +490.22357 10.0 +493.21716 71.0 +494.8445 9.0 +495.55171 11.0 +496.17574 33.0 +499.55373 9.0 +500.23093 12.0 +500.6344 9.0 +501.20393 15.0 +501.69979 12.0 +502.19533 16.0 +504.16208 9.0 +505.28151 10.0 +507.25082 13.0 +507.7041 10.0 +508.31181 19.0 +517.23809 9.0 +518.2084 17.0 +520.21173 17.0 +526.22517 15.0 +532.18448 10.0 +535.22869 17.0 +536.30303 27.0 +537.26623 10.0 +538.24082 12.0 +540.237 16.0 +541.18008 138.0 +543.72828 12.0 +545.2481 76.0 +548.22132 11.0 +553.20776 10.0 +555.2609 40.0 +557.25608 11.0 +557.74124 24.0 +558.25025 26.0 +559.19816 32.0 +560.21688 21.0 +566.25239 11.0 +567.54403 9.0 +569.17963 158.0 +572.2647 11.0 +573.28043 10.0 +576.25065 10.0 +579.23279 18.0 +583.25083 115.0 +587.19552 138.0 +588.36489 18.0 +590.28541 13.0 +592.26135 11.0 +593.24947 10.0 +594.25015 10.0 +599.19956 12.0 +600.25399 14.0 +601.22839 19.0 +602.2374 19.0 +603.21863 11.0 +605.76204 13.0 +613.18636 12.0 +617.51237 9.0 +618.25376 53.0 +619.24081 228.0 +624.25729 14.0 +626.20645 121.0 +630.19752 138.0 +633.18575 9.0 +634.24038 10.0 +635.58362 10.0 +636.26471 2542.0 +636.89861 11.0 +637.92946 12.0 +640.6451 10.0 +641.26355 9.0 +643.23475 17.0 +644.22031 85.0 +647.31827 9.0 +650.22546 26.0 +650.81469 11.0 +651.30711 18.0 +651.8384 10.0 +655.25372 9.0 +656.29314 22.0 +661.21983 14.0 +662.25258 15.0 +665.3709 18.0 +669.25274 22.0 +670.24506 11.0 +674.29721 78.0 +687.2561 32.0 +689.1631 9.0 +696.33441 24.0 +697.33132 15.0 +698.29063 9.0 +712.29002 19.0 +713.2923 25.0 +715.29753 28.0 +719.32273 13.0 +722.32772 14.0 +723.29859 15.0 +724.21802 20.0 +725.24452 12.0 +726.25941 15.0 +729.28858 12.0 +730.28339 21.0 +732.33255 9.0 +741.24133 1393.0 +747.30182 680.0 +748.03462 13.0 +759.25191 921.0 +759.87533 9.0 +764.3115 12.0 +765.31335 2033.0 +771.30484 13.0 +773.89882 9.0 +775.3 20.0 +776.29899 15.0 +781.33705 18.0 +802.33058 12.0 +802.8349 10.0 +809.33144 10.0 +810.30796 15.0 +811.34469 9.0 +819.36604 13.0 +825.38856 15.0 +826.32998 256.0 +836.30631 17.0 +837.31167 11.0 +838.32534 9.0 +842.38545 21.0 +843.38888 13.0 +844.34135 238.0 +854.32983 730.0 +861.39639 13.0 +872.33818 1090.0 +876.77472 10.0 +878.40396 225.0 +889.36607 13.0 +939.41698 28.0 +949.4015 11.0 +957.42802 55.0 +967.40945 130.0 +969.99674 10.0 +985.42705 218.0 +992.49953 9.0 +1001.37799 10.0 +1002.38552 11.0 +1096.45467 24.0 +1097.47287 13.0 +1114.47649 34.0 +1115.49026 23.0 +1116.48032 9.0 +1151.34825 10.0 +1473.44983 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 7, +MSn(581.2454), 36.9 min +PEPMASS=581.24534000000006 +CHARGE=2+ +244.08387 80.0 +244.17472 46.0 +252.11011 76.0 +272.08797 49.0 +273.13614 49.0 +290.15955 395.0 +298.11269 109.0 +309.63094 177.0 +343.11054 59.0 +395.21614 38.0 +405.20451 74.0 +414.16463 85.0 +422.67809 95.0 +453.12665 79.0 +459.19956 62.0 +462.13771 47.0 +470.15958 263.0 +476.21782 81.0 +478.18086 42.0 +510.21531 46.0 +540.18908 135.0 +559.1945 77.0 +569.19361 54.0 +618.26279 59.0 +626.21698 63.0 +630.20007 79.0 +632.19855 105.0 +636.26481 355.0 +644.21025 51.0 +741.24015 632.0 +747.29724 152.0 +759.2479 297.0 +765.31818 185.0 +844.3459 63.0 +854.33331 85.0 +872.33967 101.0 +888.26365 34.0 +973.4838 30.0 +1067.91249 29.0 +1396.2455 5.0 +1721.51105 6.0 +1758.10059 5.0 +END IONS +BEGIN IONS +TITLE=Cmpd 8, +MSn(554.2827), 37.0 min +PEPMASS=554.28267000000005 +CHARGE=2+ +198.90428 8.0 +200.11017 203.0 +204.0925 33.0 +208.08134 10.0 +209.14169 28.0 +214.16677 9.0 +215.06231 69.0 +217.11034 33.0 +218.10042 15.0 +219.12619 265.0 +226.16543 469.0 +228.06591 8.0 +229.13466 43.0 +230.13731 15.0 +231.12034 18.0 +232.09301 64.0 +234.09839 16.0 +235.10207 121.0 +238.13625 10.0 +241.12697 7.0 +242.16073 11.0 +243.11735 11.0 +244.17751 1055.0 +246.08215 10.0 +250.12673 12.0 +251.12124 10.0 +252.10986 165.0 +254.15849 8.0 +255.13276 11.0 +256.11693 9.0 +258.11765 13.0 +260.08412 15.0 +262.11439 45.0 +263.09667 225.0 +265.17033 43.0 +266.14351 48.0 +267.13858 8.0 +268.13483 13.0 +270.12419 34.0 +271.12968 8.0 +272.13069 11.0 +273.17165 37.0 +274.17436 11.0 +275.15611 14.0 +276.14721 12.0 +280.1237 817.0 +283.18 160.0 +286.15333 77.0 +288.14635 53.0 +289.12332 8.0 +290.10139 29.0 +290.19324 11.0 +291.09943 24.0 +295.14064 12.0 +296.13566 7.0 +297.12341 16.0 +298.11261 13.0 +299.18639 10.0 +300.17222 45.0 +300.92024 9.0 +301.20044 2506.0 +303.50829 7.0 +306.14483 9.0 +308.11998 366.0 +311.18667 21.0 +312.16737 16.0 +314.15297 24.0 +315.12963 234.0 +318.19489 94.0 +320.19515 7.0 +322.13831 10.0 +325.17462 10.0 +326.09922 16.0 +330.00523 8.0 +333.13394 25.0 +334.14725 44.0 +335.14297 17.0 +336.1394 9.0 +337.25417 7.0 +337.84887 7.0 +339.18463 8.0 +343.12092 1026.0 +343.73052 7.0 +347.11922 7.0 +348.17182 14.0 +349.19663 11.0 +352.1561 9.0 +355.19353 12.0 +357.1903 30.0 +358.19283 8.0 +359.18633 18.0 +361.13633 188.0 +367.20906 21.0 +369.1506 8.0 +371.18775 39.0 +372.19987 8.0 +374.21017 10.0 +374.71941 15.0 +376.19899 8.0 +377.19876 10.0 +378.18544 13.0 +379.15963 723.0 +383.16145 7.0 +384.22429 8.0 +385.19086 17.0 +387.1748 11.0 +389.19274 10.0 +392.15189 9.0 +394.2217 40.0 +395.21039 11.0 +399.18277 99.0 +402.22695 7.0 +403.21103 7.0 +405.19432 34.0 +412.2351 862.0 +413.71834 7.0 +416.22521 8.0 +417.19427 16.0 +419.243 22.0 +422.21559 19.0 +423.21453 11.0 +428.16565 8.0 +429.22111 15.0 +430.24474 1237.0 +430.59225 8.0 +436.19439 8.0 +436.73552 9.0 +437.18064 9.0 +440.2359 44.0 +441.24599 14.0 +445.2289 160.0 +447.2379 28.0 +448.24182 7.0 +449.26844 9.0 +450.23043 71.0 +454.23812 85.0 +458.21391 10.0 +459.2402 20.0 +459.6809 9.0 +460.21681 12.0 +461.21201 14.0 +462.20226 90.0 +463.06006 7.0 +464.2001 9.0 +470.20621 16.0 +471.23748 10.0 +472.21332 11.0 +473.26103 10.0 +474.21315 10.0 +475.26046 13.0 +476.26353 38.0 +477.2608 14.0 +478.23299 90.0 +480.21841 8.0 +482.25714 7.0 +485.27094 8.0 +486.26003 12.0 +490.19547 210.0 +493.29354 104.0 +495.28438 9.0 +497.19986 9.0 +502.2401 13.0 +504.25775 80.0 +508.21258 30.0 +509.23253 15.0 +511.30678 75.0 +514.2401 13.0 +516.26019 12.0 +517.23023 10.0 +518.09741 10.0 +520.23808 10.0 +521.28766 32.0 +526.3007 7.0 +529.31799 1808.0 +532.31095 10.0 +534.217 13.0 +535.26067 11.0 +536.23012 8.0 +538.23552 7.0 +539.29999 34.0 +540.30892 18.0 +541.18684 9.0 +544.2312 8.0 +546.30298 8.0 +547.21983 13.0 +547.31529 9.0 +548.22099 13.0 +549.27521 16.0 +550.27053 7.0 +556.30381 7.0 +560.20701 7.0 +561.23774 34.0 +562.24387 25.0 +563.25786 10.0 +564.33196 12.0 +565.31315 82.0 +573.31594 9.0 +579.26654 12.0 +580.25518 8.0 +582.34604 130.0 +589.26539 16.0 +598.34257 13.0 +599.32634 8.0 +599.48219 7.0 +599.78399 10.0 +600.35856 3513.0 +600.83352 11.0 +601.0595 15.0 +601.73423 7.0 +603.02473 7.0 +604.34275 7.0 +607.28393 15.0 +608.26824 10.0 +610.34225 39.0 +611.3524 16.0 +619.30272 9.0 +636.27457 15.0 +646.27953 19.0 +658.86559 7.0 +664.30098 24.0 +694.78854 8.0 +729.42151 84.0 +745.40292 9.0 +747.43398 1953.0 +751.42635 8.0 +757.41802 14.0 +759.25767 8.0 +781.7389 7.0 +816.46083 9.0 +862.43975 8.0 +889.45053 70.0 +892.45402 8.0 +900.30365 8.0 +907.46897 359.0 +976.35785 11.0 +978.51096 27.0 +979.51169 11.0 +1021.80399 7.0 +END IONS +BEGIN IONS +TITLE=Cmpd 9, +MSn(874.3926), 38.1 min +PEPMASS=874.39259000000004 +CHARGE=2+ +219.7696 9.0 +225.12774 53.0 +233.10382 74.0 +244.14407 33.0 +245.10878 10.0 +247.15453 10.0 +248.16244 30.0 +249.11015 11.0 +250.12604 37.0 +251.10571 9.0 +253.14879 14.0 +254.14409 30.0 +261.10598 40.0 +262.15156 98.0 +271.14895 102.0 +272.56782 10.0 +272.86949 11.0 +273.09555 17.0 +276.14518 71.0 +278.12553 229.0 +281.39857 9.0 +281.84737 15.0 +289.10691 17.0 +290.12833 21.0 +297.27725 11.0 +304.18716 18.0 +311.14859 16.0 +317.13393 64.0 +321.08054 19.0 +322.22467 11.0 +327.73223 14.0 +331.23589 16.0 +335.14827 594.0 +336.4564 11.0 +347.28234 16.0 +358.35128 11.0 +368.17209 11.0 +371.18534 44.0 +373.18669 34.0 +374.24272 18.0 +375.19548 13.0 +388.21572 69.0 +389.19826 179.0 +389.64784 12.0 +391.04291 17.0 +391.19467 72.0 +392.88389 10.0 +401.18324 16.0 +405.19784 12.0 +406.22229 247.0 +416.20741 21.0 +417.19949 115.0 +417.63907 23.0 +421.1828 11.0 +423.54661 19.0 +434.21731 108.0 +441.17942 10.0 +449.13562 38.0 +453.14921 10.0 +459.86793 17.0 +460.20831 15.0 +461.20977 10.0 +462.23803 243.0 +462.72634 76.0 +463.1125 15.0 +469.16331 40.0 +472.04821 9.0 +473.22996 14.0 +474.22588 16.0 +475.14963 13.0 +482.21688 47.0 +482.69165 9.0 +489.19042 37.0 +491.24194 22.0 +494.20687 23.0 +496.3908 12.0 +500.23702 110.0 +500.42383 13.0 +503.1742 12.0 +513.27015 10.0 +513.6663 12.0 +518.27225 10.0 +519.23818 29.0 +520.19549 59.0 +529.23727 10.0 +532.17998 9.0 +534.41496 10.0 +536.26526 178.0 +536.48443 14.0 +544.26008 52.0 +545.50169 10.0 +546.35962 15.0 +548.22732 10.0 +553.2918 103.0 +553.53751 10.0 +558.23242 28.0 +560.13237 9.0 +561.15788 27.0 +561.29549 39.0 +561.74408 13.0 +563.04134 24.0 +563.26874 63.0 +563.80481 13.0 +566.22494 13.0 +567.24919 26.0 +572.29791 34.0 +573.26429 143.0 +573.54615 13.0 +574.8385 11.0 +575.73739 41.0 +578.18949 10.0 +581.27368 131.0 +587.20154 14.0 +588.79533 10.0 +589.40493 10.0 +590.29364 198.0 +598.31798 22.0 +601.2333 13.0 +602.67996 11.0 +603.37858 19.0 +604.2231 16.0 +605.27622 10.0 +606.17159 12.0 +606.72758 13.0 +608.37922 17.0 +608.68279 11.0 +610.29005 10.0 +612.39083 10.0 +615.03415 10.0 +616.7247 9.0 +625.75718 14.0 +627.44219 15.0 +630.31845 14.0 +631.23163 41.0 +634.73041 11.0 +636.25434 17.0 +636.87925 15.0 +638.72323 10.0 +640.27009 112.0 +640.63437 9.0 +640.95466 12.0 +647.30415 53.0 +648.29716 9.0 +648.77697 15.0 +648.9286 14.0 +649.26345 154.0 +655.31928 9.0 +655.66397 10.0 +657.28006 23.0 +657.78606 181.0 +658.41728 21.0 +658.66158 22.0 +660.27751 45.0 +662.18525 9.0 +664.85783 11.0 +665.31062 10.0 +672.37086 14.0 +675.2936 41.0 +681.38247 19.0 +688.77895 10.0 +689.24001 16.0 +690.22375 10.0 +691.35497 15.0 +692.31973 50.0 +693.65172 11.0 +694.33956 10.0 +698.28815 9.0 +698.82014 16.0 +706.26992 12.0 +707.8099 18.0 +708.52276 11.0 +709.36482 75.0 +709.79094 11.0 +715.43106 9.0 +716.30923 11.0 +718.30775 11.0 +719.31447 22.0 +722.30295 10.0 +723.32458 10.0 +726.30734 23.0 +727.34767 42.0 +728.86076 11.0 +732.31904 57.0 +735.83144 12.0 +737.34142 12.0 +742.27263 56.0 +744.92936 10.0 +746.28066 11.0 +750.3401 263.0 +757.95174 11.0 +759.23603 15.0 +762.30817 10.0 +763.29582 32.0 +775.33454 28.0 +778.30169 12.0 +785.35648 13.0 +785.84926 12.0 +792.83528 55.0 +802.54747 10.0 +804.34949 10.0 +806.72591 11.0 +807.31349 11.0 +811.42556 25.0 +816.81454 11.0 +820.38039 18.0 +822.38425 15.0 +823.96896 11.0 +838.39937 41.0 +848.34287 10.0 +853.31648 32.0 +856.2605 9.0 +861.30844 15.0 +863.38008 10.0 +865.69054 10.0 +865.89458 72.0 +868.36604 12.0 +872.34113 9.0 +874.38462 9.0 +874.86907 74.0 +877.3144 13.0 +889.30878 22.0 +892.50861 10.0 +893.36115 42.0 +895.0279 21.0 +906.3399 28.0 +910.37504 433.0 +911.15339 9.0 +924.44541 36.0 +941.65134 20.0 +946.42696 11.0 +947.50408 21.0 +952.04189 12.0 +953.41394 11.0 +972.26672 11.0 +981.58364 10.0 +1004.37476 12.0 +1021.38925 76.0 +1023.60377 11.0 +1039.42728 397.0 +1050.85168 10.0 +1053.40018 12.0 +1068.48845 10.0 +1125.54854 10.0 +1132.39586 25.0 +1150.46497 98.0 +1151.69638 11.0 +1153.27321 10.0 +1167.48158 188.0 +1286.89846 10.0 +1297.55005 12.0 +1314.56484 261.0 +1471.62117 9.0 +1533.86262 12.0 +1556.40361 11.0 +1786.54691 14.0 +END IONS +BEGIN IONS +TITLE=Cmpd 10, +MSn(583.2620), 38.5 min +PEPMASS=583.26199999999994 +CHARGE=3+ +200.11222 18.0 +201.09549 33.0 +203.61636 15.0 +204.09738 22.0 +206.08462 12.0 +208.11147 20.0 +209.10531 32.0 +212.11595 16.0 +213.05968 16.0 +216.08155 13.0 +219.15605 14.0 +226.13091 112.0 +227.08285 29.0 +228.13956 15.0 +230.08949 16.0 +231.12912 14.0 +231.62533 13.0 +233.10365 188.0 +240.11177 50.0 +241.09465 150.0 +243.15204 59.0 +244.11018 43.0 +245.12644 63.0 +247.14473 39.0 +250.12256 164.0 +250.64512 12.0 +256.10735 14.0 +258.12109 64.0 +259.12455 97.0 +261.1002 78.0 +262.15016 567.0 +271.15382 194.0 +272.08928 96.0 +275.0952 14.0 +276.14634 215.0 +278.12669 451.0 +283.15305 18.0 +286.65195 30.0 +287.15172 11.0 +289.11649 282.0 +295.66272 20.0 +297.11394 73.0 +299.66951 16.0 +302.19614 16.0 +303.20874 18.0 +304.05276 23.0 +304.17945 44.0 +310.12734 20.0 +311.14137 66.0 +312.64894 28.0 +315.12139 15.0 +316.12444 42.0 +317.13471 131.0 +318.64094 23.0 +321.08213 89.0 +328.15603 71.0 +332.16818 12.0 +333.17703 14.0 +335.14776 956.0 +341.10696 112.0 +343.12087 48.0 +346.68833 15.0 +347.14467 12.0 +354.17217 16.0 +355.17918 103.0 +358.14844 96.0 +360.15663 173.0 +363.14825 60.0 +367.16853 23.0 +371.17715 119.0 +373.18333 324.0 +375.67282 99.0 +378.19777 12.0 +381.15859 22.0 +383.14277 44.0 +387.1832 25.0 +388.20976 178.0 +389.19811 478.0 +391.19679 247.0 +399.17951 25.0 +400.1515 30.0 +401.1679 69.0 +405.19393 134.0 +406.22278 325.0 +410.69516 14.0 +411.19614 33.0 +414.17674 15.0 +415.14583 13.0 +416.20392 102.0 +417.19194 223.0 +419.70533 43.0 +421.6539 15.0 +422.19802 21.0 +422.6795 15.0 +423.66499 15.0 +425.19472 20.0 +426.1913 78.0 +429.17362 30.0 +431.17761 16.0 +432.12483 88.0 +432.2373 20.0 +434.21955 434.0 +436.6659 25.0 +438.1873 99.0 +441.17666 14.0 +444.20558 82.0 +445.71442 24.0 +446.18793 115.0 +447.17781 172.0 +449.14089 335.0 +449.29638 11.0 +452.26116 17.0 +454.21499 46.0 +455.16014 16.0 +455.69174 513.0 +455.86077 11.0 +458.17702 15.0 +459.21809 22.0 +459.70403 16.0 +460.21088 17.0 +461.20627 32.0 +462.23621 1472.0 +462.69861 20.0 +465.74425 16.0 +466.18734 15.0 +467.18806 15.0 +469.16942 45.0 +470.17096 109.0 +470.71237 13.0 +472.18925 143.0 +474.74635 18.0 +476.21239 199.0 +479.72513 14.0 +480.72853 15.0 +482.2208 110.0 +486.14238 27.0 +487.19519 50.0 +488.7324 14.0 +489.19355 189.0 +490.7121 23.0 +491.2335 173.0 +491.70956 12.0 +493.69779 24.0 +496.18788 16.0 +500.22332 282.0 +502.70129 13.0 +503.18399 120.0 +507.22577 14.0 +507.70631 12.0 +508.22711 120.0 +511.71812 12.0 +515.15934 30.0 +516.25902 24.0 +517.24182 164.0 +520.18834 351.0 +520.72723 15.0 +525.21439 12.0 +526.24446 23.0 +527.23289 170.0 +530.19762 107.0 +534.27815 22.0 +535.27802 60.0 +536.26524 390.0 +539.20422 16.0 +540.21481 11.0 +541.18345 121.0 +543.26276 19.0 +544.29133 20.0 +545.22978 322.0 +550.20025 22.0 +551.20929 11.0 +553.28454 423.0 +557.73693 18.0 +558.20892 107.0 +560.18018 214.0 +561.27691 110.0 +563.27141 83.0 +564.25234 397.0 +566.73081 118.0 +569.20114 65.0 +571.74535 13.0 +572.01224 14.0 +572.28782 304.0 +572.70945 12.0 +573.26366 1423.0 +575.74244 321.0 +578.2093 119.0 +581.28646 274.0 +584.2484 89.0 +586.20777 138.0 +588.36394 79.0 +589.2123 14.0 +590.29814 917.0 +590.72472 12.0 +593.75319 12.0 +595.2701 16.0 +596.26197 17.0 +597.23698 15.0 +598.30598 234.0 +603.24487 24.0 +603.74273 14.0 +604.22744 233.0 +610.28869 18.0 +611.26567 14.0 +612.26238 18.0 +614.19571 21.0 +615.2155 18.0 +616.23479 11.0 +617.22776 16.0 +619.26152 55.0 +619.39224 23.0 +621.24923 83.0 +622.74967 23.0 +624.28719 245.0 +626.22869 17.0 +628.23665 13.0 +629.28563 81.0 +631.22539 287.0 +631.73758 168.0 +636.26634 345.0 +636.65414 13.0 +640.26754 340.0 +644.23506 16.0 +646.29596 22.0 +647.30115 67.0 +648.76309 15.0 +649.24603 267.0 +649.75337 130.0 +654.26792 16.0 +656.28004 15.0 +657.28979 28.0 +657.79204 109.0 +658.30003 110.0 +662.2375 29.0 +663.29236 15.0 +664.32905 96.0 +670.25379 14.0 +671.22811 43.0 +674.31406 65.0 +675.30787 124.0 +680.23425 11.0 +681.35256 96.0 +686.30094 15.0 +688.26401 19.0 +689.24048 60.0 +691.34282 46.0 +692.3306 243.0 +697.28497 16.0 +698.26517 11.0 +704.29774 13.0 +705.29957 22.0 +706.27681 15.0 +707.28171 22.0 +708.23791 17.0 +709.35108 244.0 +714.29021 12.0 +715.2896 174.0 +717.40786 78.0 +721.32319 17.0 +722.31463 54.0 +725.26887 19.0 +726.28317 12.0 +727.36143 21.0 +732.33158 75.0 +733.31313 300.0 +741.25013 268.0 +746.25121 17.0 +747.28896 90.0 +750.33837 2008.0 +750.85082 12.0 +751.85264 14.0 +759.2599 198.0 +764.27065 31.0 +765.3086 353.0 +776.35407 24.0 +777.35433 11.0 +778.29728 26.0 +782.28598 12.0 +786.36542 18.0 +793.38456 22.0 +794.39584 14.0 +802.3611 13.0 +803.34655 26.0 +804.35254 52.0 +810.4036 18.0 +811.39415 12.0 +818.30848 12.0 +818.46282 21.0 +819.37904 63.0 +821.385 167.0 +826.31913 25.0 +836.30908 12.0 +838.40338 143.0 +844.33562 24.0 +845.36031 14.0 +853.32516 19.0 +854.33181 104.0 +872.33047 191.0 +877.31863 11.0 +878.37862 20.0 +881.34892 11.0 +890.40474 18.0 +892.37098 21.0 +893.34835 202.0 +907.4227 34.0 +910.37621 1171.0 +963.40149 17.0 +964.39346 12.0 +967.41154 23.0 +968.41676 12.0 +985.41715 12.0 +998.44024 15.0 +1004.39225 17.0 +1021.4045 162.0 +1039.42164 461.0 +1132.45435 46.0 +1150.465 39.0 +1151.44455 25.0 +1160.04801 12.0 +1167.49196 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 11, +MSn(631.8243), 38.5 min +PEPMASS=631.82426999999996 +CHARGE=2+ +201.1323 48.0 +203.11406 10.0 +207.12103 8.0 +213.10069 81.0 +215.14931 15.0 +217.07754 12.0 +222.13768 8.0 +225.17935 8.0 +229.12978 25.0 +231.10717 31.0 +234.11266 26.0 +238.17215 18.0 +240.19617 8.0 +244.08803 59.0 +246.12975 20.0 +247.69182 16.0 +250.13357 8.0 +254.16384 19.0 +255.15679 12.0 +257.10896 34.0 +258.15555 35.0 +261.18154 9.0 +262.10144 90.0 +265.19206 11.0 +266.157 19.0 +272.17883 12.0 +274.13547 20.0 +276.1688 30.0 +284.16667 13.0 +286.15362 16.0 +288.13514 10.0 +292.18958 8.0 +295.17211 13.0 +296.1285 22.0 +297.14253 22.0 +298.6592 9.0 +299.20018 21.0 +300.1727 53.0 +300.32512 8.0 +307.4365 8.0 +308.1442 9.0 +314.1453 70.0 +316.15755 9.0 +317.20456 16.0 +318.19239 10.0 +326.4588 9.0 +327.21502 10.0 +329.18922 8.0 +331.12998 11.0 +341.12718 12.0 +346.99956 10.0 +351.18327 9.0 +352.2754 9.0 +353.15065 8.0 +353.86476 8.0 +354.17727 8.0 +357.17719 61.0 +358.19681 8.0 +359.21543 20.0 +361.17349 9.0 +368.24075 17.0 +369.18795 11.0 +373.17245 9.0 +375.17797 26.0 +377.21754 194.0 +381.16465 16.0 +382.06874 8.0 +383.23046 16.0 +384.16918 8.0 +388.16833 10.0 +389.1888 8.0 +390.18173 13.0 +397.18854 9.0 +399.15611 10.0 +404.39344 8.0 +406.30003 11.0 +412.61416 9.0 +413.25423 8.0 +415.184 18.0 +416.21105 8.0 +425.18577 69.0 +427.23787 20.0 +427.73418 39.0 +434.22277 10.0 +436.89157 10.0 +438.21875 8.0 +441.61145 9.0 +441.98758 8.0 +443.19537 162.0 +444.38584 8.0 +446.17914 10.0 +448.16475 21.0 +449.15169 9.0 +452.24179 14.0 +454.72092 8.0 +456.26333 10.0 +458.16148 19.0 +460.20878 19.0 +461.21931 70.0 +468.24906 16.0 +470.24818 29.0 +472.22371 10.0 +473.23357 17.0 +474.23401 34.0 +475.24509 9.0 +476.23312 9.0 +479.15241 9.0 +481.22923 10.0 +481.69029 16.0 +482.24467 54.0 +483.23115 9.0 +484.23068 19.0 +486.15676 21.0 +486.29819 8.0 +489.2748 12.0 +490.13358 10.0 +492.25195 159.0 +496.14742 12.0 +500.18637 9.0 +500.33032 15.0 +502.24196 19.0 +508.65565 9.0 +509.72688 10.0 +510.27819 24.0 +512.19112 9.0 +514.14874 13.0 +518.22762 14.0 +519.23687 10.0 +528.29032 33.0 +528.74172 10.0 +529.20801 10.0 +530.28733 9.0 +531.69436 9.0 +532.23481 10.0 +533.25624 12.0 +533.40044 11.0 +536.26221 10.0 +536.78459 9.0 +538.26779 18.0 +539.22021 11.0 +543.24339 21.0 +544.27493 9.0 +545.28682 13.0 +545.85631 11.0 +546.28201 15.0 +548.16288 12.0 +553.28006 54.0 +556.27838 20.0 +556.41166 9.0 +558.13899 8.0 +559.219 12.0 +560.30108 9.0 +561.26717 15.0 +562.25928 15.0 +563.28079 8.0 +563.7276 9.0 +570.73484 9.0 +571.29199 234.0 +571.77302 11.0 +574.30767 11.0 +585.29578 8.0 +587.28372 20.0 +589.305 1980.0 +591.15512 8.0 +591.44884 11.0 +594.32555 9.0 +599.36302 8.0 +603.30821 11.0 +612.25403 8.0 +614.36864 10.0 +630.43272 11.0 +630.7999 9.0 +639.32914 19.0 +642.31921 10.0 +646.35315 18.0 +657.32461 12.0 +658.26465 8.0 +660.22092 10.0 +679.87917 8.0 +684.38616 23.0 +685.3832 11.0 +685.71139 10.0 +687.33192 15.0 +688.26419 8.0 +688.76195 9.0 +690.71518 10.0 +695.25466 12.0 +698.30772 9.0 +702.18472 9.0 +702.39372 275.0 +705.29764 12.0 +716.37865 14.0 +721.30864 8.0 +725.72099 8.0 +733.73758 10.0 +750.33123 13.0 +782.35986 11.0 +783.3387 23.0 +785.4324 16.0 +786.44575 9.0 +800.37349 9.0 +802.27924 9.0 +803.44864 265.0 +813.40704 10.0 +817.37294 13.0 +818.37697 9.0 +820.6674 10.0 +837.42819 16.0 +854.45549 14.0 +855.45845 22.0 +946.49529 14.0 +947.47087 9.0 +963.48206 178.0 +964.31817 10.0 +965.70199 9.0 +1692.82134 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 12, +MSn(874.3910), 38.8 min +PEPMASS=874.39101000000005 +CHARGE=2+ +205.10645 14.0 +205.25234 19.0 +208.11994 28.0 +219.14895 16.0 +226.13341 28.0 +233.10553 220.0 +240.11359 14.0 +241.13145 17.0 +243.14683 71.0 +246.15643 14.0 +250.12923 58.0 +254.125 33.0 +258.13233 16.0 +259.13059 16.0 +259.78423 13.0 +260.12063 14.0 +261.09848 134.0 +262.14796 234.0 +271.1526 220.0 +276.14998 147.0 +278.12696 612.0 +286.15224 16.0 +290.11888 38.0 +293.13132 16.0 +300.85588 18.0 +305.17163 12.0 +311.14604 24.0 +315.66403 16.0 +316.12831 14.0 +317.13152 166.0 +321.11212 14.0 +321.20443 14.0 +330.20507 15.0 +332.17856 33.0 +334.1685 12.0 +334.94673 13.0 +335.14983 1279.0 +348.08958 13.0 +359.83495 24.0 +361.19218 18.0 +363.15098 55.0 +371.18192 110.0 +373.18299 136.0 +376.22522 18.0 +378.19578 13.0 +383.18064 40.0 +388.21371 284.0 +389.1999 570.0 +391.19606 213.0 +393.19491 38.0 +400.19802 15.0 +401.19232 72.0 +404.18633 12.0 +405.18588 69.0 +405.5163 22.0 +406.21966 452.0 +407.33299 18.0 +409.21508 19.0 +414.0138 13.0 +416.21344 73.0 +417.20187 244.0 +423.22843 15.0 +425.1841 14.0 +426.21962 15.0 +427.20309 27.0 +433.36111 12.0 +434.21995 373.0 +437.19691 74.0 +444.20228 19.0 +445.19854 19.0 +446.18321 28.0 +449.14582 110.0 +454.23674 12.0 +457.20341 18.0 +458.2124 17.0 +462.23563 759.0 +467.15632 21.0 +467.25168 22.0 +469.16767 23.0 +470.16062 30.0 +472.16035 33.0 +476.2295 18.0 +478.16457 15.0 +479.23474 23.0 +482.23054 57.0 +487.17777 25.0 +489.1966 57.0 +490.26651 12.0 +491.24878 131.0 +500.23513 216.0 +501.64042 14.0 +503.1681 19.0 +504.93241 16.0 +505.15526 15.0 +506.85353 13.0 +510.22021 17.0 +510.40524 18.0 +510.53498 12.0 +511.23783 35.0 +516.26899 13.0 +517.26319 39.0 +518.22228 190.0 +524.32984 12.0 +525.25798 17.0 +527.25349 18.0 +528.23729 46.0 +529.24262 80.0 +533.31001 25.0 +535.28514 47.0 +536.26722 265.0 +539.73735 15.0 +540.21983 19.0 +544.26907 36.0 +545.25582 126.0 +546.81949 12.0 +549.23741 27.0 +550.19348 20.0 +553.29463 279.0 +558.22431 12.0 +560.1744 88.0 +561.18124 94.0 +561.27502 73.0 +563.28102 66.0 +564.2552 269.0 +567.70694 15.0 +569.24639 20.0 +572.28281 30.0 +573.27194 166.0 +575.2413 135.0 +575.73506 97.0 +578.18393 74.0 +580.87492 15.0 +581.28896 162.0 +584.24519 172.0 +584.38259 12.0 +587.25898 23.0 +588.19396 16.0 +590.29469 315.0 +595.21726 20.0 +596.31802 14.0 +597.25488 13.0 +598.31236 87.0 +599.21092 20.0 +602.28 14.0 +604.23019 101.0 +610.28676 13.0 +615.21762 51.0 +621.24929 22.0 +629.28834 85.0 +631.22278 153.0 +634.41265 17.0 +635.2746 14.0 +636.25011 21.0 +640.26445 269.0 +641.0538 15.0 +641.88893 14.0 +642.28504 42.0 +645.39976 19.0 +647.31584 75.0 +648.04887 14.0 +648.77155 18.0 +649.26504 353.0 +657.22821 12.0 +657.78317 441.0 +660.32909 21.0 +662.2984 16.0 +663.27839 17.0 +664.3174 74.0 +674.29872 17.0 +675.32884 103.0 +680.26387 19.0 +681.34912 59.0 +686.31587 14.0 +687.80664 18.0 +688.25749 12.0 +689.23363 41.0 +689.7942 14.0 +691.3327 39.0 +692.34054 148.0 +706.27371 73.0 +706.63787 13.0 +709.35503 94.0 +709.87987 20.0 +715.40089 24.0 +717.32459 12.0 +718.32362 13.0 +718.51953 14.0 +719.32185 12.0 +721.35196 19.0 +722.31018 14.0 +725.2815 57.0 +726.8328 14.0 +730.79176 14.0 +731.29058 17.0 +732.30531 24.0 +733.31453 88.0 +735.83683 77.0 +742.27821 45.0 +744.05089 12.0 +746.24898 13.0 +747.23103 34.0 +748.35048 12.0 +749.34568 16.0 +750.33829 516.0 +754.44734 18.0 +758.32112 16.0 +759.26766 15.0 +760.27557 116.0 +764.26544 81.0 +775.33861 37.0 +775.81864 13.0 +777.29098 70.0 +777.50785 29.0 +780.26865 13.0 +783.85458 24.0 +784.32909 13.0 +785.32618 18.0 +792.87279 75.0 +795.86536 15.0 +796.33336 13.0 +803.37107 17.0 +804.35391 40.0 +810.41594 19.0 +813.33527 15.0 +814.32731 21.0 +820.38276 28.0 +821.38623 85.0 +825.34254 12.0 +832.82209 12.0 +836.31679 16.0 +837.31844 13.0 +838.40453 101.0 +843.36615 12.0 +847.092 14.0 +850.87103 14.0 +853.33008 51.0 +857.37639 35.0 +865.37945 177.0 +865.6115 14.0 +874.37371 127.0 +883.35525 12.0 +886.96492 19.0 +889.35922 14.0 +891.31917 16.0 +893.34024 101.0 +906.37429 19.0 +907.34341 19.0 +910.37291 871.0 +910.96048 20.0 +911.57866 17.0 +919.54229 13.0 +924.37663 88.0 +953.43139 13.0 +976.37948 13.0 +979.24354 23.0 +1005.34471 18.0 +1010.41292 12.0 +1018.16539 12.0 +1021.40251 130.0 +1039.42256 852.0 +1053.42202 12.0 +1054.43228 13.0 +1062.42463 18.0 +1080.01032 13.0 +1106.641 19.0 +1118.08484 12.0 +1118.48565 15.0 +1124.57381 12.0 +1132.4805 25.0 +1149.46005 32.0 +1150.46285 236.0 +1167.4831 499.0 +1279.52162 38.0 +1296.56836 17.0 +1297.5629 33.0 +1314.55905 737.0 +1315.80968 18.0 +1316.84307 17.0 +1353.78542 27.0 +1413.63806 18.0 +1414.64224 12.0 +1470.66639 76.0 +1603.65506 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 13, +MSn(562.2794), 39.4 min +PEPMASS=562.27936999999997 +CHARGE=2+ +195.08474 58.0 +197.13844 34.0 +198.09669 57.0 +199.63468 29.0 +204.0932 12.0 +211.9592 10.0 +212.11569 468.0 +215.14873 39.0 +216.10613 187.0 +219.1296 9.0 +221.14467 9.0 +224.12113 26.0 +226.12889 17.0 +227.0771 10.0 +230.06657 80.0 +231.11603 61.0 +233.44316 11.0 +238.16691 10.0 +239.13179 9.0 +241.03669 12.0 +243.15769 11.0 +245.08705 94.0 +245.85511 10.0 +246.14183 35.0 +248.09643 24.0 +249.13557 91.0 +251.12498 32.0 +252.11951 68.0 +257.11462 18.0 +258.06963 28.0 +259.05555 78.0 +259.13951 43.0 +262.12551 35.0 +266.16284 24.0 +267.15344 61.0 +268.13746 141.0 +271.18813 10.0 +272.14683 20.0 +274.13328 101.0 +275.11495 8.0 +276.08067 398.0 +276.14618 131.0 +283.19981 69.0 +284.1716 121.0 +284.30413 9.0 +286.61638 9.0 +293.10592 23.0 +293.19174 17.0 +294.18018 612.0 +298.13122 9.0 +300.13037 28.0 +301.19915 64.0 +304.17038 22.0 +311.17928 190.0 +312.9068 9.0 +313.16259 330.0 +317.19149 18.0 +319.14853 14.0 +320.12628 13.0 +324.10166 43.0 +328.1502 9.0 +329.19045 75.0 +335.14085 14.0 +337.19186 115.0 +341.12752 11.0 +342.12016 18.0 +346.1434 12.0 +346.21121 10.0 +348.18419 15.0 +350.15861 18.0 +354.22313 19.0 +357.2005 12.0 +358.19365 15.0 +360.20843 12.0 +363.22237 54.0 +367.2143 11.0 +368.188 11.0 +370.08158 17.0 +374.15228 9.0 +375.17911 48.0 +377.13999 60.0 +380.24979 44.0 +381.2242 121.0 +385.16308 21.0 +387.10952 82.0 +388.2377 10.0 +389.1612 199.0 +398.23689 67.0 +404.04136 9.0 +405.1281 478.0 +405.22018 283.0 +408.2454 30.0 +409.24621 36.0 +411.14166 15.0 +412.23233 12.0 +415.20909 15.0 +419.19056 10.0 +422.16207 11.0 +423.24144 180.0 +426.2434 50.0 +428.19973 11.0 +430.25019 16.0 +430.87441 10.0 +434.36281 14.0 +434.61203 15.0 +436.17321 14.0 +437.27007 10.0 +438.19246 12.0 +439.70271 9.0 +441.22327 12.0 +442.19327 75.0 +447.23943 16.0 +449.26141 9.0 +450.31187 9.0 +450.6424 18.0 +451.22196 19.0 +453.73298 11.0 +454.20207 11.0 +455.18873 21.0 +456.18812 22.0 +457.21403 95.0 +462.15038 12.0 +465.20626 38.0 +468.3186 10.0 +469.22067 10.0 +471.20989 27.0 +472.20178 194.0 +474.71552 39.0 +477.25275 26.0 +478.22873 77.0 +482.24895 69.0 +482.90104 9.0 +483.83996 16.0 +486.17315 13.0 +488.17799 109.0 +490.21423 352.0 +495.25901 20.0 +496.23725 34.0 +499.2232 11.0 +500.2113 36.0 +501.18109 15.0 +502.25646 24.0 +503.22706 71.0 +506.18786 154.0 +508.20693 9.0 +510.25279 37.0 +513.27929 10.0 +514.25538 12.0 +516.24151 45.0 +518.21947 352.0 +520.75407 10.0 +523.2551 20.0 +524.20483 169.0 +525.33455 11.0 +527.22977 9.0 +528.26927 24.0 +529.31445 50.0 +531.23621 9.0 +532.29905 11.0 +532.92585 10.0 +533.22878 47.0 +534.1982 90.0 +534.68642 10.0 +535.29923 11.0 +535.74468 12.0 +538.26776 711.0 +543.23475 26.0 +545.26612 9.0 +546.24745 66.0 +548.34122 22.0 +551.23798 15.0 +552.20984 211.0 +553.7724 14.0 +557.24184 28.0 +558.25841 59.0 +561.2741 9.0 +562.17802 9.0 +562.27964 29.0 +568.25787 27.0 +569.23248 95.0 +573.25763 133.0 +577.27014 9.0 +583.22846 44.0 +586.25036 226.0 +591.15831 12.0 +591.27034 109.0 +592.89303 9.0 +594.28677 10.0 +599.20322 10.0 +600.35307 46.0 +600.50758 9.0 +601.23675 144.0 +604.26925 61.0 +605.31049 9.0 +607.08291 11.0 +607.29343 43.0 +611.2439 10.0 +612.24128 11.0 +614.24056 9.0 +615.329 25.0 +618.31383 11.0 +619.26287 187.0 +627.27849 10.0 +629.3011 11.0 +635.26044 11.0 +636.26308 15.0 +636.84522 9.0 +637.28577 65.0 +640.28707 17.0 +641.28324 9.0 +646.26927 16.0 +652.30441 11.0 +653.92553 9.0 +656.27139 35.0 +659.62124 14.0 +662.28556 11.0 +663.28544 12.0 +665.28189 40.0 +666.01539 12.0 +666.41586 10.0 +669.32879 14.0 +670.28021 41.0 +673.29682 15.0 +680.29122 206.0 +684.29791 86.0 +687.29768 83.0 +698.30769 1162.0 +703.30612 13.0 +704.33296 24.0 +706.29673 15.0 +707.33476 9.0 +708.30119 26.0 +715.29965 27.0 +716.29149 77.0 +720.34544 10.0 +722.3288 16.0 +725.40183 21.0 +732.30852 10.0 +733.31952 48.0 +738.36732 28.0 +748.3484 9.0 +756.72683 15.0 +759.55189 10.0 +767.34261 30.0 +777.33925 11.0 +785.24498 14.0 +785.34461 35.0 +791.36634 13.0 +793.38748 10.0 +794.36402 16.0 +802.38681 11.0 +810.6928 9.0 +811.39524 288.0 +815.33872 9.0 +816.45507 10.0 +817.3873 9.0 +822.37591 12.0 +830.35264 11.0 +834.38001 9.0 +835.36748 11.0 +864.36747 11.0 +867.81599 10.0 +868.4329 11.0 +894.43956 18.0 +896.42099 14.0 +903.52214 16.0 +904.40749 12.0 +912.45716 153.0 +914.50721 8.0 +922.42166 14.0 +924.0477 9.0 +936.48058 10.0 +964.47851 11.0 +992.46663 9.0 +1008.47862 90.0 +1026.49636 157.0 +1090.70246 10.0 +1344.3759 9.0 +END IONS +BEGIN IONS +TITLE=Cmpd 14, +MSn(634.6509), 40.0 min +PEPMASS=634.65090999999995 +CHARGE=3+ +199.08041 46.0 +201.13333 15.0 +216.11095 114.0 +225.10712 16.0 +226.09802 55.0 +226.16193 40.0 +240.13754 10.0 +244.00972 10.0 +244.17664 178.0 +261.13528 9.0 +262.15067 15.0 +266.17077 11.0 +272.08364 13.0 +280.12356 23.0 +285.16774 11.0 +296.12936 14.0 +300.16546 14.0 +308.12259 16.0 +313.14399 13.0 +326.18001 9.0 +341.12292 9.0 +347.11242 9.0 +357.26124 90.0 +359.28406 9.0 +370.08974 13.0 +374.1831 9.0 +377.21776 10.0 +386.12979 11.0 +387.11339 15.0 +404.13949 43.0 +421.20405 21.0 +430.07399 9.0 +432.19882 10.0 +443.17814 8.0 +447.15255 16.0 +450.5317 11.0 +451.2077 10.0 +457.25646 11.0 +460.20122 17.0 +461.2107 30.0 +465.73046 9.0 +466.2939 23.0 +467.27819 9.0 +468.2523 10.0 +472.29534 13.0 +481.22652 11.0 +482.24327 42.0 +483.73864 12.0 +485.26366 15.0 +487.04733 11.0 +487.23121 9.0 +490.73817 9.0 +491.7437 9.0 +493.19624 11.0 +494.30222 9.0 +498.23682 9.0 +499.25062 44.0 +500.58592 9.0 +501.31105 9.0 +504.09935 8.0 +505.22037 37.0 +507.77402 194.0 +509.10921 10.0 +511.22872 15.0 +512.93511 8.0 +513.25467 15.0 +519.22122 10.0 +526.93313 14.0 +527.27366 18.0 +528.71984 8.0 +530.18388 12.0 +530.30655 10.0 +531.75508 16.0 +534.27946 9.0 +534.38595 9.0 +536.27031 14.0 +536.85683 10.0 +538.25651 14.0 +539.78581 14.0 +540.58643 11.0 +542.25162 44.0 +543.7602 14.0 +546.77536 9.0 +547.61053 54.0 +548.19043 9.0 +549.14456 10.0 +551.21875 20.0 +553.62031 77.0 +553.6214 95.0 +554.42943 17.0 +555.28657 11.0 +557.25992 24.0 +558.75447 10.0 +560.60303 11.0 +561.23061 10.0 +564.28768 8.0 +565.22184 14.0 +566.27661 49.0 +566.75908 30.0 +569.35097 155.0 +569.62263 61.0 +570.63197 9.0 +571.78054 40.0 +575.19458 16.0 +576.30827 165.0 +579.75687 8.0 +580.23314 26.0 +581.3047 31.0 +582.60662 9.0 +583.28137 26.0 +584.77864 38.0 +585.51438 11.0 +586.28988 9.0 +587.28734 13.0 +587.40269 11.0 +588.74745 41.0 +589.29206 204.0 +590.63148 172.0 +591.81109 8.0 +591.97402 9.0 +592.96807 14.0 +594.26928 8.0 +595.30905 15.0 +596.63913 69.0 +597.47888 8.0 +599.38748 21.0 +599.96936 53.0 +600.30289 66.0 +600.973 9.0 +603.2969 20.0 +603.63526 15.0 +605.7995 9.0 +606.76792 11.0 +607.29851 9.0 +608.30147 11.0 +608.63202 143.0 +610.8174 20.0 +611.32764 12.0 +611.47715 9.0 +613.35179 11.0 +614.48694 13.0 +614.9652 62.0 +615.79056 8.0 +617.29371 58.0 +617.44153 15.0 +619.82766 342.0 +622.64823 27.0 +622.97232 216.0 +623.63166 133.0 +624.79301 9.0 +626.79105 18.0 +627.30626 9.0 +628.30781 61.0 +628.64112 73.0 +628.64433 116.0 +629.49531 9.0 +629.63819 43.0 +632.32241 10.0 +633.35843 34.0 +634.1238 11.0 +634.65799 306.0 +636.28529 13.0 +637.32161 219.0 +638.82887 10.0 +639.33845 13.0 +643.28478 24.0 +643.79451 9.0 +645.29438 12.0 +647.30246 9.0 +649.79699 15.0 +650.28576 11.0 +651.80205 16.0 +652.30684 24.0 +656.38684 210.0 +659.31476 38.0 +662.41832 9.0 +664.30563 43.0 +667.35278 17.0 +667.83624 8.0 +670.3196 27.0 +675.34438 11.0 +675.86606 104.0 +676.37167 228.0 +681.33195 13.0 +681.86007 17.0 +683.32539 10.0 +689.34919 14.0 +691.84007 27.0 +694.35031 13.0 +696.35364 13.0 +698.32104 13.0 +700.32907 9.0 +702.37999 38.0 +707.33297 52.0 +708.84049 9.0 +716.83218 15.0 +719.35062 11.0 +721.82299 11.0 +722.32569 11.0 +728.40979 15.0 +733.26645 8.0 +739.34185 10.0 +741.40162 11.0 +747.3262 9.0 +748.34498 9.0 +749.43176 11.0 +749.9087 385.0 +752.36541 9.0 +754.84495 12.0 +755.35917 43.0 +756.94025 9.0 +757.36398 18.0 +759.39376 9.0 +764.34874 11.0 +764.86936 9.0 +766.34921 26.0 +771.40752 79.0 +773.36432 129.0 +781.40649 10.0 +783.40226 11.0 +785.40117 10.0 +803.43913 64.0 +805.46001 9.0 +808.39467 10.0 +810.39034 9.0 +811.41146 11.0 +820.91215 65.0 +822.39681 9.0 +823.40219 9.0 +826.69807 12.0 +829.92846 401.0 +830.42422 240.0 +831.91615 8.0 +834.17791 8.0 +843.40661 15.0 +854.44818 14.0 +856.1756 12.0 +869.44525 10.0 +882.39382 25.0 +885.41357 12.0 +885.94662 13.0 +886.45541 111.0 +890.43188 13.0 +894.45506 41.0 +899.44826 184.0 +899.95074 107.0 +901.46251 8.0 +908.4576 11.0 +963.47927 54.0 +995.48213 24.0 +996.29127 14.0 +1003.46736 13.0 +1014.55091 19.0 +1015.54782 22.0 +1090.51503 13.0 +1108.58757 8.0 +1109.67602 9.0 +1151.6076 12.0 +1229.59063 9.0 +1238.64468 11.0 +1279.04941 11.0 +1282.64734 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 15, +MSn(554.2789), 40.4 min +PEPMASS=554.27886000000001 +CHARGE=2+ +195.09205 5.0 +200.1112 70.0 +202.10017 7.0 +204.09095 15.0 +205.08057 14.0 +209.13837 9.0 +214.12672 8.0 +215.0624 14.0 +217.10033 12.0 +218.08116 16.0 +219.12679 99.0 +223.14882 5.0 +226.16496 150.0 +229.12965 31.0 +231.12494 12.0 +232.08734 16.0 +233.07403 18.0 +235.10101 44.0 +238.1345 8.0 +244.17811 410.0 +252.10885 45.0 +253.10708 5.0 +254.13691 6.0 +257.1361 6.0 +262.11373 17.0 +263.09883 82.0 +265.17367 15.0 +266.14488 13.0 +270.12071 11.0 +271.12351 5.0 +273.16679 13.0 +275.16183 5.0 +276.14654 10.0 +277.13733 6.0 +280.11904 285.0 +283.18498 76.0 +285.1638 5.0 +286.15457 26.0 +287.15347 7.0 +288.14786 19.0 +290.11447 6.0 +291.09203 9.0 +300.16479 26.0 +301.20039 932.0 +308.11479 130.0 +310.14617 7.0 +311.18433 7.0 +312.1411 9.0 +314.15541 9.0 +315.12753 55.0 +318.19008 29.0 +319.19263 7.0 +326.09613 8.0 +334.14278 16.0 +335.15445 10.0 +339.18262 6.0 +343.11787 291.0 +346.14954 6.0 +348.15512 6.0 +351.15652 10.0 +353.17399 8.0 +355.16949 5.0 +357.18397 19.0 +359.18579 6.0 +361.13659 60.0 +363.12984 7.0 +367.21341 14.0 +371.19319 16.0 +372.18709 8.0 +375.21613 5.0 +379.15655 238.0 +382.15801 9.0 +385.18531 6.0 +388.20576 5.0 +391.15932 6.0 +394.22314 13.0 +395.20843 7.0 +399.17952 23.0 +405.19274 15.0 +412.23507 297.0 +430.24525 397.0 +433.21483 6.0 +440.23526 15.0 +445.21901 8.0 +445.73807 7.0 +446.20175 6.0 +447.24225 10.0 +450.28407 20.0 +451.18546 7.0 +454.23879 8.0 +458.24972 33.0 +460.21995 6.0 +461.21203 6.0 +462.20207 14.0 +463.18546 12.0 +475.27508 5.0 +476.26329 13.0 +478.23022 17.0 +479.22944 8.0 +480.2309 5.0 +490.19423 44.0 +493.28737 35.0 +502.22931 6.0 +504.25746 21.0 +508.2067 9.0 +511.31351 18.0 +512.30726 10.0 +521.26746 5.0 +529.31841 585.0 +529.86492 5.0 +537.21142 5.0 +538.24125 6.0 +539.29987 16.0 +548.23858 7.0 +555.36608 6.0 +556.30386 8.0 +561.22876 11.0 +562.25763 6.0 +564.33033 5.0 +565.31679 20.0 +566.3366 7.0 +582.34295 38.0 +598.34628 6.0 +600.35765 1046.0 +600.73273 6.0 +603.35741 9.0 +607.27984 8.0 +610.33551 12.0 +665.27115 5.0 +729.42643 16.0 +730.42646 5.0 +747.43327 499.0 +750.45215 6.0 +816.45941 7.0 +890.44467 10.0 +907.46479 98.0 +979.51065 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 16, +MSn(583.5860), 40.6 min +PEPMASS=583.58596999999997 +CHARGE=3+ +202.22131 12.0 +212.11505 38.0 +226.13815 20.0 +227.07589 12.0 +229.14976 12.0 +233.10164 24.0 +238.15232 12.0 +241.0941 29.0 +243.15824 65.0 +250.14116 16.0 +252.10892 18.0 +261.53935 17.0 +262.16153 65.0 +264.08724 10.0 +271.14839 24.0 +272.07141 15.0 +273.193 10.0 +276.14748 53.0 +278.12234 50.0 +280.16239 12.0 +286.64541 10.0 +289.10856 10.0 +290.15745 80.0 +291.09569 15.0 +296.15598 14.0 +298.11331 11.0 +300.16145 10.0 +302.14305 21.0 +312.15648 12.0 +314.14109 12.0 +315.18019 11.0 +316.09879 17.0 +318.1403 22.0 +318.6376 63.0 +329.28536 11.0 +330.17219 13.0 +335.14958 56.0 +338.91192 11.0 +341.1115 21.0 +343.13332 19.0 +346.66547 15.0 +356.18437 12.0 +357.15541 12.0 +358.65206 16.0 +360.06118 11.0 +360.14876 11.0 +361.15657 11.0 +365.00218 12.0 +367.16934 21.0 +368.18219 10.0 +371.1377 51.0 +372.44029 11.0 +372.73118 11.0 +373.18935 67.0 +375.67013 40.0 +384.13654 12.0 +387.17595 12.0 +388.21524 19.0 +389.18682 45.0 +391.19729 39.0 +399.39427 13.0 +401.18044 10.0 +404.23177 10.0 +405.18384 46.0 +405.66936 12.0 +406.21605 78.0 +411.68798 22.0 +414.16452 15.0 +414.71541 15.0 +417.43178 12.0 +417.53717 12.0 +418.21295 58.0 +421.88759 17.0 +422.6744 145.0 +425.16601 10.0 +429.19654 15.0 +430.81964 26.0 +432.23734 10.0 +434.21182 49.0 +436.6738 27.0 +439.1895 16.0 +443.62323 18.0 +445.17509 16.0 +445.26105 11.0 +446.18502 54.0 +446.28191 23.0 +446.70967 11.0 +447.17735 49.0 +449.14306 25.0 +451.20593 11.0 +452.2169 21.0 +454.17826 11.0 +454.56747 13.0 +455.69218 62.0 +456.33771 10.0 +460.18706 11.0 +460.40972 22.0 +462.23645 220.0 +462.43039 10.0 +464.00728 10.0 +466.17985 25.0 +467.03981 15.0 +468.70872 12.0 +470.18326 22.0 +471.71673 16.0 +473.21246 11.0 +474.75735 21.0 +475.25658 10.0 +476.23473 99.0 +478.16665 19.0 +478.33604 10.0 +479.22102 60.0 +482.72222 11.0 +483.73585 32.0 +484.19825 10.0 +484.38803 11.0 +486.24028 17.0 +487.18523 11.0 +491.23756 46.0 +492.78771 10.0 +494.20681 19.0 +495.24659 21.0 +497.23999 13.0 +499.16503 12.0 +500.26501 33.0 +502.19639 37.0 +502.8883 12.0 +506.26102 15.0 +508.23918 36.0 +508.69364 15.0 +511.79276 12.0 +512.20691 19.0 +514.36632 11.0 +517.7246 12.0 +519.20738 18.0 +520.18816 43.0 +524.27766 11.0 +525.89078 14.0 +526.75857 11.0 +529.24948 10.0 +530.38743 16.0 +532.30393 11.0 +535.28462 55.0 +536.73472 16.0 +538.34689 15.0 +539.22378 10.0 +540.22991 10.0 +541.20667 70.0 +543.74 18.0 +546.25104 55.0 +548.36268 13.0 +549.74732 26.0 +550.18245 17.0 +553.30137 16.0 +554.27313 63.0 +555.8317 11.0 +557.74557 13.0 +559.20712 13.0 +560.16381 38.0 +561.28393 12.0 +563.24681 60.0 +564.24982 47.0 +565.38304 10.0 +567.36637 10.0 +569.18427 41.0 +572.28491 40.0 +572.79132 16.0 +573.26953 223.0 +578.19258 37.0 +580.30387 11.0 +581.26933 58.0 +584.24175 17.0 +585.34185 21.0 +585.45172 12.0 +587.1979 34.0 +587.40121 85.0 +590.29569 161.0 +596.1616 10.0 +597.20469 10.0 +598.33714 73.0 +603.39209 15.0 +604.22332 26.0 +610.44366 10.0 +613.28909 10.0 +615.27369 13.0 +619.2361 32.0 +625.27148 16.0 +626.19713 23.0 +628.9859 10.0 +629.2908 14.0 +630.21352 51.0 +631.78879 23.0 +635.27291 11.0 +636.26792 386.0 +641.38873 12.0 +641.91931 15.0 +642.25927 46.0 +647.3331 11.0 +649.24991 30.0 +655.25719 10.0 +657.76504 15.0 +662.83306 10.0 +665.35785 11.0 +672.23141 12.0 +674.29021 32.0 +676.35301 16.0 +677.41802 11.0 +681.33424 22.0 +683.3599 19.0 +687.24831 13.0 +692.3074 12.0 +693.32714 31.0 +696.35564 12.0 +700.26975 14.0 +700.39805 14.0 +705.31935 23.0 +709.37003 21.0 +710.34169 37.0 +712.81695 11.0 +715.30918 33.0 +731.32054 27.0 +733.32732 14.0 +735.31932 12.0 +740.57019 14.0 +741.24645 214.0 +741.87468 12.0 +747.31412 95.0 +750.33298 256.0 +751.5808 12.0 +756.3324 19.0 +759.24821 163.0 +765.31644 313.0 +767.06826 10.0 +793.37032 18.0 +803.42128 10.0 +820.39258 31.0 +825.58046 14.0 +826.3386 31.0 +828.36262 12.0 +838.38965 58.0 +844.34153 37.0 +852.44423 18.0 +854.09495 15.0 +854.33625 145.0 +855.70826 10.0 +872.34032 172.0 +878.39456 36.0 +882.41529 11.0 +888.38269 13.0 +893.34743 69.0 +900.31975 13.0 +910.16489 20.0 +910.37708 141.0 +925.04784 25.0 +967.42327 28.0 +981.41413 11.0 +985.42821 20.0 +1039.41315 34.0 +1040.43277 24.0 +1042.40956 15.0 +1114.48414 10.0 +1396.5329 19.0 +1888.53056 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 17, +MSn(561.2592), 41.3 min +PEPMASS=561.25917000000004 +CHARGE=1+ +195.08709 59.0 +196.08133 65.0 +197.07343 25.0 +198.10116 17.0 +199.08141 131.0 +201.13404 165.0 +202.01048 41.0 +203.0422 21.0 +203.11355 191.0 +209.11244 20.0 +210.09826 25.0 +211.12943 29.0 +212.11925 116.0 +213.04856 576.0 +214.13026 95.0 +215.11678 21.0 +216.11628 27.0 +217.03003 47.0 +217.08975 50.0 +226.15552 16.0 +229.13832 30.0 +230.12773 42.0 +231.04213 313.0 +231.10786 363.0 +233.03472 33.0 +236.12114 25.0 +237.10716 23.0 +238.09082 203.0 +245.08176 22.0 +247.15116 43.0 +248.15411 14.0 +249.14287 13.0 +252.11639 33.0 +254.12995 123.0 +255.11857 375.0 +258.05029 32.0 +259.03418 547.0 +264.11548 18.0 +266.16639 39.0 +267.15489 29.0 +268.08251 312.0 +271.16205 17.0 +272.14732 1051.0 +276.06058 999.0 +282.12086 154.0 +284.16657 30.0 +285.16916 13.0 +286.0992 163.0 +289.17474 1144.0 +294.18603 73.0 +295.15652 43.0 +296.08297 1119.0 +299.15704 23.0 +300.13483 386.0 +304.05438 939.0 +310.19047 21.0 +311.18297 36.0 +312.1693 96.0 +313.16462 82.0 +314.09398 1298.0 +318.14038 216.0 +324.1535 16.0 +326.56354 15.0 +327.21136 16.0 +329.19092 38.0 +330.1812 60.0 +337.1853 20.0 +341.20094 22.0 +346.22568 17.0 +351.14112 32.0 +352.16815 18.0 +353.20359 54.0 +354.19236 150.0 +359.09671 174.0 +361.18905 15.0 +362.19776 13.0 +369.81494 15.0 +370.21331 121.0 +370.7041 35.0 +371.21628 354.0 +373.70345 13.0 +377.11956 34.0 +379.1324 42.0 +381.10204 30.0 +381.22413 24.0 +382.70781 14.0 +383.23603 37.0 +385.21143 26.0 +386.23069 13.0 +387.0934 227.0 +387.21561 20.0 +388.24509 1556.0 +395.19265 24.0 +397.13616 280.0 +400.72068 15.0 +401.19581 15.0 +403.2255 16.0 +405.10912 391.0 +405.22139 90.0 +413.22249 48.0 +414.22879 29.0 +417.2319 19.0 +423.23512 51.0 +425.12969 401.0 +426.23297 66.0 +426.7449 49.0 +429.25355 24.0 +430.24343 13.0 +431.23825 19.0 +435.24083 28.0 +437.22032 16.0 +443.14658 39.0 +446.22365 18.0 +448.15553 26.0 +450.2554 18.0 +453.18413 13.0 +466.16438 57.0 +466.27947 41.0 +467.17206 17.0 +467.2777 50.0 +468.1489 17.0 +468.27735 17.0 +472.11615 23.0 +474.12566 14.0 +476.14028 78.0 +477.16763 24.0 +478.17149 14.0 +482.24428 22.0 +483.31605 30.0 +484.3027 219.0 +485.17152 13.0 +488.14944 36.0 +489.21883 21.0 +490.22239 24.0 +491.23556 15.0 +494.15299 701.0 +497.74723 58.0 +498.24953 34.0 +498.73302 16.0 +499.15339 16.0 +499.29788 20.0 +501.33236 2229.0 +506.16884 23.0 +508.29899 20.0 +510.30854 19.0 +511.31676 19.0 +512.16659 310.0 +516.1414 316.0 +520.25439 21.0 +523.23724 14.0 +524.20092 20.0 +526.31197 22.0 +527.28831 22.0 +529.31684 37.0 +530.1797 13.0 +530.30509 34.0 +534.16181 52.0 +535.17865 16.0 +536.30079 13.0 +537.29592 13.0 +538.26946 99.0 +539.25763 29.0 +541.1266 16.0 +542.35334 20.0 +543.34134 29.0 +544.3469 15.0 +546.33813 24.0 +552.19205 31.0 +553.32817 50.0 +554.3156 54.0 +555.32048 27.0 +556.29806 18.0 +558.35691 81.0 +559.1542 16.0 +559.35515 21.0 +561.23909 19.0 +567.15427 40.0 +569.26027 13.0 +570.35744 269.0 +571.34289 437.0 +575.19591 15.0 +576.17266 16.0 +579.2383 49.0 +580.26074 21.0 +585.16706 179.0 +586.33878 26.0 +587.23836 20.0 +587.92455 17.0 +588.36901 7167.0 +588.87154 15.0 +589.07977 24.0 +598.34918 60.0 +599.35242 19.0 +600.34361 17.0 +603.183 175.0 +607.2515 39.0 +608.23906 21.0 +619.265 18.0 +621.18395 66.0 +622.18846 16.0 +639.38084 13.0 +654.38514 15.0 +655.39233 14.0 +672.39924 15.0 +681.38886 62.0 +682.38435 53.0 +683.35357 20.0 +686.32909 13.0 +687.40314 14.0 +688.27526 16.0 +697.38076 14.0 +698.30899 82.0 +699.40455 1213.0 +716.40192 17.0 +717.41659 2270.0 +727.40298 14.0 +728.40092 14.0 +738.42004 53.0 +739.42132 33.0 +740.41384 21.0 +743.39877 30.0 +756.42572 255.0 +764.43341 28.0 +773.44096 16.0 +774.44791 78.0 +775.43917 25.0 +776.43731 25.0 +777.44889 13.0 +782.44859 40.0 +783.44236 29.0 +784.42618 13.0 +788.46813 17.0 +800.45604 114.0 +801.45166 161.0 +811.40066 26.0 +818.46946 1208.0 +888.18203 13.0 +912.45109 31.0 +913.45697 14.0 +1026.49184 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 18, +MSn(552.2530), 41.5 min +PEPMASS=552.25297 +CHARGE=2+ +200.10734 39.0 +203.11898 9.0 +204.09622 7.0 +209.13803 8.0 +210.12209 7.0 +211.08816 5.0 +213.10014 6.0 +215.07577 10.0 +217.10259 20.0 +218.07459 21.0 +219.12558 52.0 +219.22507 7.0 +225.10421 7.0 +226.16707 117.0 +229.13211 22.0 +230.116 6.0 +231.12147 16.0 +232.08794 32.0 +233.09669 6.0 +234.84941 6.0 +235.1035 45.0 +237.13413 7.0 +240.15904 6.0 +241.09494 12.0 +243.1923 5.0 +244.17783 321.0 +245.02028 6.0 +252.1064 78.0 +255.13273 7.0 +260.50619 8.0 +262.09935 7.0 +263.10369 34.0 +265.17286 7.0 +266.16162 9.0 +267.03649 5.0 +267.16302 7.0 +270.13322 14.0 +272.08865 20.0 +273.17002 13.0 +275.18535 7.0 +276.13455 9.0 +280.1226 198.0 +280.60945 5.0 +282.13653 6.0 +283.18909 48.0 +285.13831 10.0 +286.16266 24.0 +288.14477 26.0 +289.16176 8.0 +290.01277 10.0 +291.09928 9.0 +294.1603 8.0 +296.12157 9.0 +299.08912 5.0 +300.16282 13.0 +301.1993 614.0 +307.16031 7.0 +308.11829 66.0 +310.18452 9.0 +311.16748 6.0 +314.15159 10.0 +315.12385 33.0 +316.12762 8.0 +318.01908 7.0 +318.18917 11.0 +320.23796 5.0 +325.14875 14.0 +327.13986 6.0 +328.18319 6.0 +329.16217 5.0 +330.19118 6.0 +332.10313 7.0 +334.14998 5.0 +337.07463 6.0 +337.54761 6.0 +342.25268 5.0 +343.11979 271.0 +347.13151 7.0 +348.13684 6.0 +349.17364 14.0 +351.22742 6.0 +353.181 6.0 +354.17429 7.0 +355.20441 6.0 +357.18626 17.0 +360.16672 6.0 +361.13863 72.0 +363.13742 9.0 +364.15566 5.0 +370.17379 6.0 +371.19387 37.0 +377.17883 7.0 +379.16054 175.0 +381.1467 9.0 +383.1979 11.0 +385.20809 5.0 +387.17484 9.0 +388.23179 11.0 +389.23415 6.0 +392.14675 7.0 +394.23296 10.0 +397.71232 5.0 +398.21176 6.0 +399.17652 22.0 +399.90944 6.0 +403.19052 8.0 +404.16463 5.0 +405.1768 8.0 +406.18854 8.0 +411.137 5.0 +412.23465 205.0 +418.17027 8.0 +419.24695 9.0 +422.7085 5.0 +427.14413 10.0 +429.20179 6.0 +430.24427 295.0 +431.62306 6.0 +433.22134 8.0 +437.21111 11.0 +440.2283 15.0 +443.25837 5.0 +445.23795 25.0 +445.73308 9.0 +447.22114 9.0 +448.23283 6.0 +450.20185 42.0 +451.6668 7.0 +454.23816 14.0 +454.73401 5.0 +457.80793 6.0 +458.24923 13.0 +459.16543 9.0 +460.20538 14.0 +460.69076 5.0 +461.21923 6.0 +462.20451 16.0 +463.22066 7.0 +464.15653 8.0 +466.20502 5.0 +472.24074 6.0 +473.20484 6.0 +473.74973 5.0 +476.28982 8.0 +477.25419 7.0 +478.22972 9.0 +479.27604 7.0 +480.16665 6.0 +481.27314 5.0 +484.31297 9.0 +486.25032 10.0 +487.17861 6.0 +490.19916 35.0 +492.19897 8.0 +493.28722 37.0 +497.28817 6.0 +498.25607 14.0 +499.30809 6.0 +500.24376 8.0 +501.33934 15.0 +504.26006 11.0 +508.28788 6.0 +509.24198 6.0 +511.31073 16.0 +512.72696 5.0 +513.19129 5.0 +520.24883 8.0 +524.71053 5.0 +526.31609 7.0 +528.27077 5.0 +529.31783 495.0 +535.29178 7.0 +539.30787 21.0 +540.29999 5.0 +555.35392 11.0 +556.3058 6.0 +558.67258 7.0 +562.23059 10.0 +565.31972 30.0 +566.45869 5.0 +568.35303 5.0 +570.31264 10.0 +570.74619 5.0 +571.34405 9.0 +579.27657 9.0 +582.34416 42.0 +584.32934 9.0 +587.26823 9.0 +588.17331 6.0 +588.37023 18.0 +589.35805 7.0 +600.35813 855.0 +601.8454 7.0 +603.36198 8.0 +604.35168 7.0 +607.2636 7.0 +608.16899 6.0 +610.34814 15.0 +611.33224 10.0 +613.38401 7.0 +619.35657 7.0 +622.25471 5.0 +626.2706 6.0 +626.63546 6.0 +632.80258 5.0 +648.35366 6.0 +675.4007 5.0 +699.40652 11.0 +713.31779 7.0 +715.4264 5.0 +717.41052 11.0 +729.42216 11.0 +730.42558 8.0 +741.37177 9.0 +746.36364 6.0 +747.43192 480.0 +759.45557 9.0 +818.47776 7.0 +837.37049 10.0 +866.32206 5.0 +890.44768 10.0 +891.44912 7.0 +907.46976 74.0 +960.62528 6.0 +1102.5473 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 19, +MSn(777.8586), 41.7 min +PEPMASS=777.85865999999999 +CHARGE=2+ +196.08025 9.0 +203.07271 11.0 +207.13648 30.0 +208.1441 7.0 +209.11836 25.0 +226.12981 16.0 +230.12404 11.0 +235.13177 275.0 +244.14176 34.0 +245.12736 9.0 +252.16461 12.0 +262.15073 199.0 +264.14468 9.0 +272.13705 8.0 +278.11418 8.0 +301.11712 9.0 +306.17322 40.0 +314.13481 8.0 +322.15457 13.0 +323.11407 73.0 +328.12584 35.0 +332.15644 7.0 +334.15116 9.0 +360.13862 14.0 +362.19337 10.0 +388.19454 9.0 +391.19992 8.0 +409.22262 250.0 +411.22626 10.0 +426.71955 8.0 +435.66592 8.0 +437.19492 148.0 +439.20307 10.0 +440.21441 8.0 +441.19767 8.0 +447.17579 23.0 +448.17772 8.0 +449.1867 13.0 +449.71077 12.0 +450.20295 9.0 +455.40052 8.0 +463.22701 17.0 +464.68834 10.0 +465.19322 342.0 +469.23038 9.0 +471.87744 8.0 +473.69077 12.0 +476.17261 17.0 +479.03329 10.0 +481.75464 10.0 +482.18944 21.0 +483.21739 10.0 +489.4719 7.0 +492.40734 9.0 +492.70286 14.0 +493.19064 10.0 +494.20117 50.0 +501.20893 12.0 +502.27522 9.0 +502.72105 9.0 +505.21772 12.0 +506.19739 38.0 +507.21661 8.0 +508.28477 148.0 +510.28665 9.0 +511.23463 15.0 +514.22989 8.0 +515.20766 74.0 +518.2181 51.0 +520.19261 9.0 +522.26944 12.0 +523.72929 8.0 +524.25047 9.0 +525.14855 10.0 +525.35989 10.0 +532.19323 14.0 +533.22675 9.0 +534.19581 8.0 +536.23085 342.0 +542.24553 13.0 +544.05454 11.0 +544.56998 8.0 +547.20725 19.0 +548.21417 10.0 +549.69922 8.0 +550.27643 13.0 +551.25877 12.0 +552.2544 13.0 +554.23073 8.0 +555.24077 10.0 +558.24605 18.0 +558.61575 11.0 +558.97257 7.0 +559.38075 10.0 +564.57002 9.0 +565.21902 69.0 +567.23319 8.0 +573.75593 14.0 +576.24578 10.0 +577.1698 9.0 +577.3187 8.0 +577.42036 7.0 +580.3037 8.0 +580.6557 12.0 +581.23457 8.0 +583.24217 24.0 +585.7002 8.0 +587.29136 15.0 +588.36599 29.0 +591.17939 13.0 +592.25962 9.0 +592.79794 9.0 +593.26785 21.0 +595.15688 8.0 +598.66343 9.0 +599.37025 11.0 +600.19745 11.0 +601.26614 45.0 +605.29508 62.0 +608.81843 8.0 +609.34853 109.0 +611.26893 19.0 +611.83195 12.0 +613.75424 10.0 +614.30169 821.0 +617.31622 7.0 +618.3096 13.0 +619.29095 382.0 +620.08955 9.0 +620.41966 11.0 +621.15953 8.0 +622.28866 9.0 +625.44587 10.0 +629.27415 105.0 +636.30175 13.0 +637.30308 12.0 +639.29096 10.0 +640.82079 8.0 +641.29669 15.0 +644.81675 9.0 +645.31704 20.0 +645.83332 8.0 +646.28525 38.0 +653.82423 199.0 +653.97794 9.0 +655.81937 9.0 +662.32632 16.0 +662.82877 2097.0 +666.31412 12.0 +668.2808 11.0 +669.2735 17.0 +676.27186 12.0 +677.31667 10.0 +678.26474 8.0 +679.23575 20.0 +681.24377 8.0 +682.32338 13.0 +683.3113 9.0 +690.80277 7.0 +694.30902 8.0 +695.83018 9.0 +696.37767 154.0 +697.56097 8.0 +698.29347 48.0 +702.30953 17.0 +712.84782 16.0 +713.33667 11.0 +714.34669 12.0 +716.30934 65.0 +718.33289 8.0 +720.3432 48.0 +725.82778 9.0 +733.69613 14.0 +747.13895 9.0 +756.30554 10.0 +768.30913 11.0 +769.35381 21.0 +769.83221 13.0 +769.96092 9.0 +773.34733 23.0 +773.57507 9.0 +774.48989 9.0 +777.86012 281.0 +781.33215 40.0 +789.36752 10.0 +799.35713 102.0 +802.37489 9.0 +803.36097 10.0 +815.4223 7.0 +817.36041 80.0 +818.53762 8.0 +829.39825 7.0 +831.34195 13.0 +841.35437 8.0 +859.44592 120.0 +861.35136 16.0 +870.43036 8.0 +871.42696 8.0 +888.43323 12.0 +889.44452 8.0 +892.6132 8.0 +898.42846 103.0 +909.4101 9.0 +916.44872 47.0 +921.44783 8.0 +928.45028 13.0 +946.37079 37.0 +977.39797 8.0 +1003.39573 8.0 +1011.40757 20.0 +1013.40779 9.0 +1019.48658 222.0 +1029.40805 72.0 +1035.51009 16.0 +1039.03882 8.0 +1047.42833 21.0 +1048.4224 10.0 +1063.52328 18.0 +1064.50412 15.0 +1072.5168 10.0 +1074.53446 11.0 +1081.45801 8.0 +1082.47673 8.0 +1090.53201 279.0 +1090.81868 10.0 +1121.50502 18.0 +1122.50586 9.0 +1128.48097 16.0 +1129.48574 16.0 +1141.09657 9.0 +1146.50206 19.0 +1147.49601 16.0 +1178.53449 16.0 +1179.53598 12.0 +1227.59313 21.0 +1228.60782 9.0 +1229.58548 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 20, +MSn(518.9086), 42.1 min +PEPMASS=518.90859999999998 +CHARGE=3+ +195.0896 23.0 +198.03624 19.0 +199.11152 17.0 +201.13073 219.0 +203.07771 602.0 +205.11048 30.0 +206.10097 23.0 +207.13724 211.0 +209.11236 307.0 +215.06095 29.0 +217.10944 99.0 +219.15885 104.0 +219.61272 98.0 +223.11827 34.0 +224.15112 100.0 +226.12881 248.0 +231.07833 592.0 +233.60396 65.0 +235.13106 1794.0 +243.1362 16.0 +244.13293 353.0 +247.15064 64.0 +251.11415 48.0 +252.14667 125.0 +254.6509 77.0 +259.12855 26.0 +259.61782 158.0 +260.1233 120.0 +262.15105 1695.0 +267.66023 52.0 +268.6198 15.0 +270.15055 338.0 +277.13603 130.0 +278.12335 160.0 +283.11209 16.0 +285.61831 20.0 +286.16715 18.0 +287.61925 17.0 +288.15806 159.0 +292.1272 86.0 +294.13024 18.0 +296.12261 83.0 +301.14147 102.0 +303.13104 67.0 +304.13915 74.0 +305.16961 73.0 +306.16855 426.0 +308.12776 27.0 +310.12555 75.0 +313.15714 17.0 +313.65411 38.0 +314.15439 23.0 +315.1281 81.0 +316.62717 15.0 +317.12414 82.0 +318.63797 27.0 +321.12737 104.0 +321.66585 16.0 +323.19678 197.0 +324.12917 61.0 +325.63795 101.0 +327.64852 97.0 +330.19032 54.0 +330.68249 216.0 +332.15139 34.0 +334.14646 233.0 +334.64257 392.0 +339.63839 67.0 +341.15545 60.0 +342.64697 31.0 +347.13424 17.0 +348.20917 26.0 +348.68624 274.0 +350.14448 207.0 +350.66152 19.0 +357.18752 16.0 +358.1773 28.0 +358.65766 451.0 +361.66763 36.0 +362.17149 218.0 +368.15385 20.0 +369.15089 143.0 +370.66837 177.0 +373.19968 22.0 +374.1802 19.0 +375.18076 189.0 +376.16516 141.0 +377.64752 18.0 +378.66229 18.0 +384.66806 46.0 +386.17504 133.0 +390.21188 18.0 +391.20269 148.0 +393.66498 148.0 +395.1549 37.0 +396.16715 36.0 +397.14652 260.0 +397.87111 21.0 +398.65844 19.0 +400.17991 123.0 +402.14713 17.0 +403.19376 30.0 +405.16164 34.0 +406.17832 23.0 +407.16541 194.0 +409.22051 1982.0 +410.22504 608.0 +410.68581 16.0 +412.17071 17.0 +415.18314 25.0 +416.17571 881.0 +419.19378 35.0 +420.18615 30.0 +421.19636 93.0 +424.22449 24.0 +426.70665 284.0 +430.21321 149.0 +430.54066 152.0 +432.2242 18.0 +433.21542 40.0 +435.22873 83.0 +436.21364 94.0 +437.19803 150.0 +437.68656 16.0 +438.20537 877.0 +438.7315 16.0 +440.69018 31.0 +442.66535 25.0 +443.18984 16.0 +443.6904 20.0 +445.21672 18.0 +447.18328 354.0 +447.65888 18.0 +448.70368 23.0 +449.70622 93.0 +451.18751 122.0 +453.21017 16.0 +456.18301 16.0 +457.20689 24.0 +457.68709 22.0 +458.19287 30.0 +458.51945 16.0 +459.69353 21.0 +460.19008 23.0 +462.17648 16.0 +463.21902 182.0 +464.18581 105.0 +465.19 793.0 +466.20166 2277.0 +466.69704 18.0 +472.20169 20.0 +473.23673 53.0 +473.69585 166.0 +476.19455 181.0 +477.89761 20.0 +481.20352 108.0 +482.7216 17.0 +483.22856 543.0 +483.7078 19.0 +487.56417 21.0 +488.27522 32.0 +489.21795 29.0 +490.21579 135.0 +492.2279 98.0 +493.22133 57.0 +494.20008 178.0 +500.21276 23.0 +500.74568 22.0 +501.20682 216.0 +501.71571 24.0 +504.22431 136.0 +506.21368 113.0 +508.29082 2439.0 +509.86723 15.0 +510.705 17.0 +511.72627 27.0 +512.21191 37.0 +512.76475 21.0 +513.2008 20.0 +514.22506 76.0 +515.24029 182.0 +515.72755 24.0 +518.21978 447.0 +524.22707 33.0 +525.22026 15.0 +528.24341 16.0 +530.23615 27.0 +531.23465 16.0 +532.22911 250.0 +532.75392 23.0 +535.23783 68.0 +536.23396 1728.0 +541.73743 155.0 +544.24851 20.0 +545.22419 70.0 +547.22572 155.0 +550.26755 128.0 +553.25047 311.0 +558.24016 36.0 +559.24185 24.0 +560.2243 68.0 +561.69428 16.0 +563.24913 35.0 +564.22671 17.0 +565.2478 182.0 +568.79351 16.0 +570.22398 41.0 +573.2726 36.0 +574.27989 24.0 +575.24685 127.0 +580.29595 34.0 +581.24112 191.0 +583.24549 309.0 +587.24448 37.0 +588.24015 31.0 +589.23925 15.0 +590.25855 26.0 +591.33332 164.0 +592.25901 238.0 +593.70801 15.0 +596.2915 485.0 +599.27105 19.0 +600.22894 31.0 +601.27567 893.0 +601.77795 37.0 +605.27222 586.0 +608.25719 42.0 +609.34641 2880.0 +613.26335 19.0 +614.30259 1866.0 +617.31958 22.0 +618.28269 37.0 +619.28921 723.0 +623.25343 31.0 +624.31773 23.0 +625.28476 25.0 +626.29557 19.0 +627.29255 19.0 +629.27231 870.0 +633.24101 108.0 +635.8114 19.0 +636.26125 238.0 +639.81747 19.0 +640.47702 18.0 +641.30482 17.0 +642.2977 15.0 +643.32064 905.0 +644.81522 454.0 +648.30037 32.0 +650.26863 109.0 +652.34716 30.0 +653.28223 45.0 +653.81682 273.0 +654.28976 191.0 +659.30694 18.0 +660.35771 518.0 +661.23188 217.0 +662.82715 1251.0 +665.29986 91.0 +668.27786 643.0 +674.28425 27.0 +676.29551 19.0 +677.3257 19.0 +678.26951 551.0 +678.81172 18.0 +680.82737 16.0 +683.29949 33.0 +684.28667 108.0 +688.31787 62.0 +692.29287 106.0 +696.29075 1129.0 +696.36519 2096.0 +698.29502 703.0 +702.29753 136.0 +708.29497 20.0 +710.27948 22.0 +711.33085 18.0 +712.28977 28.0 +713.31837 37.0 +714.30634 18.0 +715.75184 18.0 +716.30805 397.0 +720.31387 72.0 +721.29704 31.0 +722.31908 27.0 +723.3357 24.0 +725.33063 28.0 +726.32186 17.0 +727.30585 23.0 +730.31525 21.0 +731.31317 21.0 +734.31224 27.0 +738.2862 76.0 +740.32946 78.0 +744.30609 37.0 +749.35425 80.0 +755.32369 24.0 +756.33056 28.0 +765.29342 70.0 +768.32884 189.0 +771.3428 53.0 +773.34238 138.0 +781.33924 293.0 +789.3723 38.0 +791.37186 67.0 +796.31212 16.0 +799.35255 638.0 +811.35777 32.0 +813.32355 83.0 +817.43374 170.0 +819.36741 182.0 +823.41643 62.0 +829.38099 23.0 +831.34415 199.0 +841.32939 32.0 +841.45058 30.0 +842.34653 22.0 +843.35891 16.0 +843.55094 17.0 +853.42021 17.0 +859.41915 396.0 +870.42142 15.0 +871.40898 17.0 +872.4197 30.0 +880.40592 37.0 +881.40775 16.0 +888.43696 66.0 +898.40517 188.0 +908.40356 17.0 +916.42546 197.0 +928.35827 195.0 +946.38443 92.0 +966.46553 29.0 +983.4713 26.0 +1001.46149 25.0 +1002.46989 15.0 +1011.40748 26.0 +1012.41002 18.0 +1013.41532 15.0 +1019.48789 272.0 +1029.41261 38.0 +1030.40604 21.0 +1054.50249 77.0 +1063.49971 28.0 +1064.48532 20.0 +1072.50194 28.0 +1074.51418 18.0 +1081.46771 23.0 +1082.47137 19.0 +1090.52665 443.0 +1178.52928 18.0 +END IONS +BEGIN IONS +TITLE=Cmpd 21, +MSn(464.2672), 42.6 min +PEPMASS=464.26724000000002 +CHARGE=2+ +195.1175 13.0 +196.12279 12.0 +197.14015 183.0 +200.84699 10.0 +201.12007 27.0 +202.10046 254.0 +204.14896 345.0 +206.10679 15.0 +207.11816 16.0 +209.11796 29.0 +210.14413 13.0 +211.12763 187.0 +214.13037 35.0 +215.1532 782.0 +219.15945 102.0 +220.10956 40.0 +221.11622 11.0 +225.13814 80.0 +226.14816 16.0 +228.15117 23.0 +228.96816 15.0 +229.14177 2037.0 +238.17977 12.0 +239.13256 12.0 +240.13875 16.0 +243.14689 280.0 +246.16663 863.0 +248.02405 11.0 +248.91884 18.0 +249.1723 4027.0 +249.57082 18.0 +249.68686 10.0 +249.76807 12.0 +250.53842 10.0 +251.41609 9.0 +253.13124 14.0 +253.63824 11.0 +254.13039 54.0 +255.13607 10.0 +256.1536 40.0 +257.13858 10.0 +258.13489 23.0 +259.14878 28.0 +260.14463 19.0 +265.13069 2414.0 +265.32105 10.0 +265.52447 11.0 +268.18033 39.0 +269.15153 12.0 +271.17785 23.0 +275.14755 49.0 +276.09944 62.0 +277.1673 1148.0 +282.13994 14.0 +287.15175 23.0 +288.1497 13.0 +292.8266 11.0 +293.12644 4007.0 +293.41102 14.0 +293.52944 11.0 +293.81588 10.0 +296.17656 142.0 +298.22708 15.0 +299.2145 27.0 +300.19289 12.0 +303.12657 23.0 +304.15358 11.0 +306.13754 27.0 +307.18665 19.0 +310.15846 10.0 +312.16919 19.0 +313.21811 16.0 +314.18339 87.0 +315.20305 18.0 +317.2324 57.0 +318.12304 18.0 +319.15071 16.0 +320.14533 12.0 +321.17295 45.0 +322.1578 18.0 +324.2052 68.0 +325.19632 50.0 +326.1923 11.0 +327.20625 21.0 +327.6031 10.0 +328.19951 11.0 +329.21216 11.0 +330.19751 18.0 +341.24279 30.0 +342.22625 707.0 +344.1986 10.0 +347.24047 18.0 +348.21168 30.0 +352.21174 16.0 +357.22518 21.0 +358.18791 30.0 +359.25412 1887.0 +364.16358 15.0 +367.21433 19.0 +369.23086 24.0 +370.21746 22.0 +371.18498 12.0 +375.18512 10.0 +376.20205 36.0 +377.21854 14.0 +378.21539 45.0 +379.21273 10.0 +382.25133 19.0 +383.19668 16.0 +388.19895 115.0 +392.20802 30.0 +393.22239 12.0 +394.16896 10.0 +395.21011 15.0 +406.2127 973.0 +410.24787 15.0 +411.2251 11.0 +413.25452 15.0 +416.20844 18.0 +426.26271 10.0 +428.26673 25.0 +429.26607 12.0 +431.24475 18.0 +432.21907 23.0 +433.19181 31.0 +434.19447 10.0 +435.19018 10.0 +436.24233 23.0 +437.22759 22.0 +440.24564 11.0 +441.23226 20.0 +442.2931 21.0 +446.28133 32.0 +447.28079 16.0 +449.25362 21.0 +450.22528 14.0 +451.24846 11.0 +452.26097 16.0 +453.26078 155.0 +458.27351 24.0 +459.25499 23.0 +460.23431 16.0 +461.24912 13.0 +467.54627 10.0 +469.18396 10.0 +469.9515 10.0 +470.28297 968.0 +476.28241 43.0 +477.2543 197.0 +481.23911 11.0 +483.25429 9.0 +485.29583 231.0 +487.76842 10.0 +488.3002 2906.0 +488.81717 14.0 +489.58665 10.0 +492.25226 10.0 +493.25061 13.0 +494.27488 13.0 +498.28348 47.0 +499.30268 15.0 +504.22977 67.0 +505.26667 18.0 +506.25899 19.0 +508.27947 16.0 +516.28429 11.0 +519.29915 40.0 +520.30146 25.0 +521.26574 16.0 +526.30293 10.0 +527.30986 11.0 +544.31299 188.0 +562.34518 11.0 +569.29264 10.0 +571.28563 12.0 +572.33914 19.0 +573.32523 19.0 +575.3613 10.0 +587.42592 9.0 +588.33085 19.0 +589.31682 38.0 +590.33003 21.0 +591.33275 28.0 +592.34922 13.0 +597.26493 10.0 +598.3373 12.0 +599.29449 15.0 +605.36566 48.0 +606.3644 27.0 +607.37582 19.0 +609.34399 51.0 +610.35001 13.0 +615.34709 46.0 +616.33118 112.0 +617.32254 152.0 +633.36053 75.0 +634.34617 451.0 +649.36768 14.0 +650.37208 13.0 +650.60023 14.0 +650.9348 15.0 +651.37037 6538.0 +651.88717 17.0 +652.86927 10.0 +653.07815 14.0 +653.6101 10.0 +655.36396 10.0 +661.35753 45.0 +662.3649 24.0 +682.99141 10.0 +705.37396 15.0 +718.44683 13.0 +719.44613 10.0 +722.44052 19.0 +729.43756 21.0 +730.40765 19.0 +731.42425 10.0 +746.4415 23.0 +747.43653 40.0 +748.4404 10.0 +749.44533 10.0 +763.42638 9.0 +764.45951 1413.0 +774.42915 20.0 +775.46938 9.0 +876.17223 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 22, +MSn(593.6321), 43.2 min +PEPMASS=593.63208999999995 +CHARGE=3+ +195.1087 10.0 +198.09843 22.0 +199.08138 28.0 +202.09854 15.0 +209.14789 17.0 +212.11033 11.0 +216.11195 342.0 +225.14045 11.0 +226.13273 9.0 +237.14372 35.0 +238.1338 10.0 +239.1296 28.0 +240.11204 131.0 +242.16125 83.0 +246.18336 85.0 +249.16951 152.0 +254.16542 10.0 +256.15693 12.0 +257.13365 77.0 +259.30774 10.0 +264.14374 12.0 +267.12093 37.0 +274.15177 37.0 +277.16442 117.0 +288.15762 12.0 +289.11758 20.0 +292.10797 12.0 +294.18803 15.0 +296.67238 26.0 +301.31391 11.0 +302.14841 13.0 +309.14147 29.0 +310.66718 61.0 +313.64868 12.0 +319.18679 44.0 +326.15561 18.0 +327.14376 26.0 +331.19072 16.0 +334.14598 41.0 +344.14447 16.0 +348.66112 10.0 +352.18321 13.0 +353.1896 14.0 +355.12802 16.0 +357.23553 13.0 +360.17103 64.0 +362.15471 31.0 +366.18534 66.0 +370.21612 19.0 +372.15772 11.0 +373.17497 10.0 +374.70053 47.0 +378.1715 11.0 +379.1788 244.0 +382.14781 73.0 +383.25477 104.0 +387.19977 46.0 +393.66305 11.0 +399.17451 10.0 +400.14251 45.0 +402.14792 10.0 +405.22556 98.0 +410.14435 9.0 +417.17378 18.0 +423.25145 15.0 +427.25342 11.0 +428.2009 18.0 +429.19767 12.0 +433.21569 12.0 +433.69818 10.0 +434.68425 13.0 +434.81339 9.0 +436.23628 577.0 +437.71763 10.0 +439.23682 10.0 +441.24841 16.0 +443.17617 12.0 +445.71952 10.0 +447.2401 24.0 +448.24724 10.0 +448.68942 20.0 +449.24264 10.0 +450.23666 16.0 +450.76986 15.0 +452.19352 19.0 +452.9187 9.0 +453.21897 61.0 +457.23281 34.0 +461.21429 11.0 +462.22902 17.0 +464.26868 39.0 +467.22006 19.0 +468.48392 11.0 +469.14669 10.0 +470.25192 11.0 +471.22601 10.0 +472.69305 10.0 +473.19221 23.0 +474.24047 19.0 +474.89903 9.0 +475.24339 104.0 +475.75449 14.0 +476.74247 14.0 +481.22208 77.0 +483.31554 13.0 +483.73508 10.0 +484.21038 11.0 +485.22334 13.0 +488.29003 38.0 +488.70095 14.0 +489.21752 130.0 +489.87299 10.0 +490.22004 40.0 +492.26671 334.0 +497.21363 16.0 +498.22333 13.0 +499.2256 16.0 +501.23418 54.0 +504.20526 31.0 +505.28543 12.0 +506.23366 13.0 +507.12789 11.0 +507.24181 102.0 +509.25962 62.0 +512.29805 439.0 +512.72312 98.0 +516.25388 301.0 +516.60344 11.0 +517.10295 10.0 +518.19448 17.0 +518.71147 10.0 +520.21329 88.0 +526.77115 13.0 +528.7437 10.0 +529.24 127.0 +533.29196 164.0 +536.80887 12.0 +538.1968 14.0 +539.28926 15.0 +542.74754 13.0 +543.29266 19.0 +544.28586 11.0 +548.25704 17.0 +548.73348 10.0 +549.26234 20.0 +550.31433 61.0 +553.26437 13.0 +556.25344 14.0 +557.24436 40.0 +558.9463 16.0 +559.27455 10.0 +561.25143 17.0 +562.2528 80.0 +565.24991 57.0 +567.72706 10.0 +571.27757 83.0 +571.77363 193.0 +574.27684 14.0 +575.28866 12.0 +575.71228 10.0 +578.2479 10.0 +580.28054 71.0 +582.27051 35.0 +585.28219 48.0 +588.3731 13.0 +590.2869 16.0 +590.89443 14.0 +591.34018 11.0 +592.34273 18.0 +592.46922 11.0 +593.70529 10.0 +594.29017 15.0 +598.28273 286.0 +602.31819 36.0 +603.29698 85.0 +608.28282 66.0 +614.22985 9.0 +617.28927 13.0 +618.28453 31.0 +620.32708 162.0 +624.28158 12.0 +625.29688 20.0 +626.28178 353.0 +626.79168 124.0 +627.05192 11.0 +627.31425 617.0 +627.94479 11.0 +630.43044 14.0 +632.0931 15.0 +632.25215 13.0 +635.31109 579.0 +643.31781 16.0 +644.31689 182.0 +648.30241 11.0 +649.25896 52.0 +651.36655 94.0 +656.28422 35.0 +657.06426 10.0 +665.33833 18.0 +667.34878 14.0 +676.29733 22.0 +680.31812 12.0 +683.34825 26.0 +683.8504 11.0 +692.36234 16.0 +692.84741 10.0 +693.33107 100.0 +697.35137 136.0 +700.85886 74.0 +701.37568 28.0 +706.36323 16.0 +707.33848 11.0 +709.48372 11.0 +713.3593 15.0 +715.34149 11.0 +725.35229 467.0 +730.37169 49.0 +741.28727 16.0 +742.34033 12.0 +743.36144 27.0 +748.39379 96.0 +750.37056 9.0 +756.38206 25.0 +757.39937 10.0 +758.32297 67.0 +761.30794 10.0 +764.45913 14.0 +765.42605 14.0 +767.3335 11.0 +769.29678 22.0 +774.40279 345.0 +774.88637 11.0 +777.31096 13.0 +778.34657 11.0 +782.39245 86.0 +782.57865 9.0 +784.38719 14.0 +785.40332 11.0 +786.32205 82.0 +796.34608 14.0 +803.97472 9.0 +804.36405 14.0 +818.45899 11.0 +843.54799 11.0 +853.45507 62.0 +857.3806 12.0 +868.35708 12.0 +869.43445 13.0 +870.45616 17.0 +870.6046 13.0 +871.46529 1695.0 +880.40861 11.0 +885.39058 68.0 +897.35472 19.0 +908.43001 11.0 +909.44324 16.0 +912.34473 11.0 +918.97107 10.0 +985.47626 10.0 +996.4629 15.0 +1013.47635 75.0 +1026.41302 12.0 +1031.50048 264.0 +1141.54405 17.0 +1142.53998 80.0 +1159.55381 46.0 +1270.57878 10.0 +1385.69102 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 23, +MSn(927.5184), 43.6 min +PEPMASS=927.51835000000005 +CHARGE=1+ +201.11306 10.0 +205.10518 15.0 +221.11321 11.0 +223.16125 11.0 +228.08319 12.0 +229.13968 12.0 +243.11124 128.0 +247.11997 22.0 +248.14815 10.0 +250.17064 19.0 +259.12134 14.0 +260.06008 11.0 +261.13103 32.0 +262.10325 10.0 +265.14051 11.0 +267.15036 10.0 +276.14081 54.0 +285.12611 11.0 +293.13117 20.0 +298.11702 12.0 +300.16425 27.0 +304.14974 16.0 +305.14003 28.0 +315.16245 12.0 +317.18312 12.0 +318.19521 14.0 +323.19612 10.0 +332.13184 14.0 +334.17211 28.0 +350.16071 22.0 +357.18784 15.0 +359.25718 25.0 +360.254 13.0 +363.1985 10.0 +368.17754 22.0 +369.25107 10.0 +380.17627 11.0 +380.98407 10.0 +385.19752 21.0 +391.17343 10.0 +394.09204 10.0 +403.22962 10.0 +407.16609 20.0 +408.20597 22.0 +411.2152 12.0 +419.32116 16.0 +420.24632 10.0 +424.23598 14.0 +429.22399 11.0 +431.22202 10.0 +434.23851 14.0 +435.22591 10.0 +447.21227 21.0 +448.1953 13.0 +452.20238 29.0 +455.72744 11.0 +457.22473 15.0 +457.80276 14.0 +461.25796 11.0 +462.23988 13.0 +463.22536 55.0 +465.22021 98.0 +468.24929 13.0 +469.23257 10.0 +470.30319 10.0 +471.26926 13.0 +472.29116 10.0 +475.23892 73.0 +479.22029 13.0 +481.22832 24.0 +482.22057 10.0 +483.27412 10.0 +486.27603 20.0 +488.30369 11.0 +491.18508 10.0 +491.33451 10.0 +492.26491 30.0 +493.25232 13.0 +496.2369 97.0 +500.21272 15.0 +504.30998 10.0 +506.2564 10.0 +507.2561 17.0 +508.23726 20.0 +511.27294 20.0 +512.11686 10.0 +514.25033 16.0 +519.29186 32.0 +519.4289 15.0 +520.26557 85.0 +521.42347 14.0 +524.2693 23.0 +526.24755 79.0 +528.26079 18.0 +529.09935 14.0 +529.26375 15.0 +530.23929 11.0 +533.30018 10.0 +535.53252 13.0 +536.23042 11.0 +537.06229 13.0 +537.29782 17.0 +538.30038 15.0 +541.29994 43.0 +543.33441 10.0 +546.27724 23.0 +548.24542 16.0 +552.24235 10.0 +554.24329 115.0 +559.35187 11.0 +564.28923 16.0 +564.57201 13.0 +565.27766 18.0 +565.72294 12.0 +566.15485 13.0 +566.28123 26.0 +569.28458 152.0 +569.68626 10.0 +572.67521 15.0 +576.27885 18.0 +577.40614 10.0 +577.73346 12.0 +581.25961 11.0 +581.35085 12.0 +581.62469 13.0 +584.67312 14.0 +585.29882 10.0 +589.30334 11.0 +592.29863 11.0 +593.24365 10.0 +593.64693 10.0 +594.33155 23.0 +597.93255 25.0 +599.27803 10.0 +609.32575 12.0 +610.30709 28.0 +611.27362 109.0 +620.57287 13.0 +621.32201 15.0 +622.31917 85.0 +625.30619 13.0 +625.72056 13.0 +628.29408 159.0 +631.29776 66.0 +633.30303 10.0 +634.34792 19.0 +637.28092 15.0 +639.33293 139.0 +641.47357 14.0 +649.33674 92.0 +649.63409 11.0 +649.82809 12.0 +652.70012 10.0 +653.3948 16.0 +653.88355 13.0 +654.35836 28.0 +655.37199 12.0 +656.87151 10.0 +657.83167 14.0 +665.31059 12.0 +666.34562 12.0 +667.33225 137.0 +669.18595 10.0 +673.38667 14.0 +679.35162 12.0 +679.95217 12.0 +682.36183 26.0 +683.32385 15.0 +684.35814 18.0 +685.37613 10.0 +686.61908 16.0 +703.12207 10.0 +712.46693 14.0 +713.44712 24.0 +717.41424 10.0 +723.35674 12.0 +732.33477 11.0 +737.22645 11.0 +739.4706 11.0 +744.37209 11.0 +748.42109 12.0 +751.39183 14.0 +756.46029 14.0 +757.35518 14.0 +761.3667 13.0 +767.40982 20.0 +768.4762 20.0 +770.34837 10.0 +777.38176 19.0 +778.38629 19.0 +779.35403 16.0 +795.39329 74.0 +814.35481 22.0 +815.35314 14.0 +817.46665 10.0 +821.47846 15.0 +840.59954 19.0 +871.10439 13.0 +872.42338 11.0 +875.40711 15.0 +883.52743 12.0 +891.44506 12.0 +892.43868 14.0 +893.39316 18.0 +909.44748 14.0 +910.48361 44.0 +912.18861 10.0 +925.22474 10.0 +925.51435 36.0 +926.59607 10.0 +927.52805 2699.0 +928.15429 11.0 +928.28483 14.0 +928.92919 20.0 +929.23102 19.0 +1017.44525 10.0 +1047.91236 15.0 +1206.77904 33.0 +1206.99932 12.0 +1207.89223 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 24, +MSn(653.3854), 43.6 min +PEPMASS=653.38541999999995 +CHARGE=2+ +199.19284 35.0 +200.15076 66.0 +206.13456 222.0 +213.17315 23.0 +215.12042 23.0 +216.11292 22.0 +219.12621 45.0 +221.14525 13.0 +223.16766 1629.0 +223.3189 11.0 +226.1314 403.0 +234.13562 58.0 +236.15018 95.0 +239.15579 14.0 +242.19613 37.0 +243.14513 50.0 +244.52194 11.0 +245.09159 42.0 +245.18737 17.0 +249.14204 25.0 +251.16189 1514.0 +260.20948 276.0 +270.18934 13.0 +278.13155 15.0 +282.1232 11.0 +288.65304 33.0 +295.15173 32.0 +303.15622 12.0 +304.22776 21.0 +311.18641 20.0 +312.18592 106.0 +323.15169 121.0 +328.20029 70.0 +328.31866 11.0 +332.22107 609.0 +336.68376 16.0 +337.17028 102.0 +340.17524 505.0 +344.16157 49.0 +345.70111 33.0 +346.19267 105.0 +350.2316 240.0 +354.70098 351.0 +357.2082 63.0 +366.19103 14.0 +373.29925 108.0 +382.15052 12.0 +384.20359 23.0 +387.71665 12.0 +389.18214 12.0 +391.21042 22.0 +392.20483 11.0 +392.73413 12.0 +395.2177 13.0 +396.2145 29.0 +396.71352 19.0 +401.21573 24.0 +406.19908 17.0 +409.2204 18.0 +410.21857 203.0 +412.23105 13.0 +413.21903 11.0 +420.24782 13.0 +423.22105 32.0 +424.2085 18.0 +425.2682 97.0 +427.71159 14.0 +434.19938 23.0 +435.25688 22.0 +435.72807 32.0 +436.23612 90.0 +440.24312 15.0 +440.71969 42.0 +441.2163 106.0 +444.73439 101.0 +447.24146 87.0 +449.73181 81.0 +451.21668 164.0 +453.25974 729.0 +454.25849 233.0 +457.25575 39.0 +458.23232 291.0 +463.22346 18.0 +464.25349 15.0 +465.26085 760.0 +467.24267 634.0 +469.24962 58.0 +470.30231 195.0 +472.22713 18.0 +474.22685 14.0 +475.25059 21.0 +477.24773 29.0 +478.23464 14.0 +480.21787 15.0 +481.2306 106.0 +485.30017 26.0 +486.28841 13.0 +487.33929 582.0 +491.28 15.0 +492.24808 24.0 +492.76422 18.0 +493.26607 13.0 +495.24408 131.0 +500.77994 14.0 +501.27703 22.0 +501.77481 22.0 +502.28375 13.0 +504.30129 26.0 +505.26095 29.0 +506.27183 12.0 +507.30113 15.0 +508.28107 23.0 +509.26943 26.0 +510.25714 15.0 +513.28706 12.0 +514.27216 11.0 +514.77719 17.0 +515.27361 18.0 +517.78595 24.0 +518.29651 23.0 +519.28152 62.0 +521.04951 13.0 +521.30954 181.0 +522.79221 15.0 +523.78844 337.0 +531.27556 13.0 +531.77201 23.0 +532.28304 99.0 +536.29515 72.0 +538.34961 172.0 +539.23525 22.0 +540.26284 13.0 +541.29223 22.0 +543.292 23.0 +545.28076 14.0 +546.32092 14.0 +547.29615 21.0 +548.30171 58.0 +549.3138 210.0 +551.29995 133.0 +554.31198 80.0 +558.29045 14.0 +559.27871 11.0 +561.25216 17.0 +562.32824 27.0 +563.36106 15.0 +564.29834 379.0 +565.80974 18.0 +566.32778 552.0 +569.28395 230.0 +574.31752 15.0 +576.29881 256.0 +579.30122 107.0 +581.32126 24.0 +582.3229 228.0 +584.25661 229.0 +586.3392 11.0 +588.32931 19.0 +589.85157 12.0 +590.33008 22.0 +591.32402 21.0 +592.29502 89.0 +594.30966 2621.0 +595.06036 12.0 +595.74302 15.0 +598.37488 124.0 +601.3052 14.0 +604.30898 13.0 +606.29362 13.0 +608.35318 14.0 +613.37113 15.0 +615.40393 111.0 +617.30621 12.0 +618.34444 17.0 +619.3465 11.0 +620.30072 23.0 +621.34387 34.0 +622.34485 22.0 +625.38676 75.0 +631.35865 13.0 +632.34444 108.0 +637.35086 30.0 +638.30817 126.0 +644.3514 126.0 +644.86614 104.0 +649.3546 41.0 +650.34865 114.0 +653.38225 577.0 +656.33042 20.0 +660.37652 29.0 +661.33259 25.0 +662.35509 130.0 +665.39365 47.0 +666.29294 114.0 +667.37418 69.0 +669.34597 81.0 +672.36531 16.0 +673.36187 26.0 +674.36544 12.0 +675.38894 15.0 +677.4152 57.0 +678.37754 108.0 +680.32338 125.0 +682.11431 12.0 +682.36409 54.0 +683.32638 253.0 +689.35185 14.0 +690.37428 37.0 +691.37806 236.0 +695.42996 302.0 +697.34488 465.0 +703.41265 29.0 +707.38426 27.0 +708.3936 109.0 +710.44487 178.0 +712.46063 1749.0 +713.11968 13.0 +717.38902 12.0 +723.37387 13.0 +726.41896 19.0 +728.45626 20.0 +734.38198 16.0 +751.39333 84.0 +761.37186 28.0 +762.38144 25.0 +765.40368 31.0 +768.40756 62.0 +774.40193 12.0 +775.40193 11.0 +778.40451 29.0 +779.38989 190.0 +787.41404 15.0 +789.39437 11.0 +791.4453 31.0 +792.42989 36.0 +793.41009 79.0 +796.41325 512.0 +801.41626 100.0 +804.42289 27.0 +805.46503 12.0 +806.43778 24.0 +807.4264 17.0 +808.4366 11.0 +810.42497 94.0 +817.41897 26.0 +818.43548 25.0 +819.42987 848.0 +823.49117 281.0 +834.40789 32.0 +836.45107 14.0 +840.49263 12.0 +841.50433 455.0 +847.47516 11.0 +864.46315 23.0 +865.49766 14.0 +871.46496 21.0 +874.45088 20.0 +875.46409 16.0 +881.50608 14.0 +888.46151 104.0 +892.48812 97.0 +898.44001 14.0 +905.51219 114.0 +909.49892 179.0 +915.45737 181.0 +922.51404 13.0 +925.51199 16.0 +931.4673 12.0 +932.47669 18.0 +933.47807 807.0 +939.52648 23.0 +940.51614 16.0 +954.52634 20.0 +956.53885 503.0 +957.76768 14.0 +966.51733 16.0 +967.52596 12.0 +1000.53672 14.0 +1001.53009 18.0 +1002.54555 30.0 +1003.55578 14.0 +1018.57194 113.0 +1029.54221 18.0 +1030.54551 15.0 +1031.55365 12.0 +1037.58957 18.0 +1038.58208 47.0 +1039.59026 16.0 +1044.5502 16.0 +1046.56959 284.0 +1053.59687 25.0 +1054.60632 14.0 +1055.61119 763.0 +1151.64385 11.0 +1159.66294 15.0 +1166.69147 11.0 +1168.70148 200.0 +END IONS +BEGIN IONS +TITLE=Cmpd 25, +MSn(645.8790), 44.0 min +PEPMASS=645.87899000000004 +CHARGE=2+ +196.15564 8.0 +197.16254 11.0 +198.13686 13.0 +199.18888 16.0 +200.14532 12.0 +206.13862 63.0 +208.15263 164.0 +210.10067 9.0 +211.13173 12.0 +214.13857 10.0 +215.12265 36.0 +217.09451 14.0 +221.1436 60.0 +223.16479 34.0 +224.12132 35.0 +226.13069 245.0 +234.13518 106.0 +236.15243 410.0 +240.11923 9.0 +242.20242 20.0 +243.12113 72.0 +246.09576 9.0 +251.16169 34.0 +256.13721 10.0 +258.1928 17.0 +260.20889 127.0 +267.14751 9.0 +271.11364 22.0 +278.12709 9.0 +280.14049 9.0 +290.16189 17.0 +291.19221 11.0 +295.15483 12.0 +296.20799 10.0 +301.19739 13.0 +312.17975 27.0 +313.20121 9.0 +314.18049 10.0 +315.18826 9.0 +315.68326 12.0 +323.15025 105.0 +328.21068 31.0 +330.16235 9.0 +332.21833 19.0 +335.21875 114.0 +337.18052 32.0 +338.16984 90.0 +338.68935 19.0 +340.17704 331.0 +344.16077 28.0 +346.1854 12.0 +347.20191 119.0 +354.18828 16.0 +355.18751 13.0 +356.21376 76.0 +356.73323 48.0 +365.79266 9.0 +367.18624 9.0 +368.18693 10.0 +371.27867 16.0 +372.20016 15.0 +373.29169 59.0 +378.16556 11.0 +384.24373 11.0 +393.71027 11.0 +394.20719 9.0 +402.21838 11.0 +402.71639 52.0 +406.21078 12.0 +408.23819 16.0 +414.35317 14.0 +419.22647 9.0 +423.23792 32.0 +425.26837 98.0 +428.26956 10.0 +429.19993 14.0 +430.23541 15.0 +433.21436 39.0 +435.224 71.0 +437.78601 9.0 +439.2544 23.0 +441.22378 27.0 +441.52034 11.0 +442.25402 8.0 +443.22801 10.0 +443.33331 10.0 +444.2323 10.0 +445.22156 9.0 +447.18902 11.0 +447.71124 8.0 +448.23135 34.0 +449.72424 8.0 +450.24464 378.0 +450.74454 12.0 +451.73789 74.0 +451.84937 11.0 +453.25628 463.0 +455.152 10.0 +458.24167 18.0 +458.72555 39.0 +459.73672 144.0 +465.2513 24.0 +466.25234 23.0 +467.25649 41.0 +469.24558 42.0 +470.28674 96.0 +471.22134 14.0 +476.24577 10.0 +479.22484 11.0 +481.25552 12.0 +482.73029 15.0 +484.27921 11.0 +485.27753 37.0 +487.3424 256.0 +491.2337 15.0 +493.29762 15.0 +496.29892 11.0 +497.27781 12.0 +498.24165 9.0 +499.27194 9.0 +502.23825 10.0 +503.27598 13.0 +505.26153 71.0 +507.75433 10.0 +510.28867 10.0 +513.34874 10.0 +515.27288 20.0 +516.27553 78.0 +519.26586 36.0 +521.30608 98.0 +522.7799 11.0 +523.78238 21.0 +524.2839 10.0 +524.7828 9.0 +525.27267 10.0 +529.28799 24.0 +532.28677 38.0 +534.30185 8.0 +535.29614 19.0 +536.28276 60.0 +538.34672 99.0 +539.24436 16.0 +539.80023 14.0 +540.33424 8.0 +541.27897 20.0 +546.27242 9.0 +547.28777 54.0 +549.31065 115.0 +551.29886 149.0 +554.28626 58.0 +554.8136 9.0 +557.27917 10.0 +559.25849 10.0 +561.27949 64.0 +564.30403 175.0 +566.34245 208.0 +567.23231 44.0 +568.28679 29.0 +569.284 130.0 +573.27248 8.0 +575.31206 12.0 +576.29961 24.0 +577.28586 100.0 +579.29886 997.0 +582.32826 120.0 +584.26096 125.0 +592.28148 24.0 +593.41706 10.0 +594.31143 72.0 +597.36959 24.0 +598.23532 9.0 +598.37196 114.0 +610.34163 9.0 +613.38689 19.0 +615.40109 86.0 +617.33394 9.0 +618.3299 11.0 +618.83433 11.0 +619.31461 29.0 +622.35175 14.0 +624.29043 10.0 +625.39687 15.0 +626.36055 31.0 +629.30817 9.0 +631.28675 11.0 +632.34554 88.0 +637.35009 12.0 +638.30177 75.0 +643.40718 15.0 +644.2943 9.0 +644.87784 23.0 +645.37004 115.0 +646.34593 86.0 +651.34812 34.0 +654.36679 11.0 +655.32902 21.0 +660.37225 11.0 +661.41556 17.0 +662.33526 47.0 +665.39288 25.0 +666.32826 71.0 +668.39005 9.0 +669.34436 30.0 +674.33498 9.0 +675.34147 9.0 +676.36088 50.0 +677.35072 185.0 +682.35714 13.0 +683.32839 125.0 +689.3194 11.0 +691.34453 10.0 +693.39655 65.0 +695.43663 128.0 +697.34399 232.0 +706.37908 12.0 +707.39317 11.0 +708.43469 13.0 +710.44024 168.0 +712.45919 750.0 +723.38918 16.0 +728.71602 10.0 +734.41482 9.0 +747.4236 14.0 +749.3567 9.0 +751.39366 37.0 +760.42697 10.0 +761.39059 10.0 +762.38346 11.0 +763.37694 10.0 +766.40854 21.0 +768.41659 35.0 +773.39474 10.0 +774.41319 19.0 +775.39537 8.0 +776.40567 69.0 +779.39628 136.0 +779.54925 9.0 +786.39995 17.0 +792.4325 8.0 +793.41343 11.0 +794.40678 27.0 +795.43847 9.0 +796.41328 235.0 +801.38861 9.0 +802.40195 70.0 +804.42551 288.0 +808.43019 13.0 +810.43133 41.0 +817.40086 10.0 +819.4572 11.0 +821.46471 25.0 +823.49264 88.0 +825.50456 9.0 +837.39969 9.0 +839.48364 26.0 +841.51254 185.0 +846.51899 11.0 +863.48039 10.0 +864.47344 9.0 +871.45162 9.0 +872.42656 13.0 +873.44731 51.0 +881.47899 11.0 +882.50977 10.0 +890.46973 113.0 +900.45542 40.0 +905.48391 12.0 +907.45331 9.0 +908.47184 10.0 +909.5018 56.0 +916.44381 65.0 +918.46616 292.0 +939.51619 18.0 +940.54073 9.0 +954.52435 30.0 +956.53862 163.0 +987.56899 11.0 +1003.56036 22.0 +1004.57138 8.0 +1029.53648 9.0 +1031.54379 48.0 +1033.56748 9.0 +1037.62482 17.0 +1038.59667 11.0 +1053.60092 28.0 +1054.59143 13.0 +1055.60986 237.0 +1082.48536 9.0 +1168.69354 30.0 +1169.7069 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 26, +MSn(660.8663), 44.0 min +PEPMASS=660.86627999999996 +CHARGE=2+ +195.16016 13.0 +197.13636 59.0 +200.15164 31.0 +206.13596 15.0 +207.1382 13.0 +208.15654 32.0 +209.11888 24.0 +210.01737 9.0 +210.13472 10.0 +211.14775 11.0 +213.0979 47.0 +215.14901 189.0 +219.12484 12.0 +221.1397 40.0 +223.16193 168.0 +225.11273 16.0 +226.15154 89.0 +227.15101 133.0 +230.12762 9.0 +231.11323 18.0 +234.13318 11.0 +235.12869 38.0 +236.14657 80.0 +239.16367 29.0 +240.14301 10.0 +242.14376 21.0 +243.15166 28.0 +244.17643 443.0 +245.09184 34.0 +247.1704 10.0 +248.15293 10.0 +249.14533 61.0 +251.1612 160.0 +254.15945 29.0 +255.89536 9.0 +258.19167 11.0 +260.20619 69.0 +261.21077 10.0 +263.13981 11.0 +265.14264 40.0 +267.15487 67.0 +272.17354 270.0 +275.16417 28.0 +280.18531 9.0 +284.17302 13.0 +286.18991 37.0 +294.18858 9.0 +296.1623 10.0 +306.21009 9.0 +309.20278 14.0 +312.17385 75.0 +320.17858 15.0 +321.1666 12.0 +322.16954 12.0 +323.15504 41.0 +325.19565 9.0 +327.20806 19.0 +328.19545 78.0 +332.22249 45.0 +334.19884 10.0 +337.1753 26.0 +338.16298 104.0 +340.17717 172.0 +342.14523 336.0 +343.2392 129.0 +346.15595 18.0 +348.2003 13.0 +349.19594 9.0 +350.22372 45.0 +354.18201 18.0 +354.70239 10.0 +355.20411 102.0 +356.73228 33.0 +362.70259 11.0 +363.20302 16.0 +364.20125 27.0 +366.21296 21.0 +369.25719 12.0 +371.27867 10.0 +373.2222 190.0 +375.21329 10.0 +376.16137 26.0 +385.20949 10.0 +391.21872 10.0 +394.18369 18.0 +395.20542 20.0 +398.17286 16.0 +399.19345 12.0 +400.18025 10.0 +408.23483 16.0 +409.25462 11.0 +410.23686 13.0 +418.21838 21.0 +423.23722 23.0 +425.18802 134.0 +427.29475 10.0 +429.24319 14.0 +431.22407 15.0 +434.21429 10.0 +435.24845 11.0 +436.22647 14.0 +439.23733 11.0 +440.20332 9.0 +441.21895 44.0 +443.19723 283.0 +447.23977 46.0 +448.13069 9.0 +450.24638 36.0 +451.23997 125.0 +453.25958 237.0 +455.25644 9.0 +457.23956 40.0 +459.21077 97.0 +464.25602 21.0 +465.25585 105.0 +466.23787 53.0 +467.24858 70.0 +467.72713 9.0 +469.28017 73.0 +473.18989 22.0 +474.23546 23.0 +474.753 712.0 +477.23184 15.0 +478.23715 18.0 +479.22391 12.0 +480.23137 19.0 +481.25213 131.0 +485.29898 24.0 +487.33648 127.0 +489.2534 51.0 +491.20877 138.0 +494.251 20.0 +495.23879 74.0 +500.22727 12.0 +501.30285 29.0 +504.26735 10.0 +505.25997 22.0 +506.30603 118.0 +509.21893 63.0 +512.26039 13.0 +514.27457 11.0 +516.27774 16.0 +517.25088 10.0 +518.22105 10.0 +519.24379 17.0 +521.28498 54.0 +524.26131 32.0 +525.28035 77.0 +526.24543 80.0 +530.27543 95.0 +532.28016 39.0 +534.26084 111.0 +538.33665 56.0 +539.25037 12.0 +541.29859 13.0 +542.25991 61.0 +544.24836 143.0 +548.16958 11.0 +548.30493 24.0 +549.29416 87.0 +553.31541 9.0 +554.26901 20.0 +558.27873 42.0 +560.25092 272.0 +564.30195 83.0 +565.81999 10.0 +566.31204 176.0 +570.25966 62.0 +572.82069 19.0 +573.29966 29.0 +576.28242 61.0 +578.27233 561.0 +581.34416 21.0 +582.31655 146.0 +584.25379 26.0 +586.46324 12.0 +587.3032 14.0 +588.25575 565.0 +591.49335 10.0 +592.28655 71.0 +594.30624 278.0 +598.37604 21.0 +601.28714 13.0 +603.30321 14.0 +604.30356 10.0 +605.29449 15.0 +606.26716 886.0 +610.30487 225.0 +613.37159 13.0 +614.35513 76.0 +614.79873 17.0 +617.81447 16.0 +618.30742 99.0 +623.30295 11.0 +625.36885 10.0 +626.38837 12.0 +628.33723 11.0 +629.40496 13.0 +630.33343 10.0 +631.36505 10.0 +632.3239 10.0 +633.3158 39.0 +636.32094 10.0 +637.29525 10.0 +638.31413 31.0 +641.36569 10.0 +643.30678 57.0 +644.86057 10.0 +648.30751 11.0 +649.34762 10.0 +651.33115 12.0 +651.86245 62.0 +655.31946 9.0 +659.3263 33.0 +660.32441 33.0 +660.88289 10.0 +661.33689 115.0 +661.87475 14.0 +666.3128 11.0 +667.34263 10.0 +668.31918 9.0 +669.31562 67.0 +677.33545 457.0 +683.32767 44.0 +686.36075 9.0 +687.32173 160.0 +689.31324 175.0 +692.38541 11.0 +693.39563 17.0 +694.42313 17.0 +695.4068 47.0 +697.34295 117.0 +703.31808 14.0 +705.33253 744.0 +709.42691 25.0 +710.44365 289.0 +712.45728 333.0 +715.39336 10.0 +718.38512 34.0 +721.38564 9.0 +724.40489 15.0 +725.39593 9.0 +726.42322 24.0 +727.44526 20.0 +728.45383 43.0 +736.41552 165.0 +744.36606 13.0 +745.35202 9.0 +751.47054 18.0 +756.44099 9.0 +761.36744 39.0 +763.40307 10.0 +766.46817 11.0 +770.37049 29.0 +774.38776 33.0 +778.39537 44.0 +779.39024 74.0 +782.42413 10.0 +788.38273 91.0 +794.40184 29.0 +796.41722 36.0 +797.39381 84.0 +802.39592 78.0 +806.39258 129.0 +810.41592 16.0 +812.40496 11.0 +815.40839 16.0 +816.36791 11.0 +817.40997 32.0 +819.43047 63.0 +823.49163 36.0 +834.41568 13.0 +835.42656 80.0 +839.48848 16.0 +840.48503 9.0 +841.50067 73.0 +845.45378 14.0 +846.46605 10.0 +851.44774 111.0 +853.45229 10.0 +856.50621 11.0 +857.49306 11.0 +859.43376 11.0 +861.4426 10.0 +901.46685 35.0 +905.48602 11.0 +906.4696 27.0 +916.4503 11.0 +917.44756 10.0 +918.47712 12.0 +920.46942 10.0 +922.50597 9.0 +930.48143 12.0 +931.46845 78.0 +939.54067 11.0 +946.47828 10.0 +947.47384 16.0 +948.49872 492.0 +954.53204 14.0 +956.53304 93.0 +960.46682 14.0 +972.52453 10.0 +1005.53296 11.0 +1045.54319 11.0 +1049.55343 98.0 +1053.58957 14.0 +1055.61359 60.0 +1060.54739 12.0 +1062.57393 16.0 +1071.59364 13.0 +1072.59715 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 27, +MSn(562.7756), 44.0 min +PEPMASS=562.77557000000002 +CHARGE=2+ +195.09691 17.0 +196.0861 10.0 +197.12404 9.0 +198.1015 15.0 +199.08146 33.0 +201.12695 22.0 +202.01176 10.0 +203.11235 42.0 +210.14254 8.0 +211.12843 9.0 +212.11673 77.0 +213.05566 63.0 +214.12384 7.0 +215.14582 20.0 +216.10536 48.0 +223.15525 13.0 +226.13165 15.0 +227.08721 8.0 +229.13869 21.0 +230.12937 7.0 +231.04022 50.0 +231.12307 35.0 +234.10133 8.0 +238.0883 34.0 +244.17227 8.0 +245.09016 30.0 +246.15154 7.0 +247.13212 10.0 +249.12649 9.0 +251.1263 14.0 +252.11815 13.0 +253.10712 8.0 +254.13686 15.0 +255.12105 32.0 +256.12701 9.0 +257.1114 8.0 +259.03257 74.0 +262.15715 7.0 +264.12007 7.0 +266.16247 11.0 +267.16201 29.0 +268.09471 14.0 +269.12731 13.0 +270.06942 18.0 +272.14312 191.0 +274.90376 7.0 +276.06204 194.0 +277.13813 17.0 +282.13267 11.0 +283.10976 9.0 +283.18638 19.0 +284.17312 47.0 +289.17302 132.0 +292.13811 7.0 +294.1818 125.0 +296.08654 135.0 +298.1124 9.0 +300.13377 50.0 +301.19399 23.0 +304.05608 119.0 +306.05881 8.0 +309.15976 7.0 +311.18712 23.0 +312.16642 108.0 +314.09291 189.0 +318.14464 23.0 +325.13262 9.0 +329.19035 20.0 +330.17232 18.0 +337.18501 13.0 +340.16858 14.0 +343.0932 7.0 +351.15595 8.0 +351.71679 7.0 +353.20796 13.0 +354.1832 19.0 +357.19833 9.0 +359.10858 28.0 +359.23644 9.0 +360.13876 7.0 +363.20999 9.0 +370.21577 15.0 +371.21387 40.0 +377.11473 11.0 +378.11271 12.0 +379.12137 7.0 +381.22979 20.0 +382.20683 7.0 +387.09627 39.0 +388.24223 158.0 +390.15661 16.0 +391.23855 8.0 +397.13234 30.0 +398.12822 7.0 +398.25115 12.0 +399.18167 8.0 +405.11561 130.0 +405.22456 66.0 +409.22313 9.0 +413.2311 10.0 +423.11816 10.0 +423.23697 67.0 +425.13242 44.0 +431.25497 7.0 +434.19552 7.0 +441.22943 8.0 +450.24804 7.0 +453.22588 11.0 +456.16216 11.0 +457.22568 10.0 +464.22944 11.0 +465.26108 7.0 +466.16996 9.0 +466.27551 9.0 +467.28301 17.0 +470.2299 7.0 +471.16127 7.0 +471.28774 7.0 +472.18816 10.0 +473.18708 20.0 +474.16933 8.0 +475.21594 9.0 +476.14497 17.0 +477.24933 7.0 +478.221 9.0 +479.20044 8.0 +481.24763 9.0 +482.2411 7.0 +483.44233 7.0 +484.30206 26.0 +485.30498 9.0 +488.21183 7.0 +488.29564 12.0 +489.23324 20.0 +490.20408 54.0 +493.22262 9.0 +494.1522 55.0 +496.2644 9.0 +497.7473 7.0 +498.25455 13.0 +500.20372 9.0 +501.32784 264.0 +506.17204 8.0 +507.16856 14.0 +508.17115 7.0 +510.25098 12.0 +511.3121 9.0 +512.16981 27.0 +514.26598 7.0 +516.1372 34.0 +517.15675 7.0 +518.20383 39.0 +521.26428 9.0 +522.23836 8.0 +524.20939 23.0 +525.30372 9.0 +527.24536 9.0 +528.24579 9.0 +529.30114 29.0 +533.2215 9.0 +534.1821 10.0 +538.26976 114.0 +542.2511 7.0 +543.22467 7.0 +543.35792 7.0 +544.24887 10.0 +545.32955 7.0 +547.29066 9.0 +549.31585 7.0 +552.19883 20.0 +553.18779 7.0 +553.31683 9.0 +555.2536 7.0 +557.22096 7.0 +558.35574 7.0 +559.35967 11.0 +565.29002 7.0 +570.35317 34.0 +571.21126 15.0 +571.34007 52.0 +574.23257 13.0 +585.17092 17.0 +586.25398 8.0 +587.25724 11.0 +588.36621 851.0 +589.18479 7.0 +592.25678 15.0 +594.31486 9.0 +598.3532 13.0 +601.25728 8.0 +601.35829 10.0 +603.18947 13.0 +605.25553 8.0 +607.29464 10.0 +614.31158 7.0 +619.26193 7.0 +620.26757 7.0 +621.23316 8.0 +622.24605 8.0 +631.18388 9.0 +639.32544 7.0 +642.32848 7.0 +651.36563 9.0 +666.28963 8.0 +671.28072 7.0 +680.28714 13.0 +681.29 21.0 +682.36139 11.0 +683.33915 8.0 +684.28839 11.0 +685.31536 10.0 +686.29782 7.0 +688.29435 7.0 +698.30941 61.0 +699.39702 167.0 +702.34088 17.0 +703.32554 8.0 +710.44367 9.0 +715.29858 7.0 +716.27935 12.0 +717.41554 272.0 +734.31199 7.0 +756.42031 10.0 +774.43632 10.0 +800.45441 25.0 +811.39407 40.0 +813.38454 8.0 +818.46784 122.0 +896.3775 7.0 +912.44243 25.0 +914.45874 9.0 +1027.48756 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 28, +MSn(675.3789), 44.2 min +PEPMASS=675.37892999999997 +CHARGE=2+ +197.14978 15.0 +199.18684 17.0 +200.15364 30.0 +203.64078 16.0 +206.13923 23.0 +207.14125 37.0 +208.14561 102.0 +213.17249 17.0 +215.1185 41.0 +217.09323 27.0 +219.12939 104.0 +223.16624 175.0 +226.13291 136.0 +234.13448 26.0 +236.14418 134.0 +239.18688 12.0 +243.04878 12.0 +243.12434 37.0 +244.17784 24.0 +245.09085 41.0 +245.48367 14.0 +247.15247 22.0 +250.13769 15.0 +251.15895 254.0 +260.21044 72.0 +262.17912 28.0 +267.03943 12.0 +267.15506 39.0 +270.23612 15.0 +278.13324 15.0 +279.19429 14.0 +280.14279 27.0 +282.14762 14.0 +290.20042 17.0 +291.16885 17.0 +292.15193 21.0 +293.2187 22.0 +294.16585 19.0 +295.1616 18.0 +296.21824 15.0 +298.17071 12.0 +308.70528 13.0 +311.18354 14.0 +312.17873 23.0 +315.23478 12.0 +317.17995 14.0 +318.20001 21.0 +321.20949 12.0 +322.72295 12.0 +323.14544 53.0 +325.20152 14.0 +328.19871 21.0 +329.19769 18.0 +332.22196 72.0 +335.22574 25.0 +337.15793 13.0 +338.15714 51.0 +339.26115 14.0 +340.16989 285.0 +344.16836 20.0 +348.22552 17.0 +350.3043 12.0 +351.22444 53.0 +352.74203 13.0 +354.19568 59.0 +356.20952 16.0 +357.20327 24.0 +359.20828 29.0 +361.22142 12.0 +362.41397 14.0 +365.12359 18.0 +366.19761 20.0 +367.25163 15.0 +373.30107 29.0 +374.22019 22.0 +377.16206 19.0 +379.8767 21.0 +380.19807 14.0 +386.18465 13.0 +389.26952 22.0 +393.23917 12.0 +393.73475 25.0 +395.20599 15.0 +397.71739 14.0 +398.02745 12.0 +405.18789 39.0 +407.84639 12.0 +408.23906 21.0 +410.72767 15.0 +412.64234 12.0 +413.21937 14.0 +419.23329 13.0 +422.23425 15.0 +424.23133 45.0 +428.18009 21.0 +431.22963 14.0 +432.59144 23.0 +433.21212 91.0 +435.12263 47.0 +437.70853 29.0 +438.70233 31.0 +441.20527 28.0 +442.62419 13.0 +444.73215 38.0 +446.2316 34.0 +446.33584 16.0 +448.70517 21.0 +450.24186 46.0 +451.22525 95.0 +451.89488 12.0 +453.2536 343.0 +457.24999 22.0 +457.73761 45.0 +458.23272 50.0 +463.22722 22.0 +464.27188 24.0 +465.24842 230.0 +467.58331 14.0 +470.21223 46.0 +470.31113 51.0 +472.20735 32.0 +473.33192 15.0 +473.7463 28.0 +474.26332 70.0 +477.24874 20.0 +478.20506 46.0 +480.23224 34.0 +482.28791 12.0 +485.29131 76.0 +485.31882 51.0 +487.34246 169.0 +487.74081 70.0 +487.85437 59.0 +489.25909 75.0 +493.23018 26.0 +493.70986 67.0 +494.23009 102.0 +497.48656 18.0 +499.26908 16.0 +499.96956 13.0 +503.26707 19.0 +504.26439 117.0 +504.46155 22.0 +506.65003 19.0 +508.38186 13.0 +508.72576 12.0 +509.23905 25.0 +510.3112 24.0 +513.29239 36.0 +518.18565 34.0 +519.29813 12.0 +519.78274 14.0 +520.85662 20.0 +521.29045 24.0 +523.78358 13.0 +524.27108 72.0 +527.3528 15.0 +528.30245 29.0 +530.77173 14.0 +531.3277 62.0 +533.20108 14.0 +535.30965 17.0 +536.27705 38.0 +538.33424 93.0 +539.25155 20.0 +539.84111 14.0 +542.24232 26.0 +545.78704 23.0 +546.30375 23.0 +547.29591 45.0 +549.29958 133.0 +551.91931 41.0 +554.30273 27.0 +560.24363 15.0 +561.3217 28.0 +564.30473 180.0 +566.33914 156.0 +569.28286 33.0 +574.27717 30.0 +576.29299 87.0 +579.30899 85.0 +582.3251 33.0 +583.28658 85.0 +584.86904 20.0 +587.82934 12.0 +588.40891 13.0 +588.90691 12.0 +592.28944 40.0 +594.30893 303.0 +595.11245 14.0 +596.53142 18.0 +598.37428 52.0 +601.29568 23.0 +604.31038 66.0 +606.86399 35.0 +607.45089 15.0 +608.31068 63.0 +610.34883 49.0 +615.38416 55.0 +618.29412 16.0 +618.89252 16.0 +619.32169 17.0 +620.28168 32.0 +623.35111 58.0 +626.98732 13.0 +630.26895 27.0 +632.36405 12.0 +633.31709 118.0 +635.15228 37.0 +638.30464 100.0 +640.4978 13.0 +642.31645 12.0 +643.85095 15.0 +646.34721 78.0 +648.8448 15.0 +651.3897 15.0 +652.33093 24.0 +654.39453 21.0 +655.33405 33.0 +661.37426 12.0 +663.36503 12.0 +664.37041 24.0 +665.88745 27.0 +666.36369 79.0 +668.34318 24.0 +672.3806 50.0 +673.89154 13.0 +675.36804 68.0 +677.39738 60.0 +680.3266 14.0 +680.61019 19.0 +681.3262 82.0 +689.38702 83.0 +689.50894 31.0 +693.38949 34.0 +695.43169 66.0 +697.34417 157.0 +706.37144 13.0 +707.38409 41.0 +708.67203 13.0 +709.41661 47.0 +710.44149 267.0 +712.46019 558.0 +714.58684 13.0 +721.04605 13.0 +725.43202 21.0 +726.425 44.0 +728.45041 13.0 +734.4381 24.0 +735.35744 47.0 +740.418 14.0 +741.32606 13.0 +748.40892 18.0 +750.38963 19.0 +751.47287 58.0 +753.38713 14.0 +755.47999 17.0 +756.44668 55.0 +760.37992 13.0 +764.35577 31.0 +766.44615 12.0 +776.36129 28.0 +779.40894 25.0 +783.96012 22.0 +792.40889 30.0 +794.47168 17.0 +796.4188 128.0 +810.4411 12.0 +811.42202 12.0 +812.41171 30.0 +817.40924 12.0 +819.43431 134.0 +823.49561 62.0 +824.32141 15.0 +826.42097 12.0 +828.4283 14.0 +839.50518 36.0 +841.51029 158.0 +846.44058 18.0 +859.45695 35.0 +863.54289 25.0 +870.42479 24.0 +874.47646 12.0 +885.47652 18.0 +887.46978 24.0 +890.46533 19.0 +892.49121 22.0 +909.50804 30.0 +916.45751 13.0 +923.49832 12.0 +933.47795 19.0 +934.47166 46.0 +954.53551 40.0 +956.53659 171.0 +959.1161 21.0 +965.72761 18.0 +966.53768 14.0 +970.49518 17.0 +978.48261 15.0 +980.29211 17.0 +995.54626 29.0 +1000.52762 26.0 +1018.58088 12.0 +1019.57964 13.0 +1046.53988 12.0 +1053.58158 12.0 +1055.59762 144.0 +1062.56697 14.0 +1063.55991 14.0 +1070.56329 13.0 +1094.62222 55.0 +1112.54513 15.0 +1168.71294 20.0 +1169.67488 27.0 +1219.61622 24.0 +END IONS +BEGIN IONS +TITLE=Cmpd 29, +MSn(562.2739), 45.6 min +PEPMASS=562.27389000000005 +CHARGE=2+ +195.08021 12.0 +197.106 21.0 +198.10285 20.0 +199.08639 24.0 +201.13244 74.0 +202.01429 19.0 +203.11869 54.0 +206.14025 11.0 +210.03033 10.0 +210.10978 14.0 +212.1138 42.0 +213.04047 84.0 +213.16936 14.0 +214.17609 11.0 +215.14593 11.0 +216.45661 11.0 +217.10201 18.0 +220.10398 10.0 +221.16565 17.0 +223.05933 10.0 +224.12022 13.0 +226.12667 12.0 +227.1252 29.0 +227.86868 24.0 +230.12012 31.0 +231.04012 135.0 +232.09313 11.0 +236.10801 13.0 +238.09805 26.0 +240.08292 13.0 +242.07618 13.0 +244.1686 12.0 +245.08772 15.0 +250.21511 11.0 +251.12073 15.0 +252.11267 26.0 +254.1329 24.0 +255.12195 56.0 +259.03749 100.0 +262.09592 13.0 +264.11895 10.0 +264.17632 13.0 +266.16241 19.0 +267.1652 15.0 +268.0931 27.0 +270.0534 17.0 +270.15566 10.0 +272.14769 164.0 +274.22933 10.0 +276.06252 190.0 +277.15925 17.0 +282.12299 51.0 +284.16666 15.0 +285.17278 11.0 +289.17192 196.0 +293.16452 10.0 +294.18963 83.0 +296.08061 215.0 +299.17553 20.0 +300.13393 59.0 +304.0577 155.0 +310.93373 13.0 +311.1896 28.0 +312.16411 53.0 +312.59475 10.0 +312.7664 17.0 +314.09653 266.0 +315.15607 11.0 +316.09675 13.0 +318.14446 56.0 +324.90713 10.0 +327.18999 15.0 +328.22072 14.0 +329.18948 22.0 +329.44664 17.0 +329.57407 11.0 +330.91593 11.0 +331.16539 15.0 +332.65635 12.0 +332.84205 11.0 +337.18733 14.0 +338.16309 13.0 +339.17927 15.0 +341.21417 13.0 +342.09434 34.0 +344.26538 16.0 +348.77597 11.0 +351.1424 11.0 +353.25625 15.0 +353.63514 15.0 +354.18686 73.0 +357.07006 14.0 +361.10139 10.0 +361.37221 10.0 +362.18619 10.0 +362.93049 12.0 +364.19099 16.0 +365.23699 13.0 +369.19787 12.0 +370.15297 11.0 +371.21835 83.0 +375.18993 10.0 +377.12879 18.0 +378.0945 13.0 +380.47877 17.0 +384.18294 10.0 +386.08346 57.0 +386.33269 10.0 +388.24613 207.0 +390.85953 12.0 +391.27577 10.0 +395.157 11.0 +397.12412 43.0 +401.73027 35.0 +403.3625 10.0 +404.67938 20.0 +405.11101 127.0 +405.21879 25.0 +408.23591 17.0 +409.203 13.0 +410.19508 11.0 +412.26456 12.0 +414.22409 12.0 +415.2382 12.0 +419.83991 11.0 +420.10841 11.0 +421.24104 14.0 +423.24499 19.0 +425.12801 74.0 +427.4079 15.0 +428.23454 12.0 +429.19451 10.0 +434.67335 11.0 +435.54262 11.0 +436.83327 13.0 +447.20884 11.0 +453.01 13.0 +453.2615 10.0 +454.2702 20.0 +455.17941 13.0 +459.15757 12.0 +460.31261 11.0 +463.1859 13.0 +464.89052 13.0 +466.16425 24.0 +466.25669 13.0 +467.25722 23.0 +470.28564 12.0 +474.33448 11.0 +475.22806 11.0 +476.1369 12.0 +476.33861 13.0 +477.22849 12.0 +479.17388 21.0 +484.29512 25.0 +490.20985 16.0 +491.16845 13.0 +492.27862 17.0 +494.15645 104.0 +499.31938 12.0 +501.32777 307.0 +507.17246 27.0 +512.16895 48.0 +513.23167 17.0 +515.21727 10.0 +516.13765 53.0 +519.1788 14.0 +523.91101 10.0 +524.55977 13.0 +526.2835 16.0 +528.23305 11.0 +529.31495 17.0 +534.16312 19.0 +538.27518 61.0 +541.28997 22.0 +543.35042 23.0 +552.32527 35.0 +554.32345 44.0 +556.24787 10.0 +558.17249 16.0 +558.3384 21.0 +559.23572 12.0 +559.36096 10.0 +560.36208 13.0 +563.18841 17.0 +564.25215 13.0 +568.27373 11.0 +570.211 23.0 +570.37282 30.0 +571.34218 75.0 +583.19202 11.0 +586.21979 47.0 +588.36786 940.0 +593.23176 15.0 +598.33049 11.0 +601.78985 12.0 +608.29794 19.0 +615.90859 17.0 +619.26108 12.0 +635.27946 10.0 +637.28102 13.0 +653.3134 11.0 +668.42576 10.0 +680.29989 12.0 +681.38618 37.0 +698.30609 55.0 +699.39836 249.0 +700.56901 11.0 +701.33101 17.0 +702.73982 11.0 +710.41447 10.0 +717.41539 340.0 +721.33077 22.0 +729.28226 12.0 +729.9518 14.0 +738.42828 12.0 +742.22175 10.0 +747.43008 14.0 +756.43123 42.0 +774.49124 12.0 +783.44178 18.0 +790.56698 28.0 +800.44777 15.0 +801.67491 15.0 +803.45878 24.0 +809.04857 22.0 +811.40852 12.0 +812.38778 23.0 +818.46509 159.0 +819.70311 11.0 +831.33405 11.0 +853.43832 19.0 +1026.48796 18.0 +1089.15088 10.0 +1130.58274 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 30, +MSn(594.3450), 45.6 min +PEPMASS=594.34493999999995 +CHARGE=2+ +197.13451 44.0 +199.11258 36.0 +201.13045 14.0 +205.07379 11.0 +209.14528 14.0 +212.12745 22.0 +213.17112 11.0 +215.1802 11.0 +216.11278 118.0 +219.61905 11.0 +221.11412 21.0 +223.16389 14.0 +224.13812 12.0 +225.14167 14.0 +226.1307 17.0 +227.1273 10.0 +228.18695 10.0 +228.76111 15.0 +230.12136 11.0 +235.12635 11.0 +237.13869 25.0 +238.11731 101.0 +242.16919 20.0 +245.12997 14.0 +246.18904 31.0 +248.12575 26.0 +249.1719 69.0 +252.16517 10.0 +255.15787 11.0 +257.14098 14.0 +258.13137 28.0 +258.35431 15.0 +262.16108 39.0 +264.14234 27.0 +267.11836 35.0 +269.12762 11.0 +270.17167 18.0 +274.24273 13.0 +277.16711 25.0 +281.14805 15.0 +282.15761 29.0 +288.20699 10.0 +289.12748 10.0 +294.19077 70.0 +298.19142 10.0 +309.17254 11.0 +312.20816 18.0 +313.20703 15.0 +314.22753 11.0 +316.16457 14.0 +322.16238 10.0 +324.19662 72.0 +329.67981 10.0 +333.16597 17.0 +334.16553 11.0 +339.11088 12.0 +342.21036 19.0 +344.20555 24.0 +344.31207 13.0 +350.61293 14.0 +354.17678 16.0 +359.17442 15.0 +360.16834 32.0 +361.22793 78.0 +362.14214 32.0 +364.15354 10.0 +366.20767 39.0 +366.55237 10.0 +368.96268 10.0 +369.21055 12.0 +371.20685 16.0 +374.6789 13.0 +376.086 11.0 +379.17045 120.0 +383.24695 60.0 +385.33601 11.0 +385.73024 10.0 +387.65917 16.0 +392.1659 12.0 +394.23465 11.0 +395.23738 19.0 +399.16355 15.0 +405.23042 26.0 +411.27367 35.0 +415.38389 16.0 +417.18256 15.0 +418.15829 21.0 +419.28962 13.0 +420.20325 36.0 +421.38492 10.0 +428.32644 15.0 +430.2109 12.0 +436.2335 41.0 +439.92211 11.0 +440.27504 10.0 +441.77444 28.0 +443.13666 11.0 +445.24717 15.0 +446.23086 20.0 +449.77044 31.0 +450.77787 246.0 +452.11362 16.0 +453.2102 14.0 +455.28715 16.0 +461.67566 10.0 +462.26063 19.0 +462.78327 15.0 +463.21834 24.0 +464.26354 46.0 +466.02311 11.0 +468.29687 12.0 +470.29759 23.0 +472.1611 13.0 +472.32078 11.0 +473.23059 12.0 +474.24765 66.0 +474.75463 35.0 +481.23441 45.0 +481.41544 10.0 +482.75097 14.0 +483.78593 10.0 +484.80156 10.0 +485.20056 13.0 +486.11425 10.0 +487.3233 13.0 +489.21868 58.0 +490.27464 532.0 +490.69563 11.0 +491.41148 13.0 +491.8029 14.0 +492.80878 69.0 +492.951 10.0 +497.3099 11.0 +500.23424 11.0 +501.20443 88.0 +501.75103 15.0 +503.70092 51.0 +508.2347 14.0 +508.73409 13.0 +509.2779 35.0 +512.30742 147.0 +514.26045 10.0 +515.30735 11.0 +516.24736 23.0 +519.20718 48.0 +521.29424 16.0 +522.30671 32.0 +523.26622 21.0 +523.52257 12.0 +529.22223 73.0 +533.29138 17.0 +534.26027 10.0 +535.2192 12.0 +535.83432 22.0 +540.31827 72.0 +544.61563 14.0 +548.31869 16.0 +551.30206 11.0 +553.33373 13.0 +554.32031 10.0 +554.56996 22.0 +555.26341 23.0 +567.35276 10.0 +569.34671 11.0 +570.29446 14.0 +572.35214 26.0 +574.26445 23.0 +580.97577 10.0 +581.33381 13.0 +586.34762 11.0 +587.36085 25.0 +588.1976 10.0 +589.35064 617.0 +591.4866 30.0 +592.54138 10.0 +593.38088 17.0 +598.28061 182.0 +599.52542 13.0 +601.25704 15.0 +602.29084 32.0 +608.26642 27.0 +610.30105 23.0 +614.34673 13.0 +615.47702 15.0 +626.28206 212.0 +626.29414 293.0 +626.87336 11.0 +633.81073 12.0 +635.36754 10.0 +639.37846 48.0 +652.30875 10.0 +653.80998 15.0 +654.51069 12.0 +660.85855 26.0 +661.35634 13.0 +671.27027 12.0 +684.40492 11.0 +685.77411 13.0 +686.41133 11.0 +690.22713 12.0 +694.36014 17.0 +697.35743 73.0 +700.43592 12.0 +702.44107 404.0 +702.73203 11.0 +708.33749 12.0 +713.47881 11.0 +723.46692 24.0 +725.35399 85.0 +728.40721 13.0 +731.36744 14.0 +731.66382 14.0 +733.53592 23.0 +743.38604 26.0 +752.85491 11.0 +758.31163 12.0 +759.31945 27.0 +760.54722 19.0 +768.2972 28.0 +773.38643 11.0 +774.4082 59.0 +779.14114 15.0 +785.48533 20.0 +787.31806 16.0 +788.45452 13.0 +792.46134 13.0 +795.52299 16.0 +801.47895 31.0 +801.64051 20.0 +803.48865 381.0 +804.66668 14.0 +813.47602 74.0 +823.49586 13.0 +834.12533 14.0 +840.504 14.0 +844.31937 11.0 +853.61448 11.0 +856.50336 36.0 +867.73214 11.0 +871.45972 151.0 +882.53594 24.0 +898.54126 42.0 +898.76687 11.0 +900.54846 481.0 +957.58125 36.0 +969.44335 10.0 +983.5831 12.0 +1001.59143 15.0 +1002.60587 15.0 +1013.50806 10.0 +1033.50634 10.0 +1061.43219 15.0 +1088.6514 11.0 +1088.72477 14.0 +1089.63763 24.0 +1091.66134 11.0 +1092.62963 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 31, +MSn(651.3690), 46.0 min +PEPMASS=651.36896000000002 +CHARGE=1+ +199.18903 10.0 +200.14924 10.0 +206.1399 64.0 +213.16025 7.0 +215.12061 18.0 +216.15211 9.0 +217.10051 6.0 +219.12029 12.0 +221.14946 17.0 +222.14154 9.0 +223.1669 517.0 +225.17314 8.0 +226.13043 191.0 +234.13632 20.0 +235.14781 6.0 +236.15057 17.0 +243.12078 46.0 +251.162 444.0 +253.16213 9.0 +260.20917 63.0 +271.11726 6.0 +279.26429 6.0 +294.16936 6.0 +295.15177 17.0 +296.15689 9.0 +297.66143 6.0 +301.18469 9.0 +304.22508 16.0 +309.16799 7.0 +312.18373 20.0 +313.17649 10.0 +322.23439 7.0 +323.15197 64.0 +328.19655 24.0 +332.22062 165.0 +336.69396 6.0 +337.17138 26.0 +338.16809 8.0 +339.20901 7.0 +340.17018 229.0 +346.19349 24.0 +347.19203 7.0 +350.23235 84.0 +354.70283 56.0 +355.69845 8.0 +356.20581 14.0 +356.7308 7.0 +357.20706 31.0 +358.18568 9.0 +361.15258 7.0 +373.29056 32.0 +382.15474 8.0 +385.19467 7.0 +392.20413 8.0 +401.21424 8.0 +408.2462 7.0 +410.21856 39.0 +412.22497 8.0 +423.21355 11.0 +424.21688 8.0 +425.26808 48.0 +434.19225 7.0 +436.22937 39.0 +439.23162 7.0 +440.25137 11.0 +440.7179 9.0 +441.23201 12.0 +441.71742 7.0 +444.73568 7.0 +445.23861 8.0 +447.24518 10.0 +448.27004 8.0 +449.23859 7.0 +450.25225 10.0 +451.21514 61.0 +453.25752 306.0 +457.24278 43.0 +458.72539 23.0 +462.20378 9.0 +463.23505 6.0 +464.23643 9.0 +465.26163 178.0 +467.24458 100.0 +469.23105 19.0 +470.21273 28.0 +470.30419 56.0 +474.21957 7.0 +475.25911 6.0 +477.24609 7.0 +478.23479 10.0 +480.17435 6.0 +481.21954 18.0 +482.24352 7.0 +485.29436 7.0 +487.33883 151.0 +491.25752 8.0 +495.24378 18.0 +496.2454 7.0 +501.29844 9.0 +502.25688 9.0 +517.25482 7.0 +518.27448 10.0 +519.27932 8.0 +521.31402 60.0 +523.2875 8.0 +523.78805 33.0 +524.28354 26.0 +524.77513 8.0 +525.31002 8.0 +531.24235 6.0 +532.29572 22.0 +534.24082 7.0 +535.29396 11.0 +536.30756 17.0 +538.34579 58.0 +540.29126 8.0 +541.28438 12.0 +546.29716 7.0 +547.29196 17.0 +548.29283 24.0 +549.30614 112.0 +554.30845 25.0 +555.31177 10.0 +557.25088 7.0 +562.30785 6.0 +564.30358 105.0 +566.33077 166.0 +569.27443 51.0 +571.31958 8.0 +576.29816 63.0 +579.29062 18.0 +580.32673 8.0 +581.34641 10.0 +582.31912 77.0 +584.2553 52.0 +586.28978 6.0 +587.41495 8.0 +589.28258 7.0 +590.32495 9.0 +591.32357 13.0 +592.29251 38.0 +594.30987 708.0 +594.58285 8.0 +597.35543 9.0 +598.38629 20.0 +604.33251 6.0 +615.40277 14.0 +621.28181 16.0 +626.37986 11.0 +627.3454 8.0 +628.32014 6.0 +630.27051 8.0 +632.34689 14.0 +634.36368 10.0 +634.60682 7.0 +635.39623 8.0 +638.30394 51.0 +648.36753 7.0 +649.35427 7.0 +650.37067 11.0 +651.36188 10.0 +652.32627 19.0 +653.3696 32.0 +653.86734 7.0 +660.36701 7.0 +662.34786 14.0 +663.33559 8.0 +664.33963 7.0 +665.33958 14.0 +666.32859 62.0 +675.40233 7.0 +676.36295 7.0 +677.41499 27.0 +678.39802 9.0 +679.35032 11.0 +680.32954 56.0 +683.32565 75.0 +685.33053 10.0 +690.38098 9.0 +691.36352 62.0 +693.37379 8.0 +694.43448 11.0 +695.4241 73.0 +697.34306 113.0 +699.35316 7.0 +704.39199 7.0 +706.38121 7.0 +707.3608 7.0 +708.39838 40.0 +710.44446 35.0 +711.45348 9.0 +712.45956 394.0 +717.40006 14.0 +734.39328 7.0 +734.98692 6.0 +735.56202 7.0 +751.39062 35.0 +761.37056 15.0 +762.37252 6.0 +766.40848 8.0 +768.42131 16.0 +769.42665 9.0 +775.38564 6.0 +776.40187 7.0 +778.43968 9.0 +779.38261 31.0 +780.40469 9.0 +791.43734 19.0 +792.42139 8.0 +793.41685 10.0 +794.40915 7.0 +796.41142 107.0 +801.41386 17.0 +802.4152 8.0 +804.42512 8.0 +807.3998 7.0 +810.42806 9.0 +811.43653 9.0 +812.43923 7.0 +818.43816 7.0 +819.42985 238.0 +823.49242 59.0 +825.50181 7.0 +834.40256 7.0 +836.43474 6.0 +841.51055 69.0 +843.50213 7.0 +844.46334 13.0 +864.48531 7.0 +888.46539 24.0 +892.48135 12.0 +893.4741 8.0 +905.47732 34.0 +909.49717 19.0 +910.49842 9.0 +915.46732 16.0 +916.45125 39.0 +933.48188 183.0 +936.46783 10.0 +939.50929 10.0 +940.50587 9.0 +954.51249 8.0 +956.54031 68.0 +1018.56665 12.0 +1019.58049 9.0 +1020.55727 8.0 +1029.53727 11.0 +1046.55945 27.0 +1047.55979 23.0 +1055.61062 109.0 +1168.68986 16.0 +1169.71078 12.0 +1659.19648 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 32, +MSn(464.2626), 46.2 min +PEPMASS=464.26261 +CHARGE=2+ +197.13323 44.0 +199.19854 10.0 +200.09069 8.0 +200.34856 7.0 +201.11346 74.0 +202.87626 8.0 +204.14389 60.0 +204.52972 14.0 +206.08911 23.0 +206.52948 11.0 +208.15283 12.0 +209.11887 32.0 +210.09247 7.0 +211.12235 16.0 +212.12344 15.0 +212.95886 9.0 +213.1261 18.0 +214.15796 12.0 +215.15291 151.0 +217.21046 10.0 +219.15856 88.0 +220.10332 17.0 +220.17807 9.0 +221.11037 21.0 +223.15711 8.0 +225.16688 8.0 +225.61669 8.0 +226.09092 34.0 +226.22817 8.0 +229.14097 289.0 +230.29346 16.0 +231.09115 10.0 +231.1758 11.0 +232.16747 12.0 +233.10437 13.0 +234.17986 12.0 +236.0054 7.0 +237.14681 11.0 +238.13221 22.0 +241.19544 9.0 +243.13893 48.0 +245.08815 11.0 +245.17178 12.0 +246.15562 180.0 +248.47744 19.0 +249.17049 627.0 +250.34538 9.0 +254.13253 9.0 +254.81137 26.0 +256.15014 22.0 +256.73236 13.0 +257.45181 9.0 +261.68065 9.0 +261.78376 9.0 +262.08401 12.0 +263.18742 13.0 +264.11283 8.0 +265.13195 374.0 +270.1563 8.0 +271.14565 15.0 +272.93031 12.0 +273.03076 9.0 +273.1775 32.0 +275.12815 14.0 +275.9532 8.0 +276.16665 8.0 +277.16518 176.0 +278.59762 8.0 +284.18209 11.0 +285.00506 12.0 +287.13049 9.0 +288.09242 11.0 +289.12536 15.0 +291.51696 10.0 +293.12646 588.0 +295.57598 9.0 +296.16762 11.0 +297.16685 12.0 +300.17962 10.0 +302.16615 9.0 +305.14155 40.0 +306.98512 8.0 +307.14005 28.0 +310.16023 10.0 +312.15708 14.0 +314.201 9.0 +315.11314 8.0 +315.24479 15.0 +318.18372 13.0 +318.86176 10.0 +321.16812 8.0 +322.17906 18.0 +323.15611 20.0 +324.1739 9.0 +326.21794 8.0 +326.47377 8.0 +327.15943 14.0 +328.20912 13.0 +330.18201 14.0 +334.05466 9.0 +334.17972 12.0 +337.31126 8.0 +337.95024 7.0 +340.15984 14.0 +341.17052 14.0 +342.21878 86.0 +346.40176 10.0 +347.23807 31.0 +349.15764 7.0 +351.11347 9.0 +354.20269 9.0 +357.15271 10.0 +359.25693 193.0 +360.74457 11.0 +361.22728 8.0 +364.20789 8.0 +365.03123 9.0 +367.10067 11.0 +367.24549 10.0 +368.22138 8.0 +368.81691 8.0 +369.22824 7.0 +371.16981 13.0 +376.20158 31.0 +378.18245 10.0 +388.2045 46.0 +389.33678 10.0 +390.24575 9.0 +390.33799 12.0 +391.16532 16.0 +396.20714 8.0 +399.23663 10.0 +401.30578 9.0 +402.5601 10.0 +403.209 9.0 +404.66624 20.0 +405.8854 23.0 +406.20902 104.0 +407.08646 11.0 +408.19818 8.0 +413.25992 11.0 +416.23316 11.0 +424.24874 10.0 +428.25664 7.0 +432.23197 11.0 +437.21974 8.0 +438.2452 9.0 +438.38079 11.0 +439.24477 14.0 +442.99023 8.0 +443.08052 8.0 +445.22445 13.0 +449.23677 11.0 +450.26675 17.0 +452.31139 8.0 +453.25261 9.0 +456.23594 7.0 +458.27598 19.0 +459.12286 12.0 +459.29978 9.0 +461.27062 9.0 +461.40514 8.0 +464.92856 11.0 +466.4788 8.0 +470.28479 86.0 +472.25879 9.0 +474.2183 9.0 +475.22985 15.0 +476.26455 13.0 +477.23848 11.0 +480.21592 8.0 +482.1862 8.0 +485.31826 10.0 +486.29706 18.0 +487.10638 9.0 +488.29924 250.0 +488.74116 9.0 +490.18263 8.0 +491.1953 9.0 +492.27992 8.0 +496.31177 9.0 +498.30036 14.0 +502.24839 12.0 +506.25224 13.0 +508.24639 8.0 +509.21577 18.0 +517.23115 12.0 +523.3228 9.0 +527.41175 20.0 +528.34244 11.0 +535.65229 10.0 +544.33288 8.0 +549.25231 8.0 +562.28216 8.0 +564.69728 8.0 +572.34186 8.0 +573.27183 8.0 +588.54692 8.0 +589.31147 18.0 +590.24846 26.0 +592.17092 9.0 +606.68379 9.0 +608.30029 8.0 +611.34535 8.0 +615.35244 13.0 +616.32484 26.0 +633.3467 42.0 +638.2958 8.0 +649.57562 9.0 +650.67162 13.0 +651.36884 397.0 +661.36025 13.0 +735.39735 10.0 +764.45859 61.0 +764.61581 7.0 +765.46708 8.0 +766.47102 21.0 +771.80284 11.0 +771.98747 9.0 +779.35779 11.0 +807.45041 21.0 +975.60365 9.0 +END IONS +BEGIN IONS +TITLE=Cmpd 33, +MSn(480.6255), 46.3 min +PEPMASS=480.62549999999999 +CHARGE=3+ +196.12648 25.0 +196.62795 16.0 +197.13398 8.0 +199.11792 105.0 +199.18766 37.0 +200.2014 10.0 +201.14894 20.0 +205.12587 10.0 +207.12924 67.0 +209.02838 8.0 +210.10805 8.0 +213.16996 28.0 +216.13413 10.0 +217.12238 29.0 +218.14539 9.0 +219.12264 11.0 +220.1302 10.0 +227.11487 169.0 +228.17824 16.0 +232.12761 31.0 +233.16012 19.0 +234.15318 13.0 +235.12764 107.0 +239.14705 15.0 +240.14723 28.0 +244.17531 16.0 +245.12992 8.0 +246.16927 11.0 +246.64839 758.0 +249.15717 151.0 +255.18723 19.0 +258.15782 18.0 +259.1534 11.0 +259.65991 9.0 +260.14277 19.0 +260.64645 793.0 +263.12322 15.0 +264.11486 9.0 +265.13218 19.0 +266.18528 150.0 +267.70967 9.0 +268.17608 67.0 +270.21259 8.0 +271.18683 220.0 +275.1618 11.0 +277.15418 161.0 +279.16011 9.0 +282.18616 11.0 +284.1848 10.0 +286.19717 26.0 +288.21444 156.0 +290.17547 9.0 +293.13064 9.0 +294.17991 738.0 +298.1831 8.0 +299.1676 8.0 +300.20317 156.0 +318.17161 13.0 +319.17817 72.0 +320.18973 8.0 +321.18727 14.0 +323.19481 9.0 +328.18245 470.0 +329.69271 9.0 +330.1843 10.0 +333.1793 16.0 +333.67839 12.0 +334.17471 15.0 +336.18248 12.0 +339.2117 32.0 +340.2095 8.0 +341.17025 13.0 +342.18094 744.0 +342.92414 8.0 +343.68374 9.0 +344.18396 14.0 +346.16507 29.0 +347.15989 11.0 +350.21067 10.0 +354.23573 11.0 +357.22735 14.0 +359.27273 11.0 +362.18463 27.0 +363.70086 113.0 +366.26227 11.0 +368.69994 11.0 +369.19646 16.0 +370.18836 8.0 +371.24379 10.0 +373.2289 8.0 +375.21523 10.0 +377.19602 11.0 +377.70046 378.0 +379.22165 8.0 +384.27521 122.0 +386.28777 8.0 +390.18659 106.0 +392.22686 9.0 +393.22419 8.0 +395.20895 9.0 +399.27342 29.0 +401.30105 399.0 +402.17528 9.0 +407.2131 15.0 +411.28453 8.0 +413.23927 40.0 +421.21783 14.0 +427.23327 18.0 +427.72892 9.0 +433.22666 14.0 +435.23675 8.0 +443.21349 11.0 +449.24018 8.0 +453.26943 10.0 +453.71863 8.0 +460.24322 9.0 +461.23789 188.0 +466.32324 14.0 +470.29952 31.0 +470.75574 20.0 +471.25039 9.0 +474.2877 8.0 +475.25701 46.0 +476.25926 11.0 +476.7547 13.0 +477.28038 8.0 +478.2698 9.0 +479.26736 10.0 +481.27584 88.0 +483.33444 44.0 +484.34681 11.0 +485.29445 8.0 +488.29109 19.0 +492.00548 10.0 +492.2895 319.0 +495.29537 9.0 +498.35021 9.0 +500.3724 594.0 +503.25994 128.0 +509.23356 19.0 +512.35264 12.0 +514.27693 13.0 +517.32665 12.0 +518.34755 12.0 +519.3007 11.0 +520.28562 1151.0 +526.24448 8.0 +527.23791 24.0 +528.10168 8.0 +530.22984 9.0 +532.28877 20.0 +534.31382 13.0 +535.31963 12.0 +537.30364 9.0 +539.35356 11.0 +544.28344 9.0 +545.37922 8.0 +546.29723 11.0 +550.26745 8.0 +552.31784 8.0 +553.28612 8.0 +557.39389 28.0 +558.38074 10.0 +560.29116 18.0 +562.30417 9.0 +569.38648 116.0 +571.37717 10.0 +572.3754 9.0 +573.84935 9.0 +575.31988 13.0 +580.28222 9.0 +583.36582 11.0 +585.39352 76.0 +587.40931 3297.0 +588.02323 11.0 +598.28022 24.0 +615.50114 8.0 +621.43511 9.0 +629.32083 10.0 +633.37611 9.0 +637.35489 9.0 +638.33201 91.0 +647.33097 10.0 +649.34159 10.0 +650.35488 12.0 +651.35834 18.0 +652.41626 11.0 +655.35763 402.0 +658.35708 8.0 +664.34392 9.0 +665.34018 12.0 +666.33015 41.0 +667.35168 37.0 +668.46799 35.0 +669.4562 31.0 +682.36321 31.0 +683.3546 567.0 +686.48092 1137.0 +691.386 8.0 +696.39309 10.0 +708.38147 16.0 +709.37753 34.0 +710.38071 28.0 +711.40542 13.0 +712.40238 11.0 +721.35101 8.0 +724.40057 11.0 +725.3713 8.0 +726.39444 895.0 +736.39686 23.0 +737.37229 37.0 +738.36505 13.0 +739.39426 13.0 +739.50964 19.0 +740.50229 17.0 +741.52443 9.0 +754.39364 938.0 +757.52119 599.0 +760.52936 10.0 +767.50588 10.0 +799.45666 8.0 +806.09357 8.0 +809.4561 9.0 +825.47125 147.0 +853.46283 42.0 +854.46898 16.0 +855.48045 12.0 +895.4241 8.0 +902.57513 9.0 +912.49611 16.0 +918.57508 8.0 +920.59253 241.0 +922.50963 34.0 +923.50071 18.0 +935.58451 8.0 +940.49444 19.0 +1011.58957 8.0 +1031.63535 10.0 +1049.64135 24.0 +1050.64694 16.0 +1661.6149 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 34, +MSn(653.3821), 46.6 min +PEPMASS=653.38211999999999 +CHARGE=2+ +199.11294 10.0 +199.19202 11.0 +200.15216 20.0 +206.13644 50.0 +208.15732 27.0 +209.12612 8.0 +211.11907 6.0 +212.14544 7.0 +213.16909 7.0 +215.11892 9.0 +217.09011 7.0 +219.12475 16.0 +221.15306 11.0 +223.16766 611.0 +225.13052 10.0 +226.12917 137.0 +234.13588 15.0 +235.13919 6.0 +236.15215 28.0 +242.19447 14.0 +243.13865 16.0 +244.14336 13.0 +245.09659 17.0 +249.14643 14.0 +251.16246 583.0 +260.2083 88.0 +271.12216 8.0 +289.17146 7.0 +295.15737 12.0 +305.19797 6.0 +309.17288 7.0 +312.17391 21.0 +323.14821 51.0 +328.20363 11.0 +332.22089 183.0 +337.17526 14.0 +338.1636 13.0 +339.15648 13.0 +340.16572 266.0 +344.16028 16.0 +345.69726 14.0 +346.18908 29.0 +346.70062 8.0 +347.19229 8.0 +350.23221 103.0 +352.13615 8.0 +354.70539 64.0 +357.20282 33.0 +373.29408 39.0 +384.1981 7.0 +396.21388 7.0 +401.21253 8.0 +408.22299 11.0 +410.22045 27.0 +410.73027 14.0 +411.21893 7.0 +423.22372 8.0 +425.25854 51.0 +429.23607 6.0 +434.20197 7.0 +435.21917 10.0 +436.22642 17.0 +437.23198 11.0 +439.24178 8.0 +440.22492 8.0 +440.71576 8.0 +441.21829 13.0 +444.73018 34.0 +447.24507 9.0 +448.25033 7.0 +449.2205 8.0 +450.22662 17.0 +451.22582 29.0 +452.2112 45.0 +453.25372 353.0 +457.23735 57.0 +458.7307 49.0 +463.24618 12.0 +465.2527 350.0 +467.7385 72.0 +468.73828 7.0 +470.21926 44.0 +470.29856 52.0 +472.22889 9.0 +477.25625 8.0 +478.23619 11.0 +479.27067 8.0 +481.22011 22.0 +482.23771 7.0 +485.31104 7.0 +486.2713 7.0 +487.33681 209.0 +491.26867 10.0 +492.271 9.0 +493.25476 7.0 +495.23959 27.0 +496.23494 10.0 +500.36679 8.0 +506.24034 11.0 +507.30103 8.0 +509.26715 10.0 +511.25275 7.0 +514.77162 7.0 +515.27034 8.0 +519.2875 14.0 +520.27885 9.0 +521.29763 94.0 +523.78429 64.0 +525.3108 8.0 +528.22674 6.0 +531.77614 8.0 +532.28309 15.0 +532.78309 6.0 +533.30122 7.0 +534.27847 7.0 +535.30236 11.0 +536.29209 15.0 +537.31757 39.0 +539.33663 52.0 +547.27158 10.0 +548.29426 28.0 +549.30345 130.0 +554.30789 33.0 +556.30642 8.0 +561.25925 8.0 +562.31494 7.0 +563.31115 9.0 +564.29613 115.0 +566.32331 223.0 +569.27911 102.0 +574.31657 7.0 +576.29594 87.0 +578.31724 8.0 +579.31078 26.0 +581.30584 9.0 +582.28086 132.0 +586.28363 9.0 +587.40434 10.0 +588.38362 8.0 +590.33607 10.0 +591.31439 8.0 +592.29534 37.0 +594.31008 938.0 +594.92321 6.0 +598.36928 33.0 +615.4022 14.0 +616.389 34.0 +618.33228 9.0 +622.33816 13.0 +625.38663 7.0 +626.36598 7.0 +627.37599 9.0 +632.36495 7.0 +633.33146 8.0 +634.35334 7.0 +635.3473 9.0 +636.34875 13.0 +638.30635 52.0 +644.34704 8.0 +644.88329 10.0 +645.36433 12.0 +646.35146 7.0 +647.33083 6.0 +648.27069 6.0 +649.36134 10.0 +650.35034 11.0 +651.34989 33.0 +653.37812 112.0 +654.89425 6.0 +655.34807 14.0 +656.35877 6.0 +658.40932 7.0 +660.37337 8.0 +662.35299 54.0 +666.30266 32.0 +667.34109 10.0 +668.36682 13.0 +669.33827 38.0 +675.37102 6.0 +676.39766 7.0 +677.39833 49.0 +680.32468 63.0 +683.32526 106.0 +686.48298 6.0 +690.38306 14.0 +691.36809 49.0 +693.39705 9.0 +694.31045 7.0 +694.4381 7.0 +695.42559 86.0 +697.35438 59.0 +698.33259 97.0 +700.34587 9.0 +707.36046 9.0 +708.40351 82.0 +712.46252 222.0 +713.45312 334.0 +728.33637 7.0 +751.38876 37.0 +761.37586 11.0 +762.39205 6.0 +765.42061 10.0 +768.4056 30.0 +774.41048 7.0 +776.39202 9.0 +779.3924 56.0 +781.39274 7.0 +785.40526 7.0 +791.42508 10.0 +792.42954 12.0 +793.40827 16.0 +794.41378 8.0 +795.41426 7.0 +796.41445 54.0 +797.40596 93.0 +800.39683 7.0 +801.42165 29.0 +804.42002 11.0 +806.44337 7.0 +807.42053 8.0 +810.43638 9.0 +811.42591 12.0 +812.41729 7.0 +813.41863 8.0 +817.41198 7.0 +818.42262 7.0 +819.4303 93.0 +820.42299 141.0 +823.49461 26.0 +824.48384 49.0 +841.50213 130.0 +844.48625 8.0 +864.48774 6.0 +888.45682 14.0 +889.45537 7.0 +890.47903 6.0 +891.47275 7.0 +892.47973 13.0 +905.47914 34.0 +907.48135 8.0 +909.49531 39.0 +911.48429 9.0 +915.46469 10.0 +916.45413 29.0 +918.46032 9.0 +931.47988 7.0 +933.47952 92.0 +934.46972 185.0 +939.5331 10.0 +956.53974 56.0 +957.52919 97.0 +1018.56152 10.0 +1019.56257 23.0 +1020.5616 7.0 +1021.5675 7.0 +1029.54719 10.0 +1030.5323 7.0 +1038.59504 8.0 +1039.58976 11.0 +1046.56131 87.0 +1049.52832 7.0 +1055.60468 178.0 +1058.6169 10.0 +1168.70005 16.0 +1169.68955 21.0 +1170.68831 9.0 +END IONS +BEGIN IONS +TITLE=Cmpd 35, +MSn(651.3715), 47.1 min +PEPMASS=651.37154999999996 +CHARGE=1+ +206.14583 49.0 +223.16716 363.0 +226.13394 65.0 +244.10337 48.0 +251.16129 425.0 +260.20637 69.0 +312.18039 57.0 +332.21664 135.0 +340.17402 156.0 +341.16167 220.0 +350.23418 40.0 +436.24076 40.0 +449.73472 44.0 +452.19019 57.0 +453.25297 277.0 +465.25915 261.0 +487.34206 111.0 +524.23368 45.0 +549.31313 87.0 +564.29835 98.0 +566.32299 136.0 +576.29178 43.0 +582.34615 55.0 +594.31055 795.0 +683.32005 48.0 +695.42636 49.0 +697.33925 134.0 +712.4592 424.0 +801.41025 56.0 +819.42467 263.0 +822.42609 55.0 +841.48961 94.0 +933.478 204.0 +956.53685 39.0 +1018.5777 43.0 +1031.49898 42.0 +1047.54716 45.0 +1055.61375 47.0 +1408.23956 26.0 +1997.63492 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 36, +MSn(651.3696), 47.4 min +PEPMASS=651.36955999999998 +CHARGE=1+ +199.18426 11.0 +200.15382 18.0 +205.09522 8.0 +206.13378 69.0 +210.13581 45.0 +213.16787 12.0 +215.13602 11.0 +216.13318 17.0 +219.12107 28.0 +221.11241 9.0 +222.13943 11.0 +223.16584 472.0 +225.16831 10.0 +226.12928 155.0 +233.1435 8.0 +234.14035 17.0 +236.14914 24.0 +237.15957 9.0 +238.12956 44.0 +242.19944 19.0 +243.13842 17.0 +245.08936 16.0 +245.16982 9.0 +251.16255 442.0 +253.15738 10.0 +260.21044 98.0 +261.20895 10.0 +294.17772 10.0 +295.16195 13.0 +301.20115 22.0 +304.05064 8.0 +304.22394 12.0 +311.19021 13.0 +312.18738 15.0 +314.20963 12.0 +323.14758 65.0 +327.179 10.0 +328.20015 18.0 +329.22498 9.0 +332.22089 164.0 +335.17873 9.0 +337.17239 17.0 +338.1695 38.0 +340.16846 263.0 +344.165 15.0 +345.16768 9.0 +345.70037 18.0 +350.227 57.0 +354.18765 9.0 +354.7047 45.0 +356.21056 16.0 +357.21038 19.0 +366.18291 11.0 +373.29378 67.0 +375.09362 10.0 +382.15256 9.0 +384.21498 12.0 +391.21089 14.0 +392.19021 12.0 +396.21707 11.0 +397.21098 12.0 +401.20699 8.0 +402.63307 8.0 +406.18727 10.0 +409.22842 8.0 +410.21866 48.0 +411.2267 9.0 +418.22858 10.0 +423.21477 11.0 +424.24756 12.0 +425.27276 27.0 +426.25715 9.0 +429.24698 11.0 +435.23041 9.0 +436.24028 17.0 +438.23926 8.0 +439.75452 22.0 +440.71223 8.0 +441.221 14.0 +444.73535 27.0 +447.25458 31.0 +450.24235 11.0 +451.21718 22.0 +452.213 41.0 +453.25652 303.0 +458.23198 41.0 +459.23993 9.0 +465.26111 181.0 +467.24324 112.0 +469.2645 80.0 +471.26087 10.0 +472.22336 12.0 +474.36276 8.0 +476.28709 11.0 +478.26393 13.0 +479.28342 13.0 +480.26207 12.0 +481.23206 10.0 +484.32728 14.0 +485.31392 10.0 +486.30157 13.0 +487.33557 192.0 +489.28063 27.0 +490.25019 9.0 +491.24689 10.0 +492.27292 11.0 +494.25864 9.0 +495.27094 58.0 +497.30789 8.0 +498.82874 13.0 +499.21015 11.0 +500.29443 9.0 +501.28806 11.0 +502.335 69.0 +505.26609 51.0 +508.28356 9.0 +509.26861 10.0 +511.29289 23.0 +513.28757 9.0 +514.29697 42.0 +516.3067 9.0 +518.26779 9.0 +519.27327 30.0 +521.31712 40.0 +523.29857 79.0 +523.78407 23.0 +524.77247 9.0 +526.2793 10.0 +529.30713 15.0 +530.27548 9.0 +531.30589 12.0 +532.28753 38.0 +534.3249 10.0 +535.29529 22.0 +536.14152 9.0 +537.28988 24.0 +538.33665 60.0 +541.28905 9.0 +542.34883 9.0 +543.28868 14.0 +544.85019 8.0 +547.30396 9.0 +548.29311 17.0 +549.31001 102.0 +552.33292 101.0 +553.84696 79.0 +555.29376 9.0 +556.28317 11.0 +558.31127 10.0 +560.31749 10.0 +562.35002 103.0 +564.30435 68.0 +566.32881 182.0 +569.27812 68.0 +569.87382 8.0 +572.38043 12.0 +574.32973 10.0 +576.29811 84.0 +578.31131 8.0 +579.30116 21.0 +580.341 9.0 +581.36102 11.0 +582.3122 82.0 +584.25028 78.0 +588.36425 10.0 +590.33632 17.0 +591.31189 10.0 +592.32032 34.0 +594.3093 726.0 +598.38596 18.0 +599.37527 35.0 +601.39408 58.0 +602.86804 12.0 +603.31749 9.0 +604.34373 21.0 +606.35626 8.0 +609.37297 38.0 +610.38468 85.0 +610.89093 188.0 +615.38297 28.0 +618.34365 15.0 +620.35689 65.0 +621.09394 8.0 +622.37196 48.0 +624.36418 8.0 +625.35913 13.0 +625.88938 91.0 +627.39103 47.0 +630.3289 11.0 +632.35042 16.0 +634.89897 8.0 +635.39232 17.0 +636.29127 12.0 +638.31337 31.0 +641.40425 14.0 +642.37722 9.0 +644.8806 13.0 +648.35165 10.0 +649.27246 10.0 +649.37947 11.0 +650.361 70.0 +653.38683 90.0 +661.33987 11.0 +662.32441 40.0 +665.34979 9.0 +666.34034 34.0 +668.35675 9.0 +669.33952 30.0 +671.35382 9.0 +677.38194 42.0 +680.33725 59.0 +683.32688 76.0 +686.37509 10.0 +690.36308 11.0 +691.3734 47.0 +694.44248 12.0 +695.42304 71.0 +697.33765 137.0 +700.35738 9.0 +702.34222 9.0 +702.46952 9.0 +705.42235 10.0 +707.40637 12.0 +708.40212 51.0 +711.42552 8.0 +712.45926 427.0 +717.4051 11.0 +719.43595 31.0 +720.39087 8.0 +728.43702 11.0 +731.41862 10.0 +733.39631 23.0 +740.45772 10.0 +747.41865 16.0 +748.43668 15.0 +749.41819 72.0 +761.39108 10.0 +765.4308 12.0 +768.42476 32.0 +773.42412 10.0 +779.3919 48.0 +781.42952 8.0 +785.53136 18.0 +787.53721 11.0 +791.42532 45.0 +796.41004 100.0 +802.42245 22.0 +806.44562 9.0 +810.42776 12.0 +819.43005 167.0 +823.49661 67.0 +839.47958 8.0 +841.51262 42.0 +842.49827 62.0 +846.45973 11.0 +847.49136 9.0 +848.4904 48.0 +860.48859 15.0 +878.50176 42.0 +882.49551 8.0 +884.571 15.0 +885.58561 9.0 +886.59588 92.0 +887.03603 8.0 +888.43801 15.0 +888.59122 8.0 +892.4671 9.0 +893.51371 11.0 +906.48832 9.0 +909.49531 41.0 +915.45669 52.0 +933.47921 208.0 +936.48061 9.0 +939.50879 10.0 +949.43152 8.0 +956.5368 103.0 +959.55927 9.0 +961.55906 17.0 +962.57355 8.0 +978.5108 10.0 +1003.54459 8.0 +1018.56721 13.0 +1019.55425 14.0 +1046.57219 15.0 +1047.56646 23.0 +1048.54286 8.0 +1055.60853 111.0 +1168.68887 17.0 +1169.68617 17.0 +1170.6752 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 37, +MSn(571.8797), 48.3 min +PEPMASS=571.87968000000001 +CHARGE=2+ +195.12096 28.0 +197.17093 74.0 +201.13481 50.0 +205.10931 97.0 +212.14953 20.0 +213.16545 47.0 +215.16119 40.0 +222.13818 76.0 +226.135 43.0 +226.59213 22.0 +229.12625 148.0 +231.17903 27.0 +238.13025 27.0 +239.16574 58.0 +240.15628 104.0 +241.58209 11.0 +243.17586 31.0 +247.1285 10.0 +248.16348 12.0 +253.17816 16.0 +254.23792 11.0 +256.51955 11.0 +257.17149 60.0 +259.20489 32.0 +260.2108 205.0 +262.14031 17.0 +265.14163 11.0 +269.16274 15.0 +272.16203 51.0 +276.17263 17.0 +277.16394 13.0 +278.98529 12.0 +281.13495 16.0 +282.1951 10.0 +283.15111 11.0 +284.14848 35.0 +286.18599 101.0 +287.24446 14.0 +287.36795 11.0 +294.14421 16.0 +296.22296 11.0 +297.18686 10.0 +298.18429 15.0 +300.16364 21.0 +301.1654 53.0 +302.66208 11.0 +308.21286 14.0 +311.18418 14.0 +312.16005 31.0 +312.2464 25.0 +315.04269 13.0 +316.7459 18.0 +318.26812 14.0 +320.15832 10.0 +321.20633 11.0 +323.18215 12.0 +324.1604 18.0 +326.26448 40.0 +328.22391 22.0 +329.8166 11.0 +335.68949 15.0 +336.23653 12.0 +341.1959 26.0 +342.21201 195.0 +343.10736 13.0 +343.72926 13.0 +349.21378 13.0 +353.23163 13.0 +356.11591 10.0 +356.21611 22.0 +357.23281 47.0 +359.40058 11.0 +361.99173 15.0 +363.91077 13.0 +365.99524 10.0 +367.24792 30.0 +368.2341 26.0 +369.21893 59.0 +371.10274 11.0 +373.29452 170.0 +376.20568 11.0 +379.20538 62.0 +383.24032 28.0 +385.25542 128.0 +386.03725 13.0 +388.25477 41.0 +390.18806 11.0 +395.04008 15.0 +395.2423 18.0 +396.23623 12.0 +396.41757 10.0 +397.21552 80.0 +399.42661 32.0 +404.51359 17.0 +412.25087 29.0 +413.23976 43.0 +414.24728 100.0 +414.35126 16.0 +424.34221 12.0 +425.20547 11.0 +426.26685 16.0 +427.27206 42.0 +429.25 25.0 +431.30913 11.0 +433.09261 13.0 +433.27878 14.0 +434.24219 11.0 +439.34352 18.0 +441.25623 14.0 +442.27926 16.0 +448.09833 10.0 +448.31773 17.0 +450.31345 11.0 +452.27562 22.0 +454.24843 24.0 +455.30155 110.0 +461.22162 11.0 +463.26179 10.0 +464.21347 10.0 +465.17763 18.0 +465.27733 10.0 +468.29718 159.0 +472.43692 19.0 +473.28632 41.0 +477.24608 11.0 +478.27518 18.0 +479.2725 16.0 +480.30158 31.0 +481.30562 45.0 +482.30355 79.0 +484.32364 93.0 +486.30308 96.0 +491.2791 19.0 +493.28088 43.0 +494.02321 51.0 +495.30775 50.0 +496.30534 367.0 +498.82075 79.0 +500.93891 18.0 +501.32165 28.0 +502.34301 282.0 +502.7765 12.0 +505.28923 10.0 +506.28682 12.0 +507.31022 22.0 +508.30787 48.0 +510.30511 72.0 +513.3281 68.0 +514.30889 326.0 +518.21872 12.0 +521.25025 12.0 +522.32027 18.0 +523.30986 28.0 +524.00695 11.0 +524.31351 71.0 +526.33602 112.0 +528.31768 120.0 +530.37439 13.0 +531.31563 11.0 +531.77269 13.0 +534.32816 11.0 +535.32613 18.0 +536.31157 77.0 +541.05054 14.0 +541.34401 14.0 +542.34427 175.0 +550.34406 12.0 +552.37885 11.0 +553.18704 13.0 +553.33432 37.0 +557.3449 12.0 +560.34519 13.0 +562.35446 12.0 +564.38659 44.0 +568.4136 20.0 +570.30113 23.0 +571.356 14.0 +572.25074 17.0 +572.88389 12.0 +573.33301 11.0 +574.29315 19.0 +576.49903 13.0 +580.36274 30.0 +581.89842 11.0 +582.37289 51.0 +584.21823 15.0 +587.40517 26.0 +588.36152 126.0 +593.21928 21.0 +594.37637 24.0 +595.72603 12.0 +596.40724 25.0 +597.37247 35.0 +598.37126 31.0 +599.39018 61.0 +601.06648 11.0 +601.41581 216.0 +606.36537 92.0 +609.38218 111.0 +613.41158 89.0 +614.31875 12.0 +620.35934 11.0 +622.37861 42.0 +624.36965 111.0 +625.35818 158.0 +627.07688 10.0 +627.23188 12.0 +627.39631 173.0 +628.86706 13.0 +633.13349 11.0 +635.36072 31.0 +637.41301 13.0 +638.39959 17.0 +639.39545 45.0 +640.91272 13.0 +641.40655 195.0 +641.58159 13.0 +652.36471 19.0 +653.3731 12.0 +654.39715 32.0 +663.73376 11.0 +666.4424 11.0 +668.41151 10.0 +671.3907 45.0 +681.38613 23.0 +684.41552 18.0 +689.25711 12.0 +690.42141 26.0 +699.41765 24.0 +699.53209 13.0 +707.42818 20.0 +707.68085 18.0 +709.4686 16.0 +710.32972 13.0 +712.48166 16.0 +714.49757 97.0 +717.4315 51.0 +719.28501 10.0 +724.43225 10.0 +725.45712 36.0 +734.4571 11.0 +735.43598 44.0 +736.44583 171.0 +742.4858 24.0 +751.42636 18.0 +751.86047 11.0 +752.44328 98.0 +755.49024 31.0 +757.49291 11.0 +763.41442 23.0 +766.54083 18.0 +767.46166 27.0 +770.47244 245.0 +771.63564 12.0 +784.52346 12.0 +785.54236 68.0 +785.73059 12.0 +811.54456 17.0 +813.55848 12.0 +818.48571 18.0 +821.51167 10.0 +826.47316 10.0 +838.57173 16.0 +855.57314 13.0 +859.96522 23.0 +866.52067 16.0 +868.59713 17.0 +883.56319 27.0 +884.56889 39.0 +886.59422 219.0 +899.99166 11.0 +941.6885 15.0 +993.5493 15.0 +996.63422 59.0 +1015.64872 18.0 +END IONS +BEGIN IONS +TITLE=Cmpd 38, +MSn(788.9217), 48.9 min +PEPMASS=788.92170999999996 +CHARGE=2+ +197.17719 27.0 +212.11124 11.0 +213.09893 217.0 +214.17006 13.0 +217.1228 12.0 +223.15486 18.0 +225.15512 67.0 +228.2143 20.0 +229.12515 12.0 +230.11704 14.0 +234.14655 12.0 +242.19765 288.0 +254.16018 32.0 +276.18058 11.0 +281.34424 14.0 +292.2265 12.0 +294.19418 250.0 +310.19941 14.0 +311.14615 15.0 +313.16281 67.0 +321.95794 14.0 +322.23318 15.0 +323.19128 15.0 +325.20033 21.0 +326.18667 17.0 +327.17513 18.0 +329.20159 11.0 +341.18089 11.0 +347.46846 16.0 +361.22536 20.0 +369.10239 12.0 +369.18942 35.0 +384.23039 11.0 +405.13726 12.0 +405.2283 26.0 +406.22217 20.0 +407.16224 16.0 +408.22787 27.0 +423.23164 91.0 +426.24837 22.0 +437.25235 17.0 +448.2443 11.0 +452.2689 11.0 +454.28169 201.0 +464.25274 15.0 +471.2113 16.0 +473.20288 12.0 +477.25762 14.0 +478.24496 42.0 +481.23363 20.0 +482.27399 17.0 +488.28742 16.0 +489.2307 27.0 +490.21864 26.0 +491.21893 13.0 +495.26849 87.0 +504.74765 14.0 +505.21991 52.0 +507.23577 88.0 +513.27811 19.0 +513.75215 45.0 +515.28564 12.0 +517.32914 18.0 +518.20952 26.0 +520.26427 16.0 +523.26525 24.0 +524.21141 21.0 +524.29339 17.0 +525.25238 86.0 +528.28914 12.0 +531.26439 17.0 +532.3087 13.0 +533.22853 14.0 +534.31378 33.0 +535.22624 12.0 +536.28249 15.0 +538.27322 229.0 +541.52436 13.0 +543.31101 15.0 +544.29123 15.0 +544.75417 12.0 +545.28271 29.0 +552.20695 33.0 +553.27315 228.0 +553.48977 12.0 +553.76935 468.0 +554.64135 14.0 +558.11631 11.0 +558.284 88.0 +559.7842 11.0 +561.8742 12.0 +562.28096 2769.0 +562.59457 16.0 +563.02252 14.0 +568.25364 16.0 +569.25217 38.0 +569.39865 12.0 +571.31098 12.0 +571.8786 32.0 +572.29061 18.0 +572.39307 23.0 +572.77505 15.0 +573.00466 11.0 +577.32422 19.0 +577.80243 15.0 +579.5428 12.0 +585.31493 17.0 +585.76939 12.0 +586.28591 81.0 +589.36004 21.0 +589.4976 15.0 +590.27624 19.0 +591.25358 12.0 +592.31613 19.0 +593.29425 13.0 +594.31496 13.0 +599.84363 12.0 +601.25038 13.0 +602.30203 54.0 +602.78416 11.0 +607.3099 17.0 +610.32324 75.0 +610.79915 91.0 +612.76976 12.0 +613.29885 11.0 +619.28392 19.0 +619.799 221.0 +622.30623 32.0 +623.84694 13.0 +625.40582 14.0 +633.66203 12.0 +638.33473 121.0 +642.83886 13.0 +651.29703 18.0 +651.78106 11.0 +652.32789 19.0 +653.37024 13.0 +653.78166 14.0 +653.88542 11.0 +655.35921 18.0 +657.29797 12.0 +657.88545 16.0 +659.30954 45.0 +659.81709 203.0 +662.1482 13.0 +663.33198 18.0 +667.31143 16.0 +667.79935 12.0 +667.96635 12.0 +668.32341 1710.0 +668.98529 28.0 +670.53239 11.0 +670.67135 12.0 +675.22198 17.0 +678.34651 14.0 +680.30893 23.0 +681.30096 25.0 +683.3078 20.0 +684.30525 21.0 +684.9061 11.0 +685.30139 16.0 +689.34016 12.0 +697.40352 13.0 +698.30766 516.0 +700.46988 14.0 +701.32058 168.0 +703.4143 13.0 +707.93214 13.0 +709.342 18.0 +713.44558 15.0 +722.39619 12.0 +723.86101 44.0 +724.3704 22.0 +731.38743 15.0 +732.3765 478.0 +735.32272 11.0 +738.36437 18.0 +740.45071 13.0 +741.46275 13.0 +749.38388 14.0 +759.40928 13.0 +766.35394 27.0 +772.14583 11.0 +780.09048 20.0 +780.40815 17.0 +780.90627 18.0 +781.34642 19.0 +785.51444 26.0 +786.53943 15.0 +788.46224 23.0 +788.92387 466.0 +793.38009 11.0 +796.33669 13.0 +798.36166 59.0 +802.36906 12.0 +803.48924 18.0 +811.39407 322.0 +811.70109 13.0 +824.39387 12.0 +825.9452 13.0 +829.22654 19.0 +830.36777 101.0 +846.0416 17.0 +864.37293 12.0 +869.41736 15.0 +879.54552 15.0 +896.41118 14.0 +898.55179 16.0 +900.5683 13.0 +910.52287 13.0 +912.4372 247.0 +938.57432 13.0 +949.46368 19.0 +960.41852 15.0 +965.23056 14.0 +977.42944 51.0 +988.39335 14.0 +1001.64822 13.0 +1001.85214 16.0 +1009.47577 11.0 +1010.46346 20.0 +1015.57826 11.0 +1025.43606 15.0 +1026.49702 126.0 +1040.63159 13.0 +1042.46768 42.0 +1043.46396 24.0 +1044.62311 14.0 +1105.539 17.0 +1106.5581 22.0 +1121.53111 23.0 +1123.55465 978.0 +1171.55553 15.0 +1175.07319 12.0 +1189.53108 12.0 +1238.59073 109.0 +1259.17518 12.0 +1317.62686 17.0 +1335.63955 440.0 +END IONS +BEGIN IONS +TITLE=Cmpd 39, +MSn(541.3335), 49.2 min +PEPMASS=541.33349999999996 +CHARGE=3+ +195.11808 21.0 +196.14846 57.0 +198.12944 113.0 +201.1311 61.0 +209.12363 19.0 +210.10828 20.0 +210.16017 23.0 +211.14525 32.0 +212.11882 43.0 +213.10713 105.0 +213.15722 67.0 +215.1482 156.0 +224.1147 58.0 +225.16517 19.0 +226.13143 573.0 +228.17866 67.0 +229.12793 169.0 +233.17879 20.0 +242.18811 97.0 +245.13711 101.0 +254.16217 20.0 +262.16211 135.0 +266.18334 18.0 +267.15677 28.0 +268.16474 45.0 +270.14345 33.0 +276.0773 78.0 +282.16697 23.0 +292.1718 26.0 +293.67643 24.0 +294.1873 280.0 +295.17866 109.0 +297.17745 68.0 +301.20214 24.0 +302.15666 18.0 +302.69161 82.0 +306.19696 19.0 +307.15779 211.0 +310.20213 35.0 +310.6894 20.0 +311.19554 43.0 +312.19299 64.0 +313.16906 102.0 +320.17316 29.0 +323.19024 106.0 +325.19837 380.0 +330.20624 19.0 +332.18629 18.0 +333.19397 39.0 +339.21435 19.0 +340.22274 18.0 +341.19433 36.0 +342.21052 123.0 +351.18864 20.0 +354.21794 24.0 +359.21605 38.0 +360.7175 22.0 +361.20431 444.0 +367.19021 17.0 +368.22451 22.0 +369.18775 27.0 +374.71867 33.0 +379.18541 26.0 +380.22157 21.0 +381.22661 68.0 +383.71542 26.0 +384.23989 30.0 +388.72704 31.0 +389.74179 127.0 +393.18863 21.0 +394.22442 150.0 +401.25262 17.0 +403.17987 17.0 +403.7422 28.0 +405.12469 109.0 +405.22686 174.0 +411.25854 32.0 +412.22944 164.0 +418.2551 30.0 +419.2507 19.0 +420.23401 123.0 +423.23988 131.0 +426.27742 23.0 +427.27236 20.0 +429.25266 21.0 +430.25187 23.0 +432.25136 22.0 +434.25281 158.0 +434.71488 64.0 +436.74754 18.0 +438.75563 20.0 +439.26799 125.0 +441.76634 166.0 +444.25127 127.0 +447.76015 17.0 +448.76372 26.0 +449.1943 58.0 +449.76784 127.0 +450.77561 497.0 +450.92538 19.0 +451.60458 26.0 +451.92854 18.0 +453.27588 205.0 +456.26668 84.0 +456.7335 24.0 +460.26748 101.0 +460.9458 17.0 +461.7788 27.0 +462.27371 81.0 +464.25912 27.0 +464.9377 22.0 +465.25981 187.0 +465.60778 130.0 +470.29509 19.0 +472.26084 354.0 +477.25185 286.0 +482.29102 30.0 +483.2808 33.0 +484.27834 20.0 +485.28017 77.0 +488.26327 182.0 +490.27873 1770.0 +495.26989 333.0 +500.30054 32.0 +501.32218 19.0 +502.30882 28.0 +503.3183 31.0 +505.25875 30.0 +507.24737 83.0 +509.31034 32.0 +509.80961 21.0 +510.2431 28.0 +511.27901 85.0 +512.708 29.0 +513.28587 247.0 +516.25425 144.0 +517.25657 76.0 +518.68472 17.0 +521.25015 29.0 +521.71255 21.0 +522.31525 69.0 +524.22916 25.0 +524.36385 53.0 +525.25845 104.0 +526.67199 17.0 +526.80657 19.0 +529.29576 76.0 +531.28533 98.0 +534.30011 177.0 +537.35319 61.0 +538.28046 294.0 +542.30251 137.0 +543.74601 17.0 +547.26817 18.0 +548.28058 22.0 +548.70993 22.0 +549.29387 195.0 +552.20644 50.0 +552.3541 67.0 +553.27482 210.0 +555.32807 27.0 +558.24048 30.0 +558.71867 34.0 +559.228 19.0 +559.33757 28.0 +561.28361 27.0 +562.2873 189.0 +562.78266 28.0 +566.73685 20.0 +567.22617 79.0 +567.73073 43.0 +568.28763 19.0 +569.29014 18.0 +570.31229 22.0 +571.32242 252.0 +572.77989 22.0 +576.26556 32.0 +577.28685 39.0 +579.32662 23.0 +580.25325 106.0 +580.7311 18.0 +581.7784 24.0 +584.33976 20.0 +585.32314 20.0 +586.26214 17.0 +587.3355 244.0 +588.73975 27.0 +589.35003 2231.0 +589.73733 31.0 +594.33962 31.0 +596.37499 19.0 +597.32914 20.0 +599.34508 32.0 +600.35271 146.0 +605.35594 22.0 +606.36965 27.0 +607.32443 74.0 +610.34219 30.0 +611.37651 20.0 +612.36083 26.0 +615.30616 18.0 +619.37884 20.0 +620.34335 30.0 +621.3682 36.0 +622.36777 48.0 +623.3787 99.0 +628.36645 20.0 +629.37144 23.0 +630.33399 17.0 +631.29823 18.0 +635.32025 19.0 +637.35666 56.0 +639.39589 52.0 +640.32354 27.0 +641.3642 20.0 +642.37639 22.0 +646.28556 23.0 +647.35794 21.0 +648.34863 17.0 +649.35644 118.0 +657.29943 22.0 +660.31294 20.0 +663.37501 21.0 +664.33324 174.0 +664.76532 25.0 +672.77034 27.0 +673.2749 105.0 +675.37136 32.0 +676.37498 32.0 +677.40257 32.0 +679.35797 17.0 +680.31096 102.0 +683.3836 30.0 +684.41351 150.0 +686.29228 27.0 +686.79127 40.0 +689.41575 27.0 +690.41277 28.0 +691.37632 51.0 +693.39057 179.0 +694.78403 19.0 +695.32589 17.0 +695.78671 20.0 +696.28742 29.0 +697.44109 59.0 +698.30764 499.0 +700.42191 179.0 +702.43828 1012.0 +707.40935 154.0 +711.22512 24.0 +711.42285 129.0 +714.30661 27.0 +719.30273 18.0 +720.3898 27.0 +721.40135 535.0 +724.4261 34.0 +725.44136 196.0 +728.42697 24.0 +730.30018 17.0 +736.40873 18.0 +737.3271 35.0 +738.43999 105.0 +740.45865 154.0 +742.30787 28.0 +747.43005 34.0 +748.43007 72.0 +757.46878 29.0 +759.45368 23.0 +761.44595 33.0 +766.44714 30.0 +776.43812 20.0 +778.46293 20.0 +785.47386 31.0 +786.46608 32.0 +792.43966 20.0 +793.42256 19.0 +794.47059 18.0 +801.47397 84.0 +803.49016 478.0 +811.40688 112.0 +813.47852 69.0 +822.48954 20.0 +824.48334 18.0 +837.38788 18.0 +850.39927 26.0 +851.40088 18.0 +856.54001 23.0 +868.42249 784.0 +880.532 56.0 +882.5254 169.0 +896.51105 24.0 +898.52839 100.0 +900.54395 439.0 +900.74224 20.0 +905.55047 95.0 +912.45971 51.0 +918.53584 27.0 +919.52769 120.0 +923.54014 123.0 +936.54828 53.0 +938.56378 62.0 +1036.62716 23.0 +1051.66485 22.0 +1052.63696 18.0 +1070.61803 20.0 +1088.63944 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 40, +MSn(547.3378), 49.4 min +PEPMASS=547.33780999999999 +CHARGE=3+ +198.13476 441.0 +199.12206 793.0 +201.13529 475.0 +210.17001 272.0 +211.14628 143.0 +213.16572 416.0 +215.14952 128.0 +224.11596 147.0 +226.13208 4215.0 +228.17916 884.0 +229.13282 947.0 +243.15918 179.0 +245.13792 1213.0 +254.17748 201.0 +262.16395 1483.0 +266.19634 123.0 +270.1596 128.0 +276.68431 330.0 +280.17235 155.0 +282.16075 163.0 +288.69125 117.0 +294.18502 1592.0 +295.18008 1290.0 +297.20216 396.0 +297.70026 116.0 +298.16524 237.0 +302.19765 208.0 +302.69031 270.0 +303.19182 126.0 +307.18895 125.0 +311.19968 2373.0 +320.20311 586.0 +323.18336 221.0 +325.20063 4576.0 +333.19514 137.0 +339.21389 159.0 +342.23022 347.0 +343.21801 283.0 +344.20557 436.0 +347.7229 123.0 +351.7249 213.0 +352.72179 231.0 +353.22289 252.0 +359.21822 115.0 +361.23249 5357.0 +361.72687 2038.0 +367.72897 138.0 +370.7323 237.0 +377.20519 126.0 +379.18237 213.0 +381.22976 163.0 +383.27387 168.0 +387.25053 266.0 +387.74958 158.0 +388.25752 152.0 +389.74125 1340.0 +393.24904 121.0 +394.22536 1186.0 +397.24044 157.0 +397.7422 144.0 +398.24578 140.0 +402.24967 171.0 +403.74061 240.0 +404.24299 128.0 +408.27367 337.0 +409.269 133.0 +410.25249 243.0 +411.26469 234.0 +412.23581 1358.0 +416.25606 115.0 +418.26656 114.0 +419.25954 143.0 +424.26467 164.0 +425.27938 158.0 +428.77027 128.0 +429.26178 235.0 +430.25816 131.0 +436.26902 348.0 +438.26503 170.0 +439.27593 144.0 +441.27276 150.0 +441.77017 1190.0 +442.27262 356.0 +443.26943 351.0 +446.26771 122.0 +446.78377 294.0 +447.2768 378.0 +447.77923 264.0 +448.26848 203.0 +449.77176 321.0 +450.26365 353.0 +450.77802 9232.0 +453.29436 1736.0 +454.26951 1151.0 +459.60554 128.0 +459.93731 148.0 +460.26234 248.0 +460.78013 1254.0 +464.2719 149.0 +465.27373 134.0 +465.61117 2595.0 +467.28471 242.0 +468.27631 273.0 +468.78273 117.0 +469.27336 307.0 +469.78652 1102.0 +472.26413 3277.0 +477.26141 2542.0 +481.30044 174.0 +482.28899 164.0 +483.29147 208.0 +485.29322 435.0 +486.28656 151.0 +487.33802 185.0 +488.26818 632.0 +490.28061 26850.0 +492.79937 138.0 +495.2797 3874.0 +500.28999 220.0 +501.30022 438.0 +501.80658 195.0 +502.31189 168.0 +503.32527 1492.0 +505.29931 184.0 +507.32403 116.0 +508.31949 228.0 +509.31467 174.0 +510.31235 115.0 +511.29958 259.0 +512.32645 277.0 +513.28989 4328.0 +517.31916 1322.0 +521.35142 132.0 +522.32728 369.0 +523.31895 238.0 +524.35068 1674.0 +526.32674 732.0 +529.31871 130.0 +529.66322 117.0 +535.34071 676.0 +535.81516 130.0 +536.33643 292.0 +537.32973 146.0 +539.36821 156.0 +540.32713 1162.0 +547.32955 141.0 +550.34889 145.0 +552.36135 2666.0 +561.32473 147.0 +563.33308 192.0 +566.32282 143.0 +567.346 117.0 +571.33207 1677.0 +576.34285 192.0 +578.3458 154.0 +581.34967 186.0 +582.34663 148.0 +587.33672 1177.0 +589.35289 34339.0 +594.35582 261.0 +595.35191 154.0 +596.36028 464.0 +597.35945 236.0 +599.3458 294.0 +600.35353 171.0 +604.36078 167.0 +605.35509 129.0 +606.3475 180.0 +610.3493 161.0 +611.40502 466.0 +612.38536 220.0 +621.39209 1744.0 +627.3715 146.0 +628.35901 119.0 +631.36342 136.0 +639.39894 2461.0 +640.88085 152.0 +649.37435 221.0 +657.36915 167.0 +658.37018 119.0 +665.3948 141.0 +666.38552 139.0 +667.38235 226.0 +668.41311 122.0 +675.37415 432.0 +676.38575 231.0 +677.4148 150.0 +678.41442 152.0 +680.40351 228.0 +683.40528 153.0 +684.42484 382.0 +685.41927 265.0 +687.41268 132.0 +688.90507 148.0 +689.4035 230.0 +689.89963 129.0 +691.3867 125.0 +693.39447 1757.0 +696.43463 431.0 +697.43478 204.0 +697.91312 887.0 +700.42545 825.0 +702.43994 16483.0 +707.42561 208.0 +710.42939 165.0 +711.39831 575.0 +712.4554 2329.0 +720.42914 154.0 +722.44647 3470.0 +727.45381 142.0 +728.42492 300.0 +729.43158 127.0 +738.44364 318.0 +739.45296 165.0 +740.45733 6690.0 +759.4681 328.0 +760.45993 146.0 +778.47523 413.0 +785.47872 475.0 +786.47614 222.0 +788.46291 129.0 +792.45794 124.0 +794.47653 118.0 +795.4769 115.0 +796.48696 185.0 +801.4768 286.0 +803.49207 8354.0 +808.50213 130.0 +813.47844 1459.0 +824.48307 344.0 +825.48637 161.0 +839.497 121.0 +856.52129 162.0 +876.52669 136.0 +880.52333 117.0 +882.53534 2723.0 +894.54245 367.0 +895.54243 205.0 +898.53447 417.0 +899.54335 172.0 +900.54877 8685.0 +905.58144 249.0 +910.56736 230.0 +911.57024 131.0 +918.54061 192.0 +920.55299 3938.0 +936.54974 210.0 +938.56576 3814.0 +983.59205 144.0 +1001.60226 336.0 +1002.60363 150.0 +1023.66038 178.0 +1033.63104 433.0 +1049.64085 119.0 +1051.64621 1595.0 +1070.62814 287.0 +1071.62819 173.0 +1088.63729 271.0 +1089.64734 161.0 +1169.69614 161.0 +END IONS +BEGIN IONS +TITLE=Cmpd 41, +MSn(820.5029), 49.7 min +PEPMASS=820.50284999999997 +CHARGE=2+ +198.13304 140.0 +200.15987 19.0 +210.17057 45.0 +211.15316 15.0 +224.11516 36.0 +226.131 1241.0 +228.17919 149.0 +242.20063 18.0 +243.16447 25.0 +245.13381 27.0 +262.16636 54.0 +263.16162 17.0 +297.20942 52.0 +307.19214 22.0 +308.17733 21.0 +312.20151 14.0 +323.19132 34.0 +325.20084 859.0 +343.18773 14.0 +344.20525 16.0 +361.23112 96.0 +378.18984 15.0 +379.1709 48.0 +380.19178 13.0 +381.20019 28.0 +384.23772 19.0 +394.22438 59.0 +395.23483 18.0 +396.25221 16.0 +397.22062 16.0 +408.27133 50.0 +409.26605 15.0 +412.23234 246.0 +422.25116 14.0 +424.26733 34.0 +425.29043 24.0 +436.27516 24.0 +444.22837 17.0 +450.25076 45.0 +450.77677 201.0 +452.27153 20.0 +453.29867 58.0 +454.28602 26.0 +456.26949 13.0 +460.24679 17.0 +462.281 14.0 +464.26215 17.0 +467.28261 32.0 +468.26396 37.0 +469.26193 28.0 +472.27443 15.0 +473.26049 21.0 +476.26232 17.0 +477.2569 480.0 +482.28816 28.0 +483.29913 21.0 +485.2865 135.0 +490.27973 597.0 +492.79629 21.0 +495.27316 601.0 +500.29578 14.0 +501.30282 85.0 +507.33103 32.0 +509.34715 15.0 +511.28246 58.0 +512.28922 19.0 +513.2853 605.0 +517.31511 13.0 +518.31837 16.0 +524.36912 229.0 +526.81655 37.0 +527.31961 18.0 +535.34502 152.0 +538.28962 19.0 +539.2881 13.0 +540.318 18.0 +541.32907 14.0 +551.33917 16.0 +552.36849 265.0 +563.33318 26.0 +564.33625 17.0 +566.32921 14.0 +568.35148 14.0 +571.35335 21.0 +571.87525 16.0 +572.34095 15.0 +572.89893 15.0 +576.35073 33.0 +577.34632 14.0 +581.35726 22.0 +587.33519 36.0 +589.34817 467.0 +594.35254 48.0 +595.32968 14.0 +596.37055 24.0 +597.33757 17.0 +599.35569 14.0 +606.34963 17.0 +610.33803 27.0 +611.38689 30.0 +612.37747 40.0 +621.39188 29.0 +622.38827 20.0 +627.37223 17.0 +628.36794 13.0 +631.36994 18.0 +631.86186 24.0 +637.38925 25.0 +639.40285 68.0 +640.39708 59.0 +640.87686 33.0 +641.38634 32.0 +642.38239 15.0 +648.3781 27.0 +648.87251 18.0 +649.38138 212.0 +649.88617 185.0 +653.38579 16.0 +657.88053 14.0 +658.38965 229.0 +665.38088 13.0 +668.38561 20.0 +675.3846 20.0 +676.38249 17.0 +679.90096 16.0 +680.39053 15.0 +680.89906 19.0 +681.38796 20.0 +682.39222 16.0 +682.90015 18.0 +683.39852 18.0 +684.90177 52.0 +685.40551 43.0 +685.9107 18.0 +686.41045 21.0 +687.41507 14.0 +687.89478 26.0 +688.40218 31.0 +688.90436 174.0 +689.40579 433.0 +691.92041 20.0 +692.39914 23.0 +693.38346 32.0 +696.39675 14.0 +696.90869 25.0 +697.39962 82.0 +697.90799 223.0 +698.0909 19.0 +698.40768 1060.0 +702.4409 268.0 +703.76361 17.0 +704.90167 68.0 +705.4107 59.0 +705.91229 466.0 +706.41175 422.0 +706.68748 27.0 +706.91865 9022.0 +708.23278 34.0 +708.75964 18.0 +710.40974 25.0 +711.40692 40.0 +711.93721 15.0 +712.44627 36.0 +712.89884 14.0 +713.45794 42.0 +713.91674 37.0 +714.43003 33.0 +714.91822 66.0 +715.42233 25.0 +720.41446 14.0 +722.43976 37.0 +723.43318 41.0 +724.42082 18.0 +725.43311 20.0 +726.43048 17.0 +728.43421 24.0 +738.4428 32.0 +739.43996 18.0 +740.45676 197.0 +747.42492 15.0 +754.43399 17.0 +755.44636 22.0 +755.94899 31.0 +756.45302 425.0 +773.46629 16.0 +798.50604 16.0 +801.47219 22.0 +802.47975 19.0 +802.99266 17.0 +803.48646 157.0 +805.00647 14.0 +810.47346 33.0 +810.98717 18.0 +811.49855 55.0 +811.9982 43.0 +812.48742 30.0 +812.98809 25.0 +813.48864 15.0 +818.4802 27.0 +818.98563 39.0 +819.49663 184.0 +819.99645 191.0 +820.50533 3789.0 +824.48983 35.0 +825.48568 25.0 +828.01899 15.0 +882.53122 30.0 +883.52414 37.0 +896.54337 22.0 +898.52934 303.0 +900.5483 2406.0 +906.53838 13.0 +914.5301 26.0 +916.5325 13.0 +923.55409 32.0 +957.55783 35.0 +958.58067 19.0 +999.57728 29.0 +1000.57757 19.0 +1001.59837 529.0 +1008.04222 16.0 +1052.60563 52.0 +1053.62024 28.0 +1054.62452 17.0 +1070.61893 28.0 +1086.61982 74.0 +1087.62724 52.0 +1088.63527 1350.0 +1185.69327 47.0 +1186.69561 31.0 +1187.70517 688.0 +1315.77203 66.0 +1410.80385 25.0 +1411.81773 13.0 +1412.83003 177.0 +END IONS +BEGIN IONS +TITLE=Cmpd 42, +MSn(651.3724), 50.0 min +PEPMASS=651.37234999999998 +CHARGE=1+ +223.16403 276.0 +226.12677 69.0 +235.13427 42.0 +251.16139 274.0 +332.2195 101.0 +340.17322 123.0 +346.1894 58.0 +367.31556 43.0 +373.29235 44.0 +453.25947 257.0 +465.27752 73.0 +467.73633 68.0 +470.31691 72.0 +487.34756 104.0 +490.27527 55.0 +492.25883 45.0 +514.28977 46.0 +523.78361 47.0 +538.35186 54.0 +540.345 45.0 +545.72987 45.0 +548.29946 89.0 +566.35153 52.0 +569.2763 41.0 +589.34463 83.0 +594.30913 540.0 +655.45067 48.0 +662.34323 115.0 +675.37552 38.0 +676.2809 40.0 +691.34972 39.0 +693.41997 55.0 +697.34874 78.0 +702.43372 47.0 +712.46704 206.0 +728.47349 63.0 +796.41303 43.0 +803.47242 34.0 +819.43413 89.0 +841.50692 79.0 +933.46678 128.0 +1055.62164 33.0 +1468.94171 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 43, +MSn(653.3849), 50.0 min +PEPMASS=653.38490999999999 +CHARGE=2+ +198.12578 14.0 +199.10322 26.0 +199.19261 19.0 +200.15158 16.0 +201.10537 12.0 +205.14259 19.0 +206.13777 21.0 +207.1246 19.0 +211.11763 16.0 +212.14822 11.0 +213.15233 11.0 +217.12171 14.0 +221.09885 22.0 +223.16567 256.0 +225.19552 15.0 +226.12949 154.0 +229.12643 34.0 +238.13321 20.0 +242.20538 11.0 +244.16773 28.0 +246.15732 12.0 +246.87521 10.0 +249.1304 13.0 +251.15716 310.0 +256.65097 11.0 +259.43312 11.0 +260.20882 66.0 +261.16969 11.0 +262.15219 12.0 +263.10144 11.0 +267.17769 16.0 +270.13028 13.0 +281.13769 31.0 +281.73091 13.0 +284.02448 16.0 +287.20668 30.0 +290.17082 12.0 +294.20342 16.0 +297.1275 12.0 +297.21112 12.0 +304.05802 12.0 +308.91007 11.0 +310.1237 11.0 +311.21072 16.0 +312.19758 23.0 +314.19008 29.0 +317.208 14.0 +323.17667 59.0 +328.21103 17.0 +332.21832 123.0 +336.15623 11.0 +338.15715 18.0 +340.16546 112.0 +342.21079 20.0 +344.15797 12.0 +346.18167 24.0 +347.10735 11.0 +350.222 23.0 +354.70141 78.0 +356.19984 42.0 +359.95241 12.0 +361.22209 36.0 +370.43649 12.0 +373.29524 23.0 +375.15953 16.0 +378.14943 14.0 +381.18838 15.0 +382.15117 12.0 +383.24619 17.0 +384.20908 13.0 +386.88993 14.0 +392.20628 13.0 +397.21377 15.0 +403.23143 15.0 +405.22442 11.0 +408.21907 12.0 +409.23737 11.0 +410.22262 55.0 +417.00744 12.0 +417.92686 18.0 +418.29461 23.0 +423.19542 19.0 +425.27282 22.0 +426.23834 26.0 +433.9381 11.0 +435.19269 28.0 +435.28418 14.0 +436.2381 19.0 +438.35376 13.0 +440.23486 11.0 +442.34937 12.0 +442.70664 12.0 +446.26535 12.0 +448.21339 15.0 +450.22289 74.0 +450.76872 54.0 +453.26271 225.0 +455.12648 20.0 +457.80805 16.0 +458.73545 66.0 +461.19919 11.0 +462.1721 12.0 +463.22997 14.0 +464.30559 11.0 +465.26307 179.0 +467.7425 40.0 +469.23454 43.0 +470.31487 47.0 +470.72633 26.0 +472.25418 11.0 +473.83616 33.0 +474.25148 13.0 +477.23825 27.0 +481.25558 50.0 +482.24153 36.0 +483.86827 11.0 +484.96879 14.0 +485.3 18.0 +487.34268 103.0 +490.27686 121.0 +495.25064 53.0 +500.38088 12.0 +504.67074 14.0 +505.29778 25.0 +508.29154 14.0 +512.31074 20.0 +517.30626 12.0 +519.27617 11.0 +521.29387 16.0 +522.17658 18.0 +522.32277 13.0 +523.28779 85.0 +523.96502 17.0 +524.29308 75.0 +531.28563 40.0 +532.91316 13.0 +533.23918 13.0 +535.40499 12.0 +538.33504 141.0 +539.64001 12.0 +547.27196 24.0 +548.3445 13.0 +549.3131 48.0 +552.34398 21.0 +553.3287 77.0 +557.24957 22.0 +560.28411 14.0 +562.30579 12.0 +564.29132 56.0 +566.31075 116.0 +568.21927 20.0 +569.27294 21.0 +571.28959 15.0 +574.34744 28.0 +574.94364 11.0 +576.30298 40.0 +576.82053 12.0 +578.31602 14.0 +579.27932 50.0 +582.3082 102.0 +587.36857 21.0 +589.35461 112.0 +592.16326 13.0 +592.47481 11.0 +593.30282 21.0 +594.30976 442.0 +596.67758 11.0 +598.3736 37.0 +601.11378 14.0 +605.30577 11.0 +606.71048 12.0 +611.37484 38.0 +612.23272 12.0 +615.40266 26.0 +619.25968 11.0 +621.06112 11.0 +621.39775 14.0 +623.41871 12.0 +625.87834 18.0 +626.41618 11.0 +632.4106 12.0 +636.38829 15.0 +638.33384 12.0 +640.31426 12.0 +646.36481 17.0 +650.32686 11.0 +651.36504 15.0 +653.38715 48.0 +656.33457 31.0 +656.72848 13.0 +660.37549 30.0 +662.3765 20.0 +666.30337 16.0 +669.46606 11.0 +672.44471 14.0 +674.34864 13.0 +677.42557 16.0 +679.34121 28.0 +681.33705 26.0 +682.41172 23.0 +683.32686 63.0 +691.37742 73.0 +692.42852 45.0 +695.43563 86.0 +697.34667 64.0 +702.31881 13.0 +702.43827 40.0 +708.40398 20.0 +712.4631 238.0 +718.37411 12.0 +720.39209 13.0 +722.33392 13.0 +740.4386 21.0 +745.42152 13.0 +749.43974 29.0 +752.48272 16.0 +760.37235 37.0 +772.45792 16.0 +774.43545 14.0 +779.40947 15.0 +781.41253 13.0 +785.83419 11.0 +788.39684 13.0 +796.4071 41.0 +797.41517 60.0 +799.47279 12.0 +802.41411 26.0 +807.48932 12.0 +812.39002 21.0 +813.28917 12.0 +814.48012 13.0 +819.43796 103.0 +836.48346 15.0 +841.5189 43.0 +849.48759 11.0 +864.38963 14.0 +872.46499 11.0 +886.59009 12.0 +892.32519 17.0 +893.71366 17.0 +900.53016 56.0 +905.48115 30.0 +908.48852 24.0 +911.38181 29.0 +911.68384 13.0 +916.46362 28.0 +933.48313 56.0 +934.48028 91.0 +943.99054 11.0 +956.5408 35.0 +1031.80777 11.0 +1046.54917 25.0 +1047.56758 16.0 +1055.59727 22.0 +1056.61404 32.0 +1062.59854 12.0 +1123.53727 11.0 +1129.41423 12.0 +1169.71012 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 44, +MSn(642.3806), 52.0 min +PEPMASS=642.38063 +CHARGE=2+ +199.12011 141.0 +207.1209 41.0 +213.08618 12.0 +215.11502 13.0 +217.12104 52.0 +219.15355 14.0 +221.15449 10.0 +223.14832 12.0 +226.1333 28.0 +226.20846 13.0 +227.11532 279.0 +228.18202 17.0 +235.13057 361.0 +238.70839 12.0 +240.13892 23.0 +241.06618 15.0 +245.13738 12.0 +247.1145 15.0 +251.13568 12.0 +258.16131 25.0 +263.15434 12.0 +265.13872 29.0 +268.17856 17.0 +268.6369 11.0 +271.19348 24.0 +286.1534 22.0 +287.56088 27.0 +288.20692 34.0 +292.18955 14.0 +294.16174 12.0 +296.12292 17.0 +299.74876 15.0 +300.19937 14.0 +302.11181 16.0 +305.70175 14.0 +308.19094 14.0 +309.10439 11.0 +310.19207 13.0 +311.16276 11.0 +314.13872 16.0 +318.17223 53.0 +320.06177 12.0 +324.21512 11.0 +326.16344 12.0 +328.1587 66.0 +334.19487 14.0 +340.17076 15.0 +341.1567 18.0 +344.15134 15.0 +346.16737 447.0 +346.63643 14.0 +347.69462 13.0 +347.86267 12.0 +350.83313 12.0 +355.08726 11.0 +361.237 18.0 +364.17528 22.0 +365.6791 11.0 +367.248 12.0 +371.3374 21.0 +374.68238 11.0 +375.25025 11.0 +377.7066 13.0 +381.18134 17.0 +382.25096 13.0 +384.27175 90.0 +388.16374 11.0 +388.87808 13.0 +389.66703 13.0 +390.18026 134.0 +400.17182 31.0 +401.30663 27.0 +403.1965 13.0 +417.93424 13.0 +424.23801 15.0 +428.18777 11.0 +429.26678 11.0 +429.94249 13.0 +433.23088 29.0 +442.32353 13.0 +442.77317 18.0 +443.20737 16.0 +448.28758 12.0 +449.19303 28.0 +451.99006 13.0 +452.30319 14.0 +453.29015 15.0 +454.21208 13.0 +455.24004 17.0 +458.31052 18.0 +461.22038 187.0 +465.17029 11.0 +466.30438 19.0 +468.72128 15.0 +469.33062 11.0 +470.31464 19.0 +470.95573 11.0 +471.2503 13.0 +473.22858 33.0 +475.24574 13.0 +481.22919 46.0 +482.36799 18.0 +483.35299 26.0 +484.34751 29.0 +486.28662 12.0 +488.31359 18.0 +490.27844 42.0 +492.55674 16.0 +495.24931 27.0 +497.63072 12.0 +499.25416 37.0 +500.37211 89.0 +502.271 67.0 +504.2815 16.0 +509.23097 51.0 +512.34662 13.0 +515.26655 38.0 +516.81088 14.0 +518.25487 11.0 +520.28195 16.0 +524.76404 13.0 +527.23645 45.0 +527.32857 47.0 +530.31099 30.0 +530.46079 13.0 +532.28228 70.0 +535.33751 27.0 +540.34352 12.0 +543.2762 14.0 +544.59467 12.0 +548.27821 76.0 +556.39573 11.0 +558.26882 12.0 +559.8413 12.0 +560.29125 112.0 +564.31115 11.0 +564.81213 16.0 +565.34191 13.0 +565.99072 11.0 +567.30357 11.0 +569.33243 55.0 +570.76364 11.0 +573.85 195.0 +573.97139 29.0 +576.28976 55.0 +579.28252 26.0 +580.30368 94.0 +585.38343 11.0 +585.97137 25.0 +587.40413 483.0 +587.84136 11.0 +590.34052 16.0 +597.27268 11.0 +597.38823 13.0 +598.27647 15.0 +599.84225 11.0 +600.32043 13.0 +601.35993 41.0 +604.48961 13.0 +605.35253 19.0 +606.29876 14.0 +609.36879 12.0 +612.4574 21.0 +617.36321 25.0 +618.4347 14.0 +619.36626 15.0 +624.12844 11.0 +624.38293 27.0 +624.87374 54.0 +628.36852 13.0 +629.32112 49.0 +632.36411 33.0 +632.88112 21.0 +633.17824 14.0 +633.37829 1530.0 +636.25254 11.0 +639.28096 15.0 +642.38046 117.0 +645.35435 26.0 +647.32854 120.0 +651.35298 33.0 +652.50482 11.0 +653.37796 11.0 +661.3599 12.0 +663.3004 12.0 +664.35195 11.0 +668.46384 36.0 +679.33811 41.0 +682.36262 12.0 +684.37882 13.0 +686.47776 402.0 +686.82124 17.0 +690.90986 13.0 +697.33066 12.0 +697.58103 15.0 +698.2888 11.0 +703.43989 24.0 +712.45931 12.0 +713.45929 12.0 +718.43097 11.0 +719.58394 11.0 +720.35502 14.0 +728.39396 43.0 +737.44126 13.0 +737.85367 12.0 +739.49762 33.0 +741.43435 15.0 +744.42162 29.0 +746.39992 12.0 +748.37535 46.0 +754.46226 47.0 +756.63954 11.0 +757.16436 12.0 +757.35681 20.0 +757.51919 555.0 +766.38597 98.0 +784.3905 21.0 +803.49272 21.0 +804.71806 19.0 +819.4522 12.0 +833.39013 12.0 +837.46385 22.0 +848.48164 12.0 +850.44872 13.0 +855.46482 15.0 +859.36131 18.0 +859.48726 12.0 +860.95815 16.0 +865.45448 67.0 +871.54705 11.0 +878.58064 22.0 +896.95326 11.0 +918.56041 20.0 +920.58966 828.0 +921.58606 329.0 +934.57391 13.0 +938.61109 18.0 +950.55383 24.0 +978.54311 45.0 +985.50128 16.0 +997.59326 13.0 +998.50461 11.0 +1031.62373 17.0 +1032.61343 17.0 +1049.63612 340.0 +1050.95105 11.0 +1092.62436 13.0 +1128.6755 11.0 +1129.69109 14.0 +1135.66627 11.0 +1144.67547 18.0 +1146.69272 412.0 +1147.00794 11.0 +1162.6868 13.0 +1165.68165 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 45, +MSn(627.6699), 52.9 min +PEPMASS=627.66990999999996 +CHARGE=3+ +197.13717 16.0 +199.11248 27.0 +209.1395 17.0 +213.10062 188.0 +215.15332 75.0 +219.17587 18.0 +226.16613 210.0 +230.12726 26.0 +235.15952 23.0 +237.1333 19.0 +244.17728 977.0 +254.17406 58.0 +265.13739 33.0 +280.14075 19.0 +282.16523 16.0 +286.18006 19.0 +301.6539 16.0 +302.15329 16.0 +303.70895 15.0 +310.11374 18.0 +314.14687 36.0 +315.65798 247.0 +324.66292 164.0 +337.18223 26.0 +342.14457 350.0 +343.24495 172.0 +346.14452 43.0 +351.17754 427.0 +356.07045 15.0 +358.15686 23.0 +360.18226 164.0 +364.20148 27.0 +376.17176 21.0 +377.1862 18.0 +398.17301 20.0 +402.72502 68.0 +408.58584 18.0 +414.20339 49.0 +415.20654 22.0 +415.48574 16.0 +416.72634 162.0 +421.73909 20.0 +423.72732 16.0 +425.18625 172.0 +431.21888 22.0 +435.72981 15.0 +441.22916 17.0 +443.19549 256.0 +444.24481 171.0 +444.74692 126.0 +445.24157 124.0 +447.25545 18.0 +449.23481 28.0 +453.2536 92.0 +456.2378 16.0 +458.24348 232.0 +458.96748 20.0 +461.21143 18.0 +463.23104 26.0 +465.24794 46.0 +465.7501 215.0 +467.25178 2261.0 +472.10038 19.0 +472.22479 24.0 +473.75153 23.0 +474.0419 19.0 +474.25641 29.0 +474.75554 5034.0 +477.29325 19.0 +477.88207 20.0 +479.25663 16.0 +481.22125 34.0 +482.22665 25.0 +483.25191 26.0 +487.25507 18.0 +487.76612 23.0 +488.25429 25.0 +490.28134 57.0 +491.20158 192.0 +492.77512 299.0 +494.27146 37.0 +498.24324 23.0 +503.27225 17.0 +503.76253 19.0 +506.29476 370.0 +508.27717 31.0 +509.2059 175.0 +511.29159 22.0 +511.82448 20.0 +515.2705 16.0 +515.78073 16.0 +516.26725 204.0 +519.19412 28.0 +520.2997 34.0 +524.26792 35.0 +525.27922 951.0 +528.96467 17.0 +529.33549 33.0 +530.26899 49.0 +531.2496 17.0 +533.2656 199.0 +537.21731 20.0 +539.29323 16.0 +540.33403 18.0 +542.2633 57.0 +543.2535 30.0 +544.24942 58.0 +545.24157 31.0 +546.26542 20.0 +547.62389 16.0 +550.29583 23.0 +552.30597 20.0 +554.26776 24.0 +557.28542 15.0 +558.28349 40.0 +559.29171 22.0 +560.25811 404.0 +564.28843 204.0 +568.27746 17.0 +569.2706 23.0 +570.24801 115.0 +570.42373 24.0 +572.82049 25.0 +573.31359 35.0 +573.79831 15.0 +574.29446 19.0 +575.34795 18.0 +576.31642 17.0 +578.27074 718.0 +582.34802 19.0 +588.25519 968.0 +599.29255 24.0 +600.35106 19.0 +600.84723 16.0 +602.30838 27.0 +603.29877 51.0 +604.29515 53.0 +605.31119 28.0 +606.26959 1491.0 +606.91792 19.0 +610.80257 15.0 +613.28742 25.0 +615.32001 35.0 +615.65276 20.0 +616.3181 61.0 +616.67661 21.0 +618.29964 30.0 +619.30623 19.0 +620.32041 163.0 +621.66698 715.0 +624.29751 19.0 +626.43213 23.0 +627.38563 36.0 +628.3533 44.0 +628.82356 177.0 +630.30869 324.0 +635.27692 19.0 +636.28311 23.0 +637.82354 15.0 +642.30832 17.0 +643.31694 19.0 +644.29961 17.0 +647.32252 29.0 +648.31857 633.0 +649.79377 19.0 +656.32695 23.0 +657.32645 44.0 +658.32652 22.0 +658.45813 16.0 +659.31661 40.0 +660.32607 53.0 +661.31956 39.0 +661.82224 20.0 +662.3402 23.0 +663.35554 15.0 +664.31828 20.0 +665.35283 38.0 +665.85524 17.0 +666.33693 54.0 +669.30575 17.0 +670.33044 453.0 +673.34623 40.0 +674.33949 219.0 +674.48666 16.0 +676.1213 15.0 +677.34161 537.0 +679.3412 522.0 +687.32575 456.0 +691.3602 1340.0 +701.3478 216.0 +705.33379 1723.0 +709.90681 17.0 +716.36821 15.0 +718.39025 92.0 +719.35725 4135.0 +719.79566 15.0 +720.03441 25.0 +721.89474 15.0 +723.58216 18.0 +725.80679 17.0 +735.35633 27.0 +736.41357 548.0 +741.43505 32.0 +745.38064 17.0 +751.8761 45.0 +752.38774 34.0 +752.55101 17.0 +760.89217 20.0 +761.38777 39.0 +762.38218 39.0 +769.39766 22.0 +771.38827 16.0 +773.37323 19.0 +774.39079 19.0 +775.51314 19.0 +778.39227 26.0 +780.41484 17.0 +786.43147 31.0 +787.42331 79.0 +788.39998 132.0 +796.42035 15.0 +802.40588 83.0 +804.44277 1247.0 +805.66363 17.0 +809.83888 25.0 +811.40981 27.0 +814.45068 25.0 +815.41766 51.0 +815.56744 16.0 +816.43831 33.0 +817.43902 28.0 +818.40991 26.0 +821.44926 20.0 +830.42956 47.0 +831.43472 15.0 +832.4454 3109.0 +837.15566 19.0 +840.59015 18.0 +846.45603 16.0 +848.45167 16.0 +851.4462 676.0 +861.45753 45.0 +871.47014 20.0 +873.46946 15.0 +887.48167 29.0 +888.47237 59.0 +889.47586 431.0 +901.47927 17.0 +905.49992 622.0 +915.47968 262.0 +930.49293 78.0 +933.49628 1400.0 +946.48157 19.0 +947.51569 17.0 +948.50381 2202.0 +1049.55116 219.0 +1088.1124 15.0 +1543.87911 16.0 +END IONS +BEGIN IONS +TITLE=Cmpd 46, +MSn(710.3774), 53.2 min +PEPMASS=710.37738000000002 +CHARGE=2+ +195.10077 99.0 +197.13965 23.0 +198.13514 17.0 +199.12149 16.0 +201.1348 61.0 +211.13156 50.0 +213.13429 16.0 +215.14874 130.0 +219.09718 19.0 +221.11671 131.0 +223.15668 25.0 +224.11458 15.0 +225.13638 13.0 +226.12164 14.0 +227.10783 26.0 +233.16333 18.0 +234.1351 31.0 +237.11485 20.0 +238.13577 26.0 +239.12724 590.0 +243.15415 74.0 +245.1099 58.0 +250.12696 13.0 +251.16432 140.0 +255.11833 17.0 +257.12537 18.0 +261.16758 31.0 +262.16754 46.0 +264.18631 26.0 +267.11953 31.0 +271.14063 52.0 +272.12333 121.0 +274.14193 120.0 +279.16172 94.0 +283.22055 15.0 +284.10704 13.0 +289.14889 476.0 +294.20478 105.0 +302.12473 94.0 +306.20074 31.0 +307.15731 1785.0 +312.16472 15.0 +314.25358 14.0 +316.185 134.0 +320.18333 732.0 +323.18651 56.0 +329.21818 13.0 +333.11254 25.0 +334.20106 92.0 +336.18199 71.0 +338.19555 1044.0 +343.18833 14.0 +344.18795 17.0 +346.20324 16.0 +351.17849 19.0 +352.21336 143.0 +356.21106 25.0 +357.19127 20.0 +358.18302 67.0 +362.20581 39.0 +367.2106 25.0 +369.19604 17.0 +370.18512 18.0 +376.20435 18.0 +380.20202 70.0 +385.19246 108.0 +391.22341 15.0 +393.24117 42.0 +394.22876 84.0 +395.21338 150.0 +400.69786 24.0 +403.18839 46.0 +406.23631 23.0 +411.24342 117.0 +415.19987 114.0 +419.23327 17.0 +420.2432 340.0 +421.23377 596.0 +427.24683 17.0 +430.2279 22.0 +431.19631 94.0 +434.23788 23.0 +434.71687 63.0 +436.22841 27.0 +437.23262 50.0 +439.24436 939.0 +446.23846 15.0 +447.28819 16.0 +448.23576 32.0 +449.18669 258.0 +451.26471 15.0 +453.25552 19.0 +454.25905 13.0 +455.2502 72.0 +458.27116 56.0 +459.74273 14.0 +461.2191 17.0 +462.14029 19.0 +462.25462 13.0 +465.30984 20.0 +466.20546 20.0 +468.25829 18.0 +470.26461 17.0 +471.27139 129.0 +475.26831 123.0 +477.21096 13.0 +480.17936 32.0 +480.30051 53.0 +481.25948 124.0 +482.75215 17.0 +486.26117 13.0 +486.74899 17.0 +487.2606 51.0 +488.27919 30.0 +489.27463 123.0 +491.25692 94.0 +493.28058 41.0 +496.25891 21.0 +497.25739 24.0 +498.24574 58.0 +499.27426 297.0 +500.76116 150.0 +503.27972 13.0 +504.25675 26.0 +505.23787 17.0 +506.32344 284.0 +508.29159 206.0 +513.27369 20.0 +514.25351 63.0 +516.26366 438.0 +522.25584 26.0 +523.29962 19.0 +524.33197 263.0 +526.24065 20.0 +527.27904 22.0 +528.26521 125.0 +531.2768 404.0 +534.31263 1334.0 +539.30985 17.0 +540.27879 16.0 +541.28323 17.0 +543.29671 14.0 +544.26436 276.0 +546.77407 55.0 +549.29039 1201.0 +549.77419 13.0 +552.33188 754.0 +555.7961 261.0 +559.28132 14.0 +560.27701 14.0 +561.28462 24.0 +562.27876 471.0 +564.80907 64.0 +567.32251 18.0 +568.28553 93.0 +570.78605 82.0 +573.30901 74.0 +575.24324 172.0 +579.29724 145.0 +581.28066 25.0 +582.30626 15.0 +583.30552 104.0 +587.80285 13.0 +588.29314 119.0 +588.80845 25.0 +592.29838 50.0 +592.79996 131.0 +596.29659 14.0 +597.30265 14.0 +598.32036 15.0 +599.30603 25.0 +600.30789 64.0 +600.83224 14.0 +601.31073 3069.0 +602.96141 17.0 +604.32283 18.0 +606.29156 21.0 +607.31995 23.0 +608.32739 15.0 +609.29881 74.0 +609.8087 22.0 +610.31635 2160.0 +613.83232 14.0 +615.30182 27.0 +616.3182 21.0 +617.30656 30.0 +618.32413 117.0 +625.33033 25.0 +627.31762 116.0 +630.32629 138.0 +635.32503 176.0 +639.61448 15.0 +639.7994 13.0 +640.36836 22.0 +641.3517 15.0 +642.31837 78.0 +645.31956 446.0 +653.33799 338.0 +655.86023 15.0 +657.35137 46.0 +657.85361 178.0 +660.31652 14.0 +661.3088 15.0 +662.32958 16.0 +663.33105 183.0 +664.32435 603.0 +666.85169 103.0 +669.36096 20.0 +671.34266 424.0 +671.85253 20.0 +674.85115 15.0 +675.34575 197.0 +681.39416 310.0 +683.85307 25.0 +684.35611 119.0 +686.34406 19.0 +687.33961 72.0 +691.36304 17.0 +692.36738 120.0 +694.32674 90.0 +698.37524 31.0 +699.40253 391.0 +701.37285 650.0 +704.32835 62.0 +709.37053 17.0 +709.87686 23.0 +710.379 487.0 +713.39753 20.0 +714.35144 16.0 +715.35944 16.0 +719.34179 64.0 +721.34376 1834.0 +721.90466 13.0 +723.07862 15.0 +730.40029 26.0 +731.3803 76.0 +738.38907 104.0 +744.37804 16.0 +748.40875 80.0 +752.38638 15.0 +754.36622 29.0 +755.38794 21.0 +756.41668 76.0 +758.41182 131.0 +765.35407 14.0 +766.42489 23.0 +767.42049 13.0 +772.38817 67.0 +776.40885 202.0 +780.3478 16.0 +781.34633 13.0 +782.37891 346.0 +793.42862 22.0 +794.41561 14.0 +800.38845 416.0 +804.45212 14.0 +807.39979 23.0 +808.40772 17.0 +810.4108 15.0 +818.41156 25.0 +825.45611 18.0 +827.42371 16.0 +833.41663 13.0 +835.40563 52.0 +844.43508 15.0 +850.41634 40.0 +851.41828 66.0 +853.44933 203.0 +866.41261 14.0 +867.45871 56.0 +868.42646 2104.0 +873.46176 42.0 +885.46725 105.0 +891.48904 13.0 +895.46425 230.0 +899.4489 15.0 +901.45351 13.0 +912.49748 13.0 +913.47943 193.0 +918.44365 13.0 +930.50491 18.0 +935.46651 17.0 +936.45683 13.0 +937.46131 13.0 +946.24092 13.0 +948.48866 16.0 +954.51633 24.0 +956.48078 16.0 +963.49217 21.0 +964.49491 28.0 +965.4898 16.0 +972.51099 26.0 +973.5312 15.0 +979.48361 18.0 +981.50657 1274.0 +991.53164 24.0 +999.50575 20.0 +1000.51505 455.0 +1045.52743 13.0 +1048.54295 13.0 +1055.50273 22.0 +1056.5077 25.0 +1064.55281 99.0 +1073.49513 26.0 +1074.52718 22.0 +1080.54741 30.0 +1081.55724 15.0 +1082.55983 1008.0 +1092.54087 70.0 +1095.58176 97.0 +1113.59459 38.0 +1114.60091 34.0 +1201.61366 14.0 +1202.62352 13.0 +1219.62784 68.0 +END IONS +BEGIN IONS +TITLE=Cmpd 47, +MSn(473.9208), 53.3 min +PEPMASS=473.92077999999998 +CHARGE=3+ +195.10106 450.0 +197.12497 403.0 +198.13263 103.0 +199.10129 118.0 +201.12796 273.0 +203.63062 284.0 +205.11399 496.0 +206.1254 272.0 +209.07965 48.0 +210.63269 205.0 +211.1273 505.0 +211.63062 46.0 +215.14891 788.0 +217.09468 887.0 +219.63969 173.0 +220.133 400.0 +221.11585 2006.0 +223.16223 147.0 +225.13112 417.0 +227.09764 197.0 +231.15756 110.0 +231.59324 179.0 +233.16266 137.0 +234.13982 136.0 +235.13908 107.0 +237.10974 69.0 +238.13989 231.0 +239.12848 2212.0 +240.13604 364.0 +240.65755 696.0 +242.16151 104.0 +243.14169 405.0 +244.13682 183.0 +245.09095 1380.0 +245.65592 62.0 +246.13178 457.0 +248.14886 284.0 +249.1375 281.0 +251.16031 835.0 +253.66766 2083.0 +255.10007 97.0 +256.12416 140.0 +257.13371 488.0 +260.17344 80.0 +261.1668 115.0 +261.66811 111.0 +262.16836 1801.0 +262.67448 6368.0 +266.14346 166.0 +267.1271 127.0 +267.66409 175.0 +269.18409 86.0 +270.15924 60.0 +270.66016 73.0 +271.14975 1037.0 +272.12234 742.0 +274.13524 1404.0 +275.14902 181.0 +276.66889 408.0 +279.15944 141.0 +279.66667 58.0 +280.16823 107.0 +282.1793 168.0 +282.67535 62.0 +284.11858 606.0 +284.65541 65.0 +285.64841 76.0 +288.12424 64.0 +289.14537 3511.0 +290.66247 78.0 +291.67513 705.0 +293.65666 901.0 +296.17587 134.0 +299.66788 146.0 +300.16758 78.0 +301.16441 74.0 +302.11375 2854.0 +304.68894 828.0 +305.18405 195.0 +306.18708 485.0 +307.15748 12608.0 +312.16849 122.0 +312.69058 64.0 +313.17094 125.0 +313.69571 1708.0 +315.15832 350.0 +316.18623 740.0 +318.68998 200.0 +319.18822 170.0 +319.69657 50.0 +320.17814 2399.0 +322.68068 52.0 +323.66241 243.0 +324.17993 379.0 +325.21124 116.0 +326.19506 47.0 +327.19586 1382.0 +329.22662 193.0 +330.18444 106.0 +332.18858 71.0 +332.66505 392.0 +333.10644 206.0 +334.19976 919.0 +335.70192 44.0 +336.20447 3020.0 +338.19477 5207.0 +341.71009 57.0 +342.71158 96.0 +343.18433 46.0 +344.19286 71.0 +346.70819 41.0 +347.20394 68.0 +348.18587 66.0 +348.69794 43.0 +349.19606 79.0 +350.20645 173.0 +351.19666 271.0 +352.20753 1302.0 +352.67482 48.0 +355.71185 436.0 +357.18137 159.0 +358.17732 791.0 +362.1999 388.0 +364.7201 451.0 +367.21734 199.0 +368.18161 58.0 +369.19103 972.0 +369.71272 41.0 +373.1984 54.0 +375.20473 160.0 +376.21638 100.0 +377.20787 128.0 +378.20094 74.0 +378.71352 132.0 +380.207 471.0 +385.17216 597.0 +387.20039 437.0 +391.22485 61.0 +393.24267 842.0 +395.21297 1888.0 +401.19219 68.0 +402.23685 53.0 +403.20578 473.0 +406.25397 408.0 +411.24353 867.0 +415.19811 1190.0 +418.21907 61.0 +419.25834 76.0 +420.24346 3994.0 +421.23577 7349.0 +425.71257 48.0 +426.20846 45.0 +427.21987 60.0 +430.23923 122.0 +431.21785 85.0 +432.2254 168.0 +433.23437 158.0 +434.22186 76.0 +434.71358 308.0 +436.23762 87.0 +437.26566 117.0 +438.24949 96.0 +439.24613 8304.0 +444.16385 40.0 +446.19124 70.0 +447.28131 93.0 +449.20008 348.0 +451.25839 177.0 +452.24934 110.0 +453.26487 148.0 +454.27007 91.0 +455.25551 69.0 +456.25406 75.0 +457.26546 130.0 +458.27074 127.0 +459.26572 61.0 +460.24563 62.0 +461.23151 40.0 +462.1792 688.0 +463.27947 89.0 +464.27336 49.0 +465.29213 125.0 +466.234 68.0 +467.24687 88.0 +468.26255 99.0 +469.26866 77.0 +470.2705 63.0 +471.27768 397.0 +475.28566 772.0 +477.24968 451.0 +480.30782 778.0 +484.22885 94.0 +485.27611 258.0 +488.30888 222.0 +489.29617 245.0 +490.28917 467.0 +493.28886 447.0 +496.26954 272.0 +497.26773 466.0 +499.2774 676.0 +501.20358 59.0 +504.30581 74.0 +505.2852 52.0 +506.32804 2444.0 +508.30512 1384.0 +512.22025 81.0 +513.26015 376.0 +516.2899 1282.0 +522.31323 90.0 +523.28632 303.0 +524.34169 2656.0 +528.30187 65.0 +529.23189 199.0 +530.22298 161.0 +531.27965 5769.0 +534.32089 9713.0 +539.28228 75.0 +540.28826 75.0 +541.29223 1020.0 +544.27041 149.0 +545.28171 50.0 +546.32093 195.0 +547.24834 475.0 +549.29077 7047.0 +552.3305 4539.0 +556.30708 187.0 +557.23737 179.0 +558.24442 46.0 +559.28066 114.0 +561.28935 41.0 +562.2756 249.0 +563.33052 139.0 +564.33142 156.0 +565.326 91.0 +568.30389 451.0 +573.318 161.0 +574.32124 41.0 +575.2412 757.0 +579.3045 69.0 +580.31043 56.0 +581.35447 144.0 +582.34017 57.0 +583.31261 41.0 +584.32696 76.0 +585.30063 76.0 +586.30603 332.0 +590.25243 49.0 +591.34447 477.0 +593.28292 117.0 +594.31117 70.0 +598.33175 82.0 +599.32049 71.0 +601.3123 148.0 +601.81077 90.0 +602.31935 50.0 +607.31918 50.0 +609.35718 241.0 +610.33658 121.0 +611.36688 246.0 +618.32813 41.0 +625.3306 152.0 +626.38414 105.0 +628.30483 123.0 +629.30937 479.0 +636.36892 80.0 +637.37479 45.0 +640.35949 93.0 +642.31565 152.0 +643.33752 170.0 +644.33065 69.0 +645.321 73.0 +646.3134 356.0 +647.35259 463.0 +653.38445 576.0 +658.32568 41.0 +662.31217 56.0 +663.36834 105.0 +664.32283 4941.0 +669.38277 59.0 +671.40167 611.0 +676.32835 47.0 +679.3636 43.0 +681.39343 724.0 +685.32687 104.0 +686.31824 81.0 +694.3278 44.0 +697.39342 113.0 +699.40562 758.0 +703.33552 1761.0 +710.41642 185.0 +719.33021 120.0 +720.36935 63.0 +721.3458 13227.0 +728.43292 151.0 +731.33793 70.0 +738.4027 390.0 +756.41977 500.0 +772.39016 45.0 +782.38041 80.0 +783.38585 40.0 +800.39149 106.0 +801.39262 41.0 +835.42727 41.0 +850.40934 165.0 +851.41542 85.0 +853.44655 154.0 +854.45699 99.0 +868.41989 1277.0 +871.46229 662.0 +972.51322 40.0 +981.5006 56.0 +982.50712 72.0 +983.51175 45.0 +1000.51361 100.0 +1001.50963 50.0 +END IONS +BEGIN IONS +TITLE=Cmpd 48, +MSn(734.4005), 53.4 min +PEPMASS=734.40051000000005 +CHARGE=2+ +195.0903 26.0 +197.13461 210.0 +201.12429 34.0 +203.12924 46.0 +207.12514 738.0 +213.10055 207.0 +215.14993 381.0 +217.10969 3116.0 +221.13623 236.0 +226.16185 386.0 +230.12629 41.0 +231.12018 91.0 +233.15181 32.0 +235.12168 816.0 +239.12437 77.0 +240.17806 41.0 +241.16992 27.0 +242.16054 57.0 +243.12592 100.0 +244.17723 2309.0 +249.13615 255.0 +254.1587 56.0 +260.14553 221.0 +263.15123 53.0 +264.14857 30.0 +265.13549 127.0 +268.17724 275.0 +270.14239 26.0 +271.13515 31.0 +272.16494 451.0 +278.15653 25.0 +282.15173 27.0 +286.18791 421.0 +288.14633 4246.0 +296.14993 26.0 +300.14603 191.0 +306.15786 1901.0 +312.18672 29.0 +314.15101 209.0 +317.18826 40.0 +318.16032 378.0 +320.17146 156.0 +323.18709 30.0 +325.23134 41.0 +326.17898 199.0 +328.13042 52.0 +336.16897 126.0 +337.19503 342.0 +342.14828 1403.0 +343.24767 433.0 +345.19459 40.0 +346.15079 72.0 +348.17049 25.0 +355.21052 538.0 +358.16311 35.0 +359.16855 49.0 +360.1835 35.0 +361.20105 62.0 +362.18977 396.0 +371.18772 279.0 +373.21908 489.0 +376.16833 62.0 +379.20202 28.0 +383.21055 55.0 +384.21024 24.0 +387.2256 25.0 +389.19702 729.0 +391.24694 633.0 +394.17937 182.0 +399.16737 49.0 +401.22595 74.0 +404.23117 31.0 +405.20658 26.0 +407.2017 179.0 +413.2301 32.0 +415.2113 44.0 +419.24228 379.0 +423.17534 26.0 +425.18463 599.0 +431.22447 156.0 +439.24182 156.0 +441.21096 139.0 +443.19355 1567.0 +447.23382 194.0 +452.24629 24.0 +453.22036 31.0 +455.234 42.0 +456.27266 70.0 +457.25935 274.0 +459.21238 337.0 +463.20328 48.0 +465.24605 281.0 +467.24174 23.0 +470.27197 29.0 +473.19647 47.0 +474.28003 194.0 +474.7556 3242.0 +477.25288 68.0 +478.25264 32.0 +480.25478 39.0 +481.2295 55.0 +482.22086 57.0 +483.24144 39.0 +484.26996 377.0 +487.20794 55.0 +489.24387 24.0 +490.27148 26.0 +491.19502 358.0 +492.2968 200.0 +493.24967 360.0 +497.23498 269.0 +501.1983 49.0 +502.28258 737.0 +503.75467 26.0 +505.21842 52.0 +506.31397 625.0 +508.23399 119.0 +509.21765 298.0 +512.25689 43.0 +513.26074 25.0 +514.26272 52.0 +515.26829 27.0 +516.26908 480.0 +518.26635 51.0 +519.20082 50.0 +520.29253 835.0 +524.25638 1212.0 +525.27461 1342.0 +530.27478 331.0 +530.77169 36.0 +531.7805 27.0 +534.25794 223.0 +537.21296 73.0 +538.26744 50.0 +539.29168 27.0 +540.25898 40.0 +541.26618 24.0 +542.25824 252.0 +544.24269 854.0 +549.28935 307.0 +552.31807 45.0 +553.31907 28.0 +554.25084 52.0 +555.27071 37.0 +556.28927 71.0 +557.28923 24.0 +558.27826 205.0 +560.25394 717.0 +562.24921 481.0 +565.78745 30.0 +567.29131 31.0 +570.24908 269.0 +572.8184 402.0 +575.31947 27.0 +576.28559 114.0 +578.26863 2233.0 +585.29596 31.0 +586.26088 54.0 +587.28774 25.0 +588.25219 3241.0 +594.30664 44.0 +595.30514 38.0 +596.31995 28.0 +598.2977 57.0 +599.31395 134.0 +601.3083 186.0 +604.27485 133.0 +606.26737 5538.0 +608.83122 207.0 +611.3166 57.0 +613.31842 37.0 +615.31043 27.0 +616.30613 26.0 +618.27888 65.0 +619.28174 24.0 +621.32042 48.0 +622.31685 37.0 +623.30181 125.0 +625.30102 67.0 +626.31395 37.0 +627.31749 59.0 +629.32649 40.0 +630.3257 43.0 +631.32438 25.0 +632.32465 27.0 +632.81084 27.0 +633.30704 152.0 +636.29016 62.0 +637.32222 43.0 +639.31709 70.0 +640.31172 42.0 +641.32174 43.0 +642.29904 52.0 +643.30062 154.0 +645.28947 165.0 +649.36158 27.0 +651.85278 267.0 +655.34236 33.0 +656.33671 31.0 +657.33396 125.0 +659.32213 313.0 +661.30683 612.0 +666.33385 39.0 +668.35465 24.0 +669.32164 70.0 +670.30941 36.0 +671.29953 495.0 +676.32555 24.0 +677.3347 2279.0 +683.34536 28.0 +684.33566 27.0 +687.32546 1090.0 +689.30968 1425.0 +696.34008 64.0 +697.34031 31.0 +699.29684 47.0 +700.35128 28.0 +701.32996 25.0 +702.34261 28.0 +703.3281 62.0 +704.3222 53.0 +705.32898 6516.0 +710.35581 175.0 +714.37767 64.0 +715.36488 39.0 +716.34872 41.0 +717.34281 45.0 +718.39043 54.0 +719.35616 62.0 +720.34899 36.0 +721.34613 428.0 +725.39403 213.0 +728.35811 58.0 +729.35556 26.0 +732.35967 24.0 +734.36884 68.0 +735.36109 29.0 +736.41169 934.0 +742.36415 25.0 +743.35796 42.0 +744.35738 207.0 +758.3749 52.0 +759.364 24.0 +760.37211 72.0 +761.37066 80.0 +762.36733 252.0 +770.36889 160.0 +774.39629 120.0 +776.38541 58.0 +777.37799 49.0 +778.39118 734.0 +784.38238 42.0 +785.37587 36.0 +788.37745 1036.0 +797.39921 34.0 +800.40306 34.0 +802.3901 435.0 +806.38782 1786.0 +815.41305 42.0 +816.39016 32.0 +818.43327 67.0 +819.42524 25.0 +820.40546 205.0 +825.41323 30.0 +833.4402 30.0 +843.41512 44.0 +845.42626 24.0 +848.4145 30.0 +851.44269 575.0 +856.42953 30.0 +857.4401 30.0 +861.43002 42.0 +863.4382 33.0 +868.42357 341.0 +873.43578 248.0 +877.43787 40.0 +883.44449 28.0 +891.45237 151.0 +901.4621 332.0 +913.46779 25.0 +915.47507 24.0 +919.46699 258.0 +926.45425 42.0 +927.4583 24.0 +930.49048 156.0 +942.44523 39.0 +944.48593 53.0 +945.47721 53.0 +946.48125 121.0 +948.50393 5384.0 +960.4627 30.0 +961.46506 23.0 +962.49334 24.0 +972.50895 136.0 +978.48662 31.0 +981.50746 53.0 +982.5134 50.0 +990.50797 65.0 +991.5162 33.0 +1005.52616 172.0 +1031.53088 89.0 +1048.55223 24.0 +1049.54195 1699.0 +1059.53517 47.0 +1077.55884 27.0 +1082.55012 51.0 +1083.5537 34.0 +1089.53355 31.0 +1107.5443 31.0 +1108.54224 27.0 +1162.64333 294.0 +1233.68205 167.0 +1320.71241 33.0 +END IONS +BEGIN IONS +TITLE=Cmpd 49, +MSn(667.3798), 53.7 min +PEPMASS=667.37980000000005 +CHARGE=2+ +209.10562 50.0 +226.12757 49.0 +251.16271 182.0 +260.20656 72.0 +279.1573 729.0 +302.13278 110.0 +307.15673 84.0 +323.14743 71.0 +337.17216 56.0 +340.16906 125.0 +341.22357 81.0 +350.23495 48.0 +368.69077 86.0 +378.23914 49.0 +384.20819 50.0 +445.51259 47.0 +451.20037 79.0 +453.26563 265.0 +457.25239 50.0 +467.23866 56.0 +469.28288 50.0 +471.28671 108.0 +475.25113 98.0 +477.91318 57.0 +481.24772 71.0 +487.33819 217.0 +493.25872 263.0 +495.26305 58.0 +521.31983 74.0 +538.35694 62.0 +549.28782 105.0 +562.26092 58.0 +565.32683 244.0 +570.26898 50.0 +582.3147 88.0 +584.2613 160.0 +594.30589 164.0 +604.30395 238.0 +622.30551 545.0 +651.35419 59.0 +658.3732 88.0 +658.88204 62.0 +660.31484 48.0 +677.42189 48.0 +680.31833 60.0 +695.4307 136.0 +697.33878 235.0 +712.4633 573.0 +721.33975 68.0 +796.41545 46.0 +824.50924 44.0 +841.51047 96.0 +847.42567 113.0 +909.50213 52.0 +916.45341 35.0 +926.45042 36.0 +943.4609 49.0 +956.54294 161.0 +1055.61661 84.0 +1056.57336 69.0 +1090.7763 49.0 +1168.70604 24.0 +1273.11235 16.0 +1539.6022 21.0 +1605.91889 17.0 +1976.87091 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 50, +MSn(756.4487), 53.9 min +PEPMASS=756.44865000000004 +CHARGE=2+ +197.13477 443.0 +200.1494 154.0 +207.12754 64.0 +210.12723 34.0 +211.11573 31.0 +213.16945 26.0 +214.16611 27.0 +215.15252 61.0 +216.1424 27.0 +217.10986 145.0 +224.11943 41.0 +225.13921 24.0 +226.13237 1873.0 +235.1192 52.0 +242.16177 42.0 +244.17332 356.0 +249.13405 22.0 +262.15908 134.0 +270.15762 39.0 +280.17296 47.0 +282.15988 30.0 +286.18449 39.0 +288.14894 275.0 +295.17136 21.0 +297.18437 200.0 +305.14659 22.0 +306.15796 104.0 +307.18098 360.0 +310.18828 88.0 +312.19628 40.0 +315.17783 33.0 +318.15817 22.0 +323.18065 89.0 +325.19883 1866.0 +336.1747 24.0 +337.18867 21.0 +338.18928 25.0 +342.15095 73.0 +343.23617 44.0 +344.18382 33.0 +353.19574 34.0 +355.20051 40.0 +359.20909 25.0 +361.22235 260.0 +367.21235 28.0 +371.18494 32.0 +378.18739 27.0 +379.19587 37.0 +380.20889 32.0 +381.19778 81.0 +389.2012 37.0 +391.24875 35.0 +394.22424 234.0 +396.27214 329.0 +398.22534 61.0 +399.20792 31.0 +407.23314 33.0 +410.22379 25.0 +411.26636 35.0 +412.22937 331.0 +417.23805 23.0 +422.23967 23.0 +424.26828 645.0 +439.23535 21.0 +441.22471 32.0 +441.77722 29.0 +443.20555 168.0 +450.26546 328.0 +450.7779 587.0 +455.24268 23.0 +456.25882 39.0 +457.25823 21.0 +459.21057 22.0 +460.23682 60.0 +461.24704 29.0 +462.26022 26.0 +464.26068 26.0 +465.26191 43.0 +466.28433 34.0 +467.26994 51.0 +468.26851 41.0 +469.25168 38.0 +470.25927 32.0 +472.27388 48.0 +473.2561 36.0 +474.26112 43.0 +474.75486 172.0 +476.26317 56.0 +477.25654 585.0 +482.27441 48.0 +483.29459 123.0 +485.27705 140.0 +490.28035 1016.0 +492.80175 48.0 +493.28694 384.0 +495.2709 757.0 +496.75459 24.0 +500.27568 38.0 +501.30023 53.0 +501.82457 26.0 +502.28466 50.0 +504.28612 27.0 +506.31028 29.0 +508.28099 27.0 +509.28413 31.0 +510.28519 23.0 +511.30546 433.0 +513.28439 503.0 +517.8083 27.0 +520.29685 42.0 +521.30428 23.0 +522.3081 34.0 +523.3058 26.0 +525.28757 27.0 +526.27194 36.0 +526.80836 96.0 +530.29416 22.0 +531.29659 21.0 +532.27644 21.0 +534.29857 39.0 +535.30088 25.0 +535.81417 30.0 +536.30043 32.0 +538.30333 43.0 +540.31308 182.0 +544.2564 41.0 +545.30956 23.0 +546.31011 23.0 +549.29953 50.0 +550.30823 61.0 +551.30272 45.0 +552.30516 26.0 +553.32539 29.0 +554.31141 24.0 +559.31006 41.0 +560.26982 28.0 +561.28819 40.0 +563.31948 108.0 +566.34313 56.0 +567.32784 179.0 +572.33236 31.0 +574.32226 26.0 +576.31606 469.0 +581.33724 118.0 +584.35342 110.0 +587.31162 32.0 +588.25427 99.0 +589.35053 732.0 +592.32768 54.0 +593.31431 28.0 +594.34012 794.0 +599.35823 62.0 +600.35135 22.0 +605.26712 26.0 +606.27149 237.0 +610.34199 51.0 +611.34602 22.0 +612.35624 291.0 +622.26748 34.0 +627.34714 32.0 +631.36539 35.0 +631.87194 45.0 +632.35881 34.0 +639.37803 221.0 +640.87502 41.0 +645.29056 32.0 +646.31368 22.0 +648.36909 45.0 +648.86453 26.0 +649.38402 789.0 +658.38783 166.0 +661.32834 23.0 +663.35878 23.0 +664.35865 22.0 +665.35591 30.0 +667.39301 33.0 +671.36883 32.0 +675.36818 23.0 +677.33539 47.0 +678.34776 26.0 +680.39225 42.0 +680.88411 21.0 +682.40701 23.0 +684.91443 24.0 +685.41164 27.0 +687.32792 42.0 +688.38018 26.0 +688.91174 157.0 +689.39661 425.0 +692.3804 55.0 +693.39189 23.0 +694.38514 36.0 +696.38218 24.0 +697.39151 51.0 +697.90835 134.0 +698.40612 1008.0 +702.43781 455.0 +704.94027 22.0 +705.34981 220.0 +705.9112 124.0 +706.91822 3508.0 +710.40311 50.0 +710.88344 21.0 +711.3864 34.0 +711.88973 21.0 +712.27519 25.0 +712.41182 22.0 +721.33932 120.0 +724.27539 34.0 +726.40441 24.0 +728.40727 47.0 +729.41822 29.0 +738.43568 122.0 +738.93505 61.0 +742.27999 34.0 +744.36303 24.0 +747.43902 162.0 +749.37332 21.0 +755.43668 25.0 +755.94401 44.0 +756.45792 1303.0 +759.45511 24.0 +760.44374 29.0 +779.39336 21.0 +785.4697 21.0 +791.46144 28.0 +793.44594 22.0 +803.49126 316.0 +806.40559 38.0 +809.46537 23.0 +810.47189 35.0 +837.45532 27.0 +856.52111 38.0 +868.42232 31.0 +882.5272 234.0 +896.51537 31.0 +898.53109 332.0 +900.54852 5154.0 +923.54858 36.0 +924.54048 33.0 +948.50244 191.0 +951.51056 142.0 +957.57041 131.0 +983.58008 38.0 +987.52211 25.0 +999.58428 57.0 +1000.57279 38.0 +1001.59954 1061.0 +1002.81631 26.0 +1044.59981 44.0 +1045.61507 22.0 +1051.58283 32.0 +1052.60945 241.0 +1070.62062 135.0 +1086.6178 123.0 +1087.61889 64.0 +1088.63431 2884.0 +1090.43579 22.0 +1151.66623 31.0 +1169.68352 26.0 +1185.68095 68.0 +1186.69717 41.0 +1187.70629 1184.0 +1297.76077 79.0 +1313.74649 25.0 +1315.76837 315.0 +END IONS +BEGIN IONS +TITLE=Cmpd 51, +MSn(590.3391), 54.1 min +PEPMASS=590.33909000000006 +CHARGE=2+ +195.09345 15.0 +196.14145 18.0 +197.13452 95.0 +199.08862 32.0 +200.15114 47.0 +201.14458 73.0 +203.11504 66.0 +207.1411 16.0 +209.08029 16.0 +209.17303 25.0 +210.17219 10.0 +211.15975 16.0 +213.17329 252.0 +214.14545 183.0 +216.11391 216.0 +218.16334 329.0 +224.10941 11.0 +225.14262 24.0 +226.09464 225.0 +228.18483 9.0 +229.13798 37.0 +231.11417 276.0 +235.11759 33.0 +236.15084 12.0 +237.15201 19.0 +239.1328 14.0 +240.12776 14.0 +242.11452 11.0 +243.14324 55.0 +244.10789 524.0 +247.12988 61.0 +251.17342 12.0 +252.12922 12.0 +252.62414 9.0 +254.11388 68.0 +254.20342 11.0 +259.12073 28.0 +262.15313 17.0 +263.12636 15.0 +265.13106 45.0 +267.11862 13.0 +268.176 9.0 +269.14565 14.0 +270.12306 13.0 +272.1452 14.0 +273.19915 12.0 +275.12215 66.0 +277.13446 82.0 +280.17247 13.0 +284.16703 10.0 +286.16457 13.0 +290.15665 47.0 +293.14118 125.0 +297.17301 10.0 +298.15499 26.0 +300.14663 17.0 +302.13684 15.0 +305.61909 9.0 +306.15305 13.0 +307.14863 21.0 +308.15866 43.0 +310.18163 53.0 +312.16799 61.0 +315.1599 16.0 +316.16125 15.0 +318.17073 10.0 +321.16954 15.0 +322.15232 22.0 +323.14869 82.0 +324.65541 11.0 +326.18827 385.0 +332.1563 17.0 +333.16506 19.0 +334.17451 9.0 +336.16485 55.0 +339.17517 53.0 +340.16676 110.0 +343.18137 301.0 +347.17988 9.0 +348.1771 9.0 +349.16328 9.0 +350.16876 11.0 +351.21392 16.0 +352.20707 23.0 +354.1634 56.0 +357.18823 336.0 +360.1722 26.0 +361.22713 23.0 +362.16792 13.0 +363.1961 91.0 +365.23001 217.0 +369.17525 15.0 +371.18295 21.0 +373.16347 15.0 +374.15625 10.0 +375.19502 11.0 +376.16676 47.0 +378.19068 129.0 +381.22757 324.0 +388.18123 10.0 +391.2115 12.0 +392.19325 12.0 +393.21151 26.0 +394.18483 174.0 +400.33249 10.0 +403.17541 15.0 +405.21008 12.0 +406.1917 14.0 +407.19613 13.0 +409.22299 13.0 +410.21388 19.0 +411.22792 97.0 +415.24104 20.0 +420.22037 13.0 +421.22324 58.0 +423.20889 132.0 +428.25217 34.0 +430.24093 18.0 +431.21749 15.0 +432.21859 47.0 +434.22893 17.0 +436.20737 16.0 +437.22175 99.0 +437.71585 41.0 +438.61467 12.0 +439.2282 53.0 +440.22793 357.0 +444.22464 52.0 +447.21542 25.0 +448.22279 10.0 +449.21091 118.0 +450.76247 18.0 +453.21574 55.0 +455.08686 11.0 +455.23666 45.0 +456.23036 96.0 +457.73735 19.0 +458.23996 352.0 +463.23229 50.0 +465.22147 290.0 +466.75669 11.0 +467.73865 35.0 +470.25264 38.0 +472.25553 38.0 +473.23484 167.0 +474.72568 10.0 +476.25426 232.0 +481.23799 45.0 +483.23464 123.0 +488.24306 21.0 +489.23916 32.0 +490.25758 99.0 +492.25896 250.0 +494.274 330.0 +499.26976 24.0 +501.23938 118.0 +505.25057 63.0 +507.26363 147.0 +510.27187 398.0 +514.26651 115.0 +519.28338 16.0 +520.26249 43.0 +522.26644 60.0 +524.25816 172.0 +529.2686 122.0 +533.25735 140.0 +538.25036 20.0 +538.78368 13.0 +539.30525 48.0 +540.28194 44.0 +541.27731 148.0 +544.45629 10.0 +546.2972 19.0 +547.30549 13.0 +548.28442 20.0 +549.27465 51.0 +551.27213 59.0 +552.25615 190.0 +555.27165 52.0 +557.30257 41.0 +558.28184 35.0 +559.2934 46.0 +560.28806 108.0 +562.64531 10.0 +565.29454 50.0 +568.26724 49.0 +569.27375 507.0 +574.28545 14.0 +575.30341 35.0 +576.27726 23.0 +577.3035 36.0 +578.28543 127.0 +583.33327 18.0 +584.29848 18.0 +585.27927 53.0 +587.29963 332.0 +592.78588 13.0 +593.31146 178.0 +595.32608 383.0 +597.29261 10.0 +598.29474 22.0 +599.28926 16.0 +600.30021 35.0 +602.29357 33.0 +603.30496 85.0 +606.30091 10.0 +607.33909 24.0 +609.31552 83.0 +611.32432 703.0 +617.29999 16.0 +618.29511 55.0 +621.30015 29.0 +623.30405 33.0 +626.2985 19.0 +627.30882 55.0 +631.3116 10.0 +633.34031 39.0 +636.31414 23.0 +638.33476 11.0 +639.32296 9.0 +640.3341 52.0 +644.35419 15.0 +646.32049 12.0 +647.32425 31.0 +650.33782 15.0 +651.34197 63.0 +656.35182 14.0 +658.34251 19.0 +659.33592 33.0 +663.3485 12.0 +664.32097 13.0 +665.31502 13.0 +666.33051 105.0 +670.34265 47.0 +673.35113 14.0 +674.32665 31.0 +678.3268 27.0 +680.31967 9.0 +684.34928 11.0 +686.34856 18.0 +687.33952 130.0 +692.35244 21.0 +694.30835 9.0 +696.33127 11.0 +698.32527 23.0 +700.46511 15.0 +702.34467 22.0 +704.3808 27.0 +705.35151 27.0 +706.38037 85.0 +708.4174 163.0 +711.42325 9.0 +714.34104 17.0 +715.33131 19.0 +716.33686 42.0 +720.18551 12.0 +721.36111 12.0 +722.3909 62.0 +724.41418 299.0 +730.38571 11.0 +731.35077 10.0 +732.35865 20.0 +733.35164 71.0 +735.40174 9.0 +736.40786 9.0 +741.39079 12.0 +741.52135 12.0 +747.43299 12.0 +748.36938 11.0 +750.36204 59.0 +760.38866 11.0 +768.36249 9.0 +769.36731 14.0 +776.38955 15.0 +779.3979 15.0 +782.39562 10.0 +785.39835 30.0 +788.37816 12.0 +791.41014 10.0 +793.43727 24.0 +799.43485 23.0 +802.39307 11.0 +803.42944 48.0 +804.37867 18.0 +817.43937 13.0 +819.44121 21.0 +821.4345 16.0 +821.65723 10.0 +827.5234 10.0 +835.44726 66.0 +837.45945 53.0 +845.42121 26.0 +851.4728 27.0 +853.46131 118.0 +863.44089 24.0 +871.48131 10.0 +900.54343 20.0 +915.46528 9.0 +931.48877 14.0 +932.4781 21.0 +933.47091 38.0 +935.53589 9.0 +949.4953 31.0 +950.48651 43.0 +951.50236 94.0 +965.50965 41.0 +967.51209 254.0 +973.50366 12.0 +977.49073 10.0 +978.49733 14.0 +1048.57409 10.0 +1049.54506 10.0 +1050.57824 18.0 +1066.57896 22.0 +1067.60673 13.0 +1233.43663 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 52, +MSn(476.2607), 54.2 min +PEPMASS=476.26071000000002 +CHARGE=2+ +195.09724 151.0 +197.13807 76.0 +206.63163 161.0 +215.14587 101.0 +217.09386 106.0 +221.11644 427.0 +231.12358 68.0 +238.15034 76.0 +239.12348 396.0 +245.09234 169.0 +251.16371 183.0 +256.10132 137.0 +262.67729 71.0 +271.13363 153.0 +275.13239 67.0 +289.14977 437.0 +302.11507 281.0 +306.20035 90.0 +307.15664 892.0 +316.18264 72.0 +320.18066 379.0 +334.20806 64.0 +338.19103 631.0 +351.19764 150.0 +358.18629 53.0 +369.19189 71.0 +387.21226 61.0 +394.23375 73.0 +395.21785 160.0 +403.22977 53.0 +415.20509 73.0 +420.23595 80.0 +421.23745 484.0 +439.24579 385.0 +480.29111 119.0 +506.33956 52.0 +508.81454 41.0 +531.27926 154.0 +534.32011 115.0 +549.28479 164.0 +552.33444 60.0 +563.34047 48.0 +659.29877 50.0 +664.32329 37.0 +671.3352 38.0 +721.35272 72.0 +742.37092 27.0 +760.81316 23.0 +863.97523 16.0 +1949.52157 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 53, +MSn(601.8431), 54.2 min +PEPMASS=601.84307999999999 +CHARGE=2+ +197.09808 84.0 +197.98464 12.0 +200.16273 33.0 +201.13053 48.0 +202.91087 12.0 +203.10969 41.0 +209.08186 11.0 +209.17363 15.0 +210.16957 13.0 +211.15301 80.0 +211.53891 11.0 +213.16325 320.0 +216.11088 163.0 +218.15942 213.0 +223.15563 21.0 +224.18189 139.0 +225.73706 14.0 +226.10057 180.0 +229.16144 77.0 +231.11188 145.0 +236.15883 23.0 +237.13415 22.0 +238.07915 16.0 +239.15468 28.0 +240.1167 84.0 +244.10996 332.0 +246.43468 12.0 +249.11584 34.0 +252.16026 45.0 +256.13541 12.0 +257.10191 13.0 +257.16573 17.0 +258.14667 17.0 +259.15908 15.0 +260.17472 11.0 +261.16663 11.0 +262.15363 66.0 +267.11852 26.0 +269.19218 15.0 +270.15011 19.0 +273.07881 12.0 +276.13979 62.0 +280.14031 34.0 +283.11784 13.0 +285.14029 35.0 +287.15547 12.0 +288.14904 27.0 +288.2309 12.0 +291.19331 10.0 +293.15489 120.0 +298.1672 68.0 +303.16151 11.0 +304.17997 17.0 +307.0513 15.0 +307.16092 10.0 +308.17418 57.0 +311.12545 12.0 +312.17217 52.0 +314.16269 54.0 +319.19801 11.0 +320.17223 15.0 +321.16909 11.0 +322.68934 11.0 +323.14761 15.0 +324.16894 14.0 +324.62118 15.0 +325.20817 18.0 +326.17821 189.0 +327.20311 84.0 +332.17955 14.0 +333.17781 19.0 +334.15733 29.0 +336.17392 33.0 +338.15469 18.0 +339.17561 52.0 +340.16749 176.0 +344.18026 90.0 +352.17495 14.0 +353.18313 72.0 +357.19035 195.0 +360.16243 18.0 +361.21223 97.0 +365.22996 279.0 +367.09871 28.0 +368.19094 24.0 +369.1772 33.0 +370.22134 13.0 +370.27468 15.0 +371.17018 85.0 +375.76654 11.0 +377.75938 13.0 +378.18409 146.0 +381.19965 47.0 +383.20151 27.0 +383.3827 12.0 +383.84156 10.0 +386.23124 11.0 +388.21088 11.0 +389.23032 16.0 +390.21232 16.0 +391.20331 16.0 +392.19064 11.0 +393.21152 13.0 +393.31641 15.0 +394.19113 128.0 +398.70729 12.0 +404.23084 88.0 +406.12991 20.0 +408.18459 18.0 +409.22871 51.0 +411.24539 39.0 +413.21715 36.0 +415.20061 77.0 +419.2216 75.0 +421.19784 16.0 +422.21439 11.0 +423.21545 70.0 +424.75234 29.0 +425.15409 11.0 +426.32134 12.0 +427.94672 37.0 +429.22566 14.0 +431.23227 36.0 +433.19177 38.0 +435.22916 40.0 +437.22684 48.0 +438.3988 11.0 +439.23354 47.0 +440.23279 96.0 +440.86976 12.0 +441.21659 136.0 +443.73601 13.0 +445.22144 46.0 +447.26006 37.0 +449.2274 19.0 +450.21926 55.0 +451.71894 28.0 +452.48724 12.0 +452.90027 19.0 +455.23067 57.0 +456.23276 98.0 +458.23842 203.0 +458.78083 10.0 +460.90034 12.0 +463.23948 10.0 +464.59804 15.0 +465.221 27.0 +466.23573 92.0 +467.77819 27.0 +468.15007 15.0 +468.96273 11.0 +469.72605 14.0 +471.23324 21.0 +472.24036 87.0 +475.04741 13.0 +475.26133 39.0 +476.2612 147.0 +476.75759 66.0 +477.2504 66.0 +479.23109 116.0 +481.39012 43.0 +483.20641 39.0 +484.25026 57.0 +486.13743 11.0 +486.24535 74.0 +489.72524 11.0 +490.26818 175.0 +494.26786 382.0 +498.77542 32.0 +500.24625 62.0 +501.74624 20.0 +502.37195 17.0 +503.47599 10.0 +504.17635 15.0 +504.22825 45.0 +506.25295 33.0 +507.23537 35.0 +508.25993 55.0 +510.26686 51.0 +512.25308 33.0 +513.28086 121.0 +513.75796 12.0 +514.94576 11.0 +516.95364 11.0 +517.27075 113.0 +520.27335 90.0 +523.24787 41.0 +524.2591 139.0 +524.47716 10.0 +527.85328 17.0 +529.26757 15.0 +530.27448 60.0 +531.46219 13.0 +533.27443 175.0 +533.65843 16.0 +534.00651 12.0 +537.27273 31.0 +537.96497 12.0 +538.27524 209.0 +544.27882 50.0 +548.30209 38.0 +550.27887 63.0 +552.25615 172.0 +557.2643 35.0 +557.42304 11.0 +559.28304 121.0 +564.29048 92.0 +567.28829 55.0 +568.17976 11.0 +569.27331 254.0 +570.77521 13.0 +573.25032 12.0 +574.2944 35.0 +577.28932 212.0 +583.28702 19.0 +584.32173 16.0 +585.30346 42.0 +587.28913 141.0 +588.81699 14.0 +589.32955 97.0 +593.31705 73.0 +595.32616 566.0 +599.76398 11.0 +600.3419 10.0 +601.33378 21.0 +602.30415 156.0 +606.81449 12.0 +607.33583 14.0 +608.29803 119.0 +608.71931 11.0 +608.90827 12.0 +612.30982 110.0 +616.28688 14.0 +617.27259 20.0 +618.31295 97.0 +620.05988 35.0 +621.917 14.0 +623.32545 104.0 +625.80464 12.0 +628.32017 61.0 +634.33505 236.0 +634.5225 12.0 +639.18497 11.0 +639.32938 114.0 +646.52561 12.0 +647.33532 53.0 +651.32069 33.0 +655.34023 14.0 +659.3245 43.0 +663.31205 24.0 +668.35679 23.0 +670.34001 67.0 +673.32006 32.0 +678.40203 15.0 +678.55039 12.0 +679.35365 38.0 +684.36406 17.0 +686.35787 46.0 +689.349 31.0 +690.41269 26.0 +691.39159 49.0 +696.38955 31.0 +698.2879 17.0 +699.32053 43.0 +701.12512 12.0 +702.415 24.0 +703.30241 11.0 +705.48056 10.0 +706.39094 31.0 +708.41736 200.0 +713.3918 11.0 +714.34169 13.0 +715.38348 54.0 +722.35788 24.0 +724.40297 66.0 +725.14164 35.0 +727.30299 17.0 +728.37378 40.0 +730.40657 66.0 +732.35291 14.0 +734.39028 94.0 +742.37863 31.0 +743.60243 11.0 +746.71608 15.0 +747.43173 83.0 +752.41312 21.0 +753.41818 40.0 +758.407 14.0 +762.41787 12.0 +765.37234 10.0 +770.37044 25.0 +775.4052 24.0 +788.38057 22.0 +790.38209 12.0 +796.33595 11.0 +799.42579 11.0 +801.39654 15.0 +802.78788 12.0 +803.37486 14.0 +805.41904 19.0 +812.38949 10.0 +813.3951 32.0 +819.53456 20.0 +820.45239 19.0 +825.34448 24.0 +827.44767 27.0 +833.43876 14.0 +834.77428 20.0 +835.4544 38.0 +837.43593 125.0 +842.29849 12.0 +842.45144 21.0 +844.92448 15.0 +858.43843 20.0 +869.41735 11.0 +871.45859 14.0 +879.45831 41.0 +885.42757 12.0 +915.51473 16.0 +934.47947 22.0 +950.4772 28.0 +951.51513 113.0 +952.77911 13.0 +968.52814 14.0 +973.49443 12.0 +974.58215 14.0 +978.50049 15.0 +990.52104 115.0 +994.5144 43.0 +1033.5585 10.0 +1072.52243 14.0 +1089.59861 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 54, +MSn(582.3408), 54.6 min +PEPMASS=582.34078 +CHARGE=2+ +195.09522 17.0 +196.12149 20.0 +197.12857 198.0 +199.08309 130.0 +200.14623 185.0 +203.11606 154.0 +209.06759 26.0 +211.1232 14.0 +213.1706 587.0 +214.14212 493.0 +216.11194 448.0 +218.15849 796.0 +223.12685 16.0 +225.13377 75.0 +226.09331 426.0 +228.14035 13.0 +229.1317 15.0 +231.11145 704.0 +237.13469 30.0 +241.10824 16.0 +242.12965 24.0 +243.14506 111.0 +244.10407 1467.0 +248.13966 22.0 +249.13438 142.0 +252.13136 32.0 +253.13185 32.0 +253.24116 33.0 +254.09219 17.0 +257.12553 23.0 +259.12054 68.0 +262.1489 22.0 +270.12589 28.0 +277.1371 280.0 +282.19494 28.0 +284.16031 16.0 +286.18165 23.0 +288.14974 21.0 +289.15937 50.0 +293.17263 66.0 +294.1615 59.0 +295.14701 97.0 +298.16108 137.0 +302.1443 26.0 +303.16706 19.0 +307.15758 53.0 +308.1685 277.0 +312.16687 141.0 +315.16549 29.0 +316.15161 22.0 +317.13437 24.0 +320.17304 28.0 +321.1731 37.0 +322.15459 43.0 +323.14911 130.0 +326.18646 851.0 +329.17821 212.0 +334.15638 31.0 +336.16743 49.0 +338.18237 15.0 +339.17876 87.0 +340.16623 273.0 +343.17727 203.0 +344.18282 482.0 +349.17897 16.0 +350.18711 27.0 +352.20363 18.0 +353.1632 25.0 +354.1766 136.0 +357.19054 940.0 +359.71245 16.0 +360.17937 127.0 +364.17196 31.0 +365.23092 1686.0 +368.15753 22.0 +371.18465 24.0 +372.18412 40.0 +373.15794 37.0 +374.15175 13.0 +375.20747 21.0 +376.17001 40.0 +377.20394 23.0 +378.18086 646.0 +383.21476 23.0 +384.21456 21.0 +385.17634 19.0 +388.16523 33.0 +389.2095 20.0 +390.21414 20.0 +391.1763 32.0 +392.19462 23.0 +393.22471 48.0 +394.2139 40.0 +395.21374 37.0 +396.19477 35.0 +397.2175 34.0 +398.23075 22.0 +399.20469 14.0 +401.20922 17.0 +403.21518 15.0 +404.20003 39.0 +405.19723 44.0 +406.17688 47.0 +407.17381 17.0 +409.21739 17.0 +410.21867 28.0 +411.22812 346.0 +416.22623 16.0 +417.20186 15.0 +420.22925 16.0 +421.2152 126.0 +423.20679 348.0 +424.72703 19.0 +427.22395 43.0 +428.25104 42.0 +429.22476 99.0 +431.20428 152.0 +437.22137 222.0 +439.22645 109.0 +440.22347 1024.0 +445.23288 147.0 +449.21404 440.0 +449.73171 19.0 +450.72728 17.0 +454.23587 23.0 +455.23017 496.0 +458.24266 712.0 +459.237 625.0 +459.73333 44.0 +463.26761 170.0 +465.22574 133.0 +467.23098 136.0 +467.74716 13.0 +469.21805 131.0 +472.22817 47.0 +473.23625 327.0 +476.26483 949.0 +481.24727 35.0 +482.24747 40.0 +483.22666 228.0 +486.24607 43.0 +487.23269 27.0 +488.24202 14.0 +489.24321 76.0 +491.25788 338.0 +494.27659 1994.0 +494.78205 19.0 +499.26525 47.0 +500.25894 30.0 +501.25092 42.0 +502.23138 30.0 +503.2714 23.0 +504.26392 104.0 +506.25307 68.0 +507.23433 182.0 +510.2465 40.0 +511.2666 18.0 +512.2711 140.0 +516.28592 57.0 +517.26107 235.0 +522.27281 165.0 +524.25705 453.0 +530.27965 30.0 +531.27361 23.0 +532.26803 27.0 +533.24722 282.0 +538.26628 22.0 +539.2982 87.0 +540.28649 276.0 +542.27147 357.0 +544.27697 297.0 +549.29144 31.0 +550.27061 70.0 +551.27488 214.0 +552.25281 765.0 +557.29301 129.0 +559.29954 118.0 +560.28575 222.0 +562.3032 178.0 +566.28387 23.0 +567.2962 37.0 +568.27723 38.0 +569.27257 1576.0 +574.28884 143.0 +577.31145 301.0 +580.25599 116.0 +583.3219 13.0 +584.28421 172.0 +587.28992 713.0 +592.31033 176.0 +595.32875 3494.0 +599.26857 25.0 +601.3023 17.0 +602.28978 193.0 +605.31147 153.0 +611.3295 14.0 +612.29755 20.0 +613.30688 47.0 +614.3157 22.0 +615.31256 30.0 +616.2889 18.0 +619.33229 21.0 +620.3127 77.0 +621.29021 242.0 +626.32751 23.0 +627.31669 14.0 +628.3095 21.0 +629.33136 23.0 +630.30549 44.0 +631.31964 19.0 +632.32998 13.0 +633.30819 31.0 +635.33205 16.0 +636.31138 17.0 +639.2991 17.0 +640.32837 27.0 +641.32395 170.0 +646.32461 34.0 +647.33446 15.0 +649.32862 21.0 +650.34314 19.0 +651.32494 151.0 +655.32639 38.0 +656.34194 19.0 +657.30577 28.0 +658.3309 39.0 +659.33117 37.0 +663.3487 22.0 +664.35179 21.0 +666.35297 14.0 +668.3511 54.0 +669.33798 120.0 +671.32718 341.0 +676.34173 23.0 +677.36559 17.0 +679.32582 13.0 +680.33406 14.0 +681.31755 40.0 +682.32219 27.0 +686.35885 97.0 +688.36471 59.0 +689.34795 98.0 +690.37788 227.0 +696.35188 29.0 +697.35064 19.0 +698.33966 44.0 +699.32997 222.0 +706.36985 157.0 +708.41923 1872.0 +716.35487 94.0 +717.34978 234.0 +721.34714 37.0 +722.33454 17.0 +726.36656 13.0 +734.36165 247.0 +740.41426 15.0 +742.38364 19.0 +743.37255 21.0 +744.35756 22.0 +752.35664 21.0 +753.35111 24.0 +758.38979 15.0 +759.40189 17.0 +760.38472 34.0 +761.38825 23.0 +769.38099 20.0 +770.3707 128.0 +782.41161 23.0 +787.39753 51.0 +788.38372 109.0 +798.39917 19.0 +801.45017 28.0 +802.4396 16.0 +803.44983 24.0 +805.41187 80.0 +815.42124 24.0 +816.40404 21.0 +817.43142 13.0 +819.45359 240.0 +829.43854 23.0 +833.44076 15.0 +835.44651 22.0 +837.46732 643.0 +847.45555 183.0 +899.45591 14.0 +915.47805 140.0 +933.50252 49.0 +934.48787 303.0 +949.49532 21.0 +950.48771 18.0 +951.51377 1335.0 +962.48156 110.0 +1033.5566 33.0 +1034.558 20.0 +1050.58511 156.0 +END IONS +BEGIN IONS +TITLE=Cmpd 55, +MSn(710.3762), 55.5 min +PEPMASS=710.37617999999998 +CHARGE=2+ +195.09994 40.0 +197.14265 8.0 +201.1441 9.0 +211.13523 23.0 +213.13352 8.0 +215.15438 20.0 +216.14532 17.0 +217.11093 7.0 +218.15749 11.0 +221.11413 28.0 +225.13398 8.0 +227.09692 8.0 +229.11883 8.0 +233.17306 8.0 +237.11894 9.0 +239.12799 138.0 +243.14512 10.0 +244.16055 16.0 +245.12139 15.0 +246.13915 10.0 +247.16304 7.0 +251.16399 27.0 +257.11686 9.0 +261.17512 12.0 +262.15874 14.0 +270.1538 11.0 +271.13276 14.0 +272.12025 15.0 +273.11257 8.0 +274.14852 10.0 +279.16092 15.0 +289.15249 83.0 +292.174 9.0 +294.2025 21.0 +299.17353 8.0 +302.12118 44.0 +303.16049 9.0 +306.18816 12.0 +307.15477 295.0 +310.21768 9.0 +316.19231 31.0 +320.18 159.0 +323.18359 11.0 +325.18949 11.0 +334.20356 13.0 +336.18338 9.0 +337.16601 7.0 +338.19426 270.0 +352.20703 16.0 +353.20682 8.0 +358.17953 9.0 +359.18524 9.0 +361.23246 8.0 +365.23342 9.0 +373.18395 9.0 +380.20363 12.0 +381.22823 10.0 +387.2049 15.0 +393.21481 8.0 +394.23609 17.0 +395.2164 21.0 +396.2216 9.0 +403.18067 8.0 +404.20808 10.0 +411.24854 14.0 +412.25204 8.0 +415.20459 15.0 +420.24026 53.0 +421.23083 173.0 +427.221 9.0 +433.22902 11.0 +435.22003 9.0 +437.24117 8.0 +438.22314 9.0 +439.24544 155.0 +449.19009 53.0 +453.26221 11.0 +456.24118 11.0 +459.22931 11.0 +463.17629 8.0 +467.27003 10.0 +468.2484 7.0 +470.25566 12.0 +471.27518 14.0 +472.26604 13.0 +473.24878 9.0 +475.24944 8.0 +476.27737 10.0 +480.18518 10.0 +481.26416 16.0 +484.23735 9.0 +487.26895 14.0 +488.26414 16.0 +489.2754 13.0 +490.27652 54.0 +494.30636 8.0 +495.26079 14.0 +498.24134 17.0 +499.27835 80.0 +500.75954 8.0 +502.2985 8.0 +506.31747 34.0 +507.31057 26.0 +508.30401 52.0 +510.29783 7.0 +511.29017 10.0 +515.27468 10.0 +516.26067 104.0 +520.29189 10.0 +521.76793 11.0 +524.3337 52.0 +526.2881 10.0 +528.29444 14.0 +529.27487 9.0 +530.25339 7.0 +531.27029 67.0 +533.25391 10.0 +534.30895 237.0 +537.32279 7.0 +538.21571 13.0 +544.26277 52.0 +547.24032 10.0 +548.25856 9.0 +549.28371 212.0 +552.32879 143.0 +556.30252 31.0 +560.26072 7.0 +561.29206 10.0 +562.27344 106.0 +565.2584 7.0 +569.34792 7.0 +570.77935 8.0 +571.29552 7.0 +572.26215 8.0 +575.24759 18.0 +577.29185 10.0 +578.27054 9.0 +579.31246 30.0 +584.3242 10.0 +586.32036 16.0 +587.31682 13.0 +588.30796 41.0 +589.34269 31.0 +589.80732 9.0 +591.79556 9.0 +593.31414 21.0 +595.32911 9.0 +596.32458 8.0 +600.30375 15.0 +601.3131 138.0 +601.80867 332.0 +603.80697 8.0 +607.32766 8.0 +609.29648 11.0 +610.31469 99.0 +610.8146 241.0 +613.28765 7.0 +615.35735 8.0 +617.3117 29.0 +620.38323 8.0 +622.29253 8.0 +625.3272 9.0 +627.29365 17.0 +628.30333 10.0 +629.34 10.0 +629.84744 7.0 +630.32955 35.0 +633.31599 10.0 +635.33006 41.0 +643.29598 8.0 +645.32949 84.0 +649.34282 9.0 +652.3823 8.0 +653.33059 68.0 +655.33328 9.0 +657.85026 10.0 +658.35789 13.0 +661.3363 8.0 +663.32504 30.0 +664.32162 73.0 +666.33182 8.0 +667.37216 9.0 +669.31534 9.0 +671.34855 73.0 +673.32235 8.0 +675.35265 18.0 +676.35231 10.0 +677.38229 7.0 +680.35314 9.0 +681.39813 42.0 +683.36752 7.0 +684.36689 7.0 +691.37657 9.0 +692.36191 26.0 +694.33407 9.0 +695.3465 9.0 +697.37038 10.0 +698.36701 8.0 +699.39112 128.0 +701.38171 55.0 +702.87114 10.0 +706.90957 8.0 +708.41411 15.0 +710.40345 13.0 +710.87631 59.0 +712.38425 9.0 +713.41976 8.0 +717.3579 9.0 +719.35245 8.0 +720.37419 9.0 +721.33872 285.0 +724.35959 7.0 +725.35897 8.0 +730.4288 7.0 +738.41697 9.0 +739.42243 8.0 +740.40929 9.0 +748.41567 18.0 +754.39655 9.0 +756.38644 12.0 +758.40287 24.0 +759.40074 8.0 +766.40911 9.0 +772.40284 12.0 +776.41166 34.0 +782.37637 45.0 +784.37157 7.0 +800.38711 77.0 +835.43016 10.0 +850.43316 13.0 +853.44058 32.0 +867.47234 9.0 +868.42262 312.0 +873.46417 11.0 +885.48037 14.0 +895.46918 29.0 +900.54625 30.0 +902.55115 7.0 +913.47205 35.0 +951.51072 11.0 +954.49001 9.0 +964.49871 8.0 +981.50325 218.0 +1000.51034 41.0 +1001.51332 31.0 +1082.55699 140.0 +1092.54217 11.0 +1095.57821 8.0 +1113.59537 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 56, +MSn(473.9192), 55.6 min +PEPMASS=473.91921000000002 +CHARGE=3+ +195.09979 108.0 +197.12618 152.0 +201.1283 32.0 +202.11103 8.0 +203.63496 24.0 +205.11733 81.0 +206.6312 58.0 +209.06542 17.0 +210.1048 11.0 +210.63745 11.0 +211.12759 135.0 +212.63038 8.0 +215.15075 117.0 +216.26537 14.0 +217.09728 180.0 +219.63866 30.0 +219.97119 8.0 +220.12782 69.0 +221.11532 469.0 +222.20324 8.0 +223.16474 41.0 +224.09349 9.0 +224.17983 10.0 +225.13289 66.0 +225.44475 9.0 +227.09504 46.0 +229.10071 15.0 +229.82739 10.0 +231.10868 12.0 +232.17295 9.0 +233.158 41.0 +234.13177 109.0 +236.66731 9.0 +238.13986 33.0 +239.12969 328.0 +240.65768 17.0 +241.18422 18.0 +242.16674 10.0 +243.13949 87.0 +244.66479 13.0 +245.0976 197.0 +247.12593 138.0 +251.16003 248.0 +252.69259 8.0 +253.66486 124.0 +255.09154 10.0 +255.16875 9.0 +256.14219 24.0 +257.12165 31.0 +258.14398 9.0 +261.15759 21.0 +262.00008 12.0 +262.16782 138.0 +262.67467 336.0 +266.09215 10.0 +266.56709 9.0 +267.11981 30.0 +268.50034 10.0 +270.14263 77.0 +270.66332 11.0 +271.14762 93.0 +272.11855 148.0 +273.16595 19.0 +274.13855 129.0 +279.16601 66.0 +282.17091 13.0 +282.68082 10.0 +284.10214 30.0 +285.11004 8.0 +287.81945 9.0 +288.19457 17.0 +289.14696 121.0 +290.15593 237.0 +290.65714 10.0 +291.67995 80.0 +292.68766 9.0 +294.16039 67.0 +294.93496 9.0 +298.16386 19.0 +299.17873 9.0 +299.67516 12.0 +300.11482 10.0 +300.56109 9.0 +301.2281 8.0 +302.11279 327.0 +304.18142 9.0 +304.69203 73.0 +305.68749 9.0 +306.20196 62.0 +306.42683 9.0 +307.1536 966.0 +311.14027 9.0 +312.17002 49.0 +313.6971 68.0 +313.92519 8.0 +315.15437 53.0 +316.18074 99.0 +319.19335 42.0 +319.85768 12.0 +320.17792 503.0 +322.44186 9.0 +324.22848 18.0 +327.1936 11.0 +327.69581 27.0 +329.22437 13.0 +330.21011 10.0 +332.69855 24.0 +333.11582 10.0 +334.09242 19.0 +334.20295 105.0 +336.20061 106.0 +337.62899 13.0 +338.19469 775.0 +342.20902 14.0 +342.70436 9.0 +343.33002 11.0 +344.18792 18.0 +345.20123 9.0 +347.21742 10.0 +347.47147 10.0 +348.20954 13.0 +350.18872 10.0 +351.2053 28.0 +352.20708 124.0 +354.22181 8.0 +356.19932 14.0 +356.71415 9.0 +357.19231 17.0 +358.18538 74.0 +362.20206 44.0 +364.71523 14.0 +365.21048 8.0 +366.17351 8.0 +367.19493 42.0 +369.19252 87.0 +374.20339 15.0 +377.20046 8.0 +378.26958 8.0 +379.19261 16.0 +380.20759 29.0 +384.25643 9.0 +385.17621 31.0 +386.16326 9.0 +387.199 50.0 +391.23926 14.0 +392.22197 15.0 +393.23816 122.0 +395.2135 158.0 +398.21491 9.0 +402.25885 8.0 +403.19295 49.0 +406.25944 36.0 +410.21217 14.0 +411.24764 96.0 +415.19916 64.0 +417.1807 9.0 +419.28219 13.0 +420.243 138.0 +421.01444 8.0 +421.23551 726.0 +421.79293 8.0 +425.24674 9.0 +427.18677 9.0 +429.22934 10.0 +430.23694 30.0 +433.23647 24.0 +434.15782 13.0 +437.25271 14.0 +438.22815 17.0 +439.24837 558.0 +445.82935 8.0 +445.95798 8.0 +447.28464 17.0 +449.19792 22.0 +451.2476 29.0 +453.27057 23.0 +455.23855 16.0 +456.26223 16.0 +457.24583 10.0 +458.30226 12.0 +458.36343 9.0 +459.27585 12.0 +462.13845 38.0 +462.29108 26.0 +465.29984 13.0 +466.19423 9.0 +469.25497 9.0 +471.05038 11.0 +471.27234 8.0 +473.30817 10.0 +474.21594 8.0 +474.34929 9.0 +475.30001 62.0 +478.26021 29.0 +480.3225 19.0 +485.19808 9.0 +485.29016 9.0 +486.2605 8.0 +488.29041 12.0 +489.29555 36.0 +491.30072 9.0 +491.49454 8.0 +492.15971 8.0 +493.29706 29.0 +495.29671 17.0 +496.26605 81.0 +506.32245 200.0 +510.31161 14.0 +511.27863 9.0 +514.27331 8.0 +514.68685 8.0 +515.2239 8.0 +516.28642 87.0 +523.31812 18.0 +524.32893 119.0 +529.21177 39.0 +531.2716 280.0 +534.31884 456.0 +535.04041 9.0 +535.44142 16.0 +541.28796 82.0 +546.31722 13.0 +547.3117 9.0 +548.23529 13.0 +549.28224 287.0 +549.80713 8.0 +552.33172 194.0 +552.47355 11.0 +552.78588 12.0 +556.30814 16.0 +557.23253 8.0 +562.28328 49.0 +567.87421 11.0 +568.30116 10.0 +575.2269 15.0 +577.24334 11.0 +581.36206 10.0 +586.27006 15.0 +587.32494 8.0 +588.39653 9.0 +591.34523 23.0 +601.29781 15.0 +609.36511 20.0 +611.3005 11.0 +624.58007 9.0 +629.30146 35.0 +632.28715 8.0 +642.32311 10.0 +643.2996 14.0 +646.29947 35.0 +653.36571 12.0 +656.30527 8.0 +657.36287 8.0 +664.31468 218.0 +671.35482 19.0 +681.38786 23.0 +686.30586 9.0 +699.41146 10.0 +703.34025 18.0 +704.32076 44.0 +717.40101 14.0 +720.39126 11.0 +721.34011 527.0 +723.15726 12.0 +739.40113 13.0 +750.35144 8.0 +756.43041 17.0 +758.34052 11.0 +773.34954 11.0 +777.42262 11.0 +782.36633 11.0 +786.04206 9.0 +800.39111 9.0 +853.45193 13.0 +868.44605 9.0 +869.42564 52.0 +889.48281 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 57, +MSn(734.4000), 55.8 min +PEPMASS=734.39994000000002 +CHARGE=2+ +197.13817 46.0 +199.1136 17.0 +200.07747 12.0 +201.11017 32.0 +207.12516 246.0 +211.13516 14.0 +212.11432 10.0 +213.09908 86.0 +213.17634 18.0 +215.14721 137.0 +217.1101 843.0 +221.14723 42.0 +224.1218 13.0 +225.14225 11.0 +226.16639 139.0 +230.13578 21.0 +231.12746 18.0 +235.12199 197.0 +239.13015 20.0 +240.17829 10.0 +242.13965 12.0 +243.12795 35.0 +244.17818 598.0 +249.13446 62.0 +254.16818 12.0 +260.14666 74.0 +265.1266 31.0 +268.17015 103.0 +272.1599 79.0 +286.18906 67.0 +287.35961 11.0 +287.56884 12.0 +288.14712 1016.0 +290.19755 17.0 +291.16135 13.0 +292.16545 10.0 +294.19226 13.0 +300.14481 31.0 +302.11345 10.0 +302.55135 13.0 +304.14733 12.0 +306.15731 428.0 +309.16544 17.0 +311.17931 21.0 +314.14935 39.0 +317.19188 22.0 +318.15893 137.0 +323.1773 19.0 +325.22003 21.0 +326.15678 92.0 +328.20322 18.0 +336.16539 37.0 +337.20035 59.0 +342.14441 325.0 +342.27195 11.0 +343.24341 68.0 +344.18147 84.0 +353.18264 16.0 +355.21529 117.0 +357.12546 18.0 +359.17982 59.0 +361.27409 13.0 +362.19315 90.0 +371.18565 54.0 +373.21774 127.0 +376.17393 43.0 +383.19121 10.0 +387.20765 14.0 +389.19608 161.0 +391.24427 141.0 +394.17955 25.0 +395.19652 10.0 +398.20098 15.0 +399.23856 12.0 +404.21803 23.0 +405.22695 10.0 +407.20042 51.0 +410.11945 12.0 +415.20301 12.0 +417.21765 10.0 +419.23871 111.0 +423.19562 11.0 +425.18406 148.0 +431.23933 31.0 +439.24113 18.0 +441.21708 22.0 +443.19528 467.0 +443.70025 13.0 +448.27196 14.0 +449.24421 12.0 +455.23052 15.0 +456.25829 20.0 +457.22564 129.0 +461.22591 10.0 +462.85683 12.0 +465.24812 54.0 +466.25981 29.0 +470.21056 11.0 +472.25742 13.0 +473.19569 14.0 +474.2749 40.0 +474.75692 721.0 +477.2474 17.0 +480.26758 16.0 +481.23619 21.0 +482.19551 42.0 +484.27108 76.0 +487.21408 18.0 +488.18892 15.0 +489.22262 10.0 +491.20399 66.0 +492.29739 46.0 +493.25998 104.0 +497.23024 66.0 +502.28392 182.0 +503.77414 13.0 +505.20684 12.0 +506.31613 146.0 +506.45229 14.0 +507.94721 10.0 +508.22705 37.0 +509.21341 127.0 +512.27809 11.0 +514.26926 25.0 +516.26794 82.0 +520.29372 152.0 +524.25354 38.0 +525.25857 237.0 +525.78743 63.0 +530.27827 86.0 +533.3123 19.0 +534.24148 115.0 +537.32411 10.0 +540.26614 32.0 +542.25813 69.0 +544.2441 157.0 +547.25191 13.0 +549.28743 37.0 +552.27648 20.0 +554.25034 21.0 +555.12433 11.0 +555.78378 11.0 +556.28691 34.0 +558.28277 59.0 +560.25924 156.0 +562.24143 144.0 +566.28421 14.0 +567.30019 10.0 +568.30974 16.0 +569.31005 17.0 +570.25254 40.0 +572.25823 21.0 +572.81843 118.0 +576.31084 14.0 +577.27959 11.0 +577.54924 14.0 +578.26851 593.0 +580.99375 10.0 +584.83227 11.0 +586.24429 19.0 +588.25132 771.0 +594.29435 14.0 +595.33581 51.0 +598.29305 12.0 +599.31346 34.0 +601.29152 28.0 +601.81804 11.0 +604.27288 20.0 +606.26691 1292.0 +606.79101 16.0 +607.93851 13.0 +608.826 31.0 +610.85933 12.0 +611.31898 18.0 +613.3677 13.0 +614.30358 12.0 +618.31779 33.0 +621.3038 13.0 +622.30641 15.0 +623.29732 23.0 +625.30381 18.0 +627.31559 38.0 +633.30044 14.0 +635.29487 44.0 +639.32689 54.0 +641.31056 13.0 +642.30586 23.0 +642.46564 13.0 +643.30068 48.0 +643.88719 11.0 +645.27833 32.0 +647.32808 10.0 +651.85486 26.0 +652.38204 16.0 +653.35604 15.0 +657.32923 17.0 +658.31072 11.0 +659.31827 43.0 +660.31583 45.0 +661.32038 46.0 +662.30772 107.0 +663.50586 10.0 +668.33854 37.0 +671.3059 92.0 +675.31806 19.0 +676.84979 13.0 +677.32959 495.0 +687.32646 252.0 +689.31064 335.0 +694.34045 10.0 +696.34826 40.0 +699.31895 46.0 +702.41119 10.0 +703.32825 32.0 +704.45004 10.0 +705.33012 1375.0 +707.90747 22.0 +710.35534 40.0 +712.4576 13.0 +719.36732 40.0 +721.35105 63.0 +725.41204 13.0 +729.38616 10.0 +733.36615 12.0 +734.38018 16.0 +735.4425 11.0 +736.4148 236.0 +737.549 17.0 +743.359 12.0 +744.35487 50.0 +749.50558 12.0 +751.39638 11.0 +758.37942 14.0 +761.37266 54.0 +770.36254 29.0 +772.39112 17.0 +774.40576 27.0 +776.37895 25.0 +778.39001 165.0 +784.38139 12.0 +788.37409 201.0 +794.38423 13.0 +797.4118 13.0 +802.39183 111.0 +806.38524 371.0 +816.37912 13.0 +819.42987 16.0 +820.40079 16.0 +821.45615 11.0 +826.41184 12.0 +828.4122 10.0 +837.44941 10.0 +844.39641 11.0 +845.21991 10.0 +849.43579 10.0 +851.45104 157.0 +861.4413 16.0 +863.4425 10.0 +868.41218 16.0 +869.43687 11.0 +871.44139 10.0 +873.44655 57.0 +891.45817 48.0 +896.44368 10.0 +900.54618 21.0 +901.47359 49.0 +919.49551 34.0 +926.48396 16.0 +944.45918 12.0 +945.4719 10.0 +946.48236 17.0 +947.47146 12.0 +948.50656 1110.0 +961.4641 13.0 +962.49014 11.0 +972.49947 40.0 +974.54003 10.0 +980.50359 14.0 +982.51706 12.0 +990.50736 18.0 +991.52192 10.0 +994.31813 12.0 +1005.52342 14.0 +1031.52861 26.0 +1049.5548 381.0 +1060.53773 10.0 +1075.87088 15.0 +1088.54844 10.0 +1162.65046 31.0 +1233.68226 19.0 +1234.69064 16.0 +1493.83837 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 58, +MSn(507.8312), 56.3 min +PEPMASS=507.83123000000001 +CHARGE=2+ +195.09187 59.0 +197.14067 76.0 +199.18949 71.0 +200.12938 8.0 +201.12987 178.0 +203.04741 7.0 +206.1197 8.0 +207.1233 11.0 +209.10816 12.0 +210.12804 23.0 +211.15727 22.0 +212.11576 161.0 +213.16954 201.0 +215.15151 217.0 +217.12016 16.0 +220.1264 12.0 +221.11939 18.0 +222.12943 14.0 +223.15364 7.0 +225.14131 47.0 +227.18059 39.0 +228.09967 12.0 +229.12996 705.0 +233.19541 8.0 +235.13847 13.0 +237.13998 20.0 +238.13186 102.0 +238.41535 8.0 +239.18085 39.0 +240.13151 44.0 +242.1936 50.0 +243.15124 194.0 +246.13243 9.0 +249.14861 10.0 +250.14118 9.0 +251.16439 11.0 +252.65523 12.0 +253.18794 11.0 +254.14706 17.0 +254.51357 8.0 +255.15939 18.0 +257.65535 12.0 +258.13469 10.0 +259.14264 9.0 +260.20789 336.0 +262.16813 18.0 +264.16009 8.0 +265.13844 264.0 +267.60911 8.0 +270.18797 8.0 +271.18568 15.0 +273.13951 9.0 +274.18189 9.0 +275.1992 9.0 +279.18248 11.0 +281.14577 11.0 +281.23789 12.0 +283.15226 267.0 +284.19562 160.0 +284.59084 11.0 +284.72221 8.0 +286.1908 107.0 +288.15184 10.0 +294.19896 12.0 +296.16982 25.0 +297.17545 48.0 +299.19746 8.0 +300.15335 17.0 +301.16098 64.0 +303.13118 10.0 +305.7169 9.0 +307.1828 19.0 +308.15195 10.0 +308.63935 26.0 +312.00761 8.0 +312.69044 11.0 +314.18643 50.0 +317.15713 10.0 +318.18077 13.0 +320.15128 9.0 +320.63939 11.0 +321.14039 19.0 +323.225 8.0 +324.20424 32.0 +325.19597 75.0 +326.64238 9.0 +327.22098 7.0 +328.11974 8.0 +329.18435 9.0 +335.65423 14.0 +338.22789 38.0 +339.14756 9.0 +339.65936 14.0 +340.02103 12.0 +340.20415 36.0 +342.21442 555.0 +346.14211 10.0 +351.21482 17.0 +352.27565 33.0 +353.19819 34.0 +355.24054 10.0 +356.23914 83.0 +357.13385 11.0 +361.24805 8.0 +366.19851 10.0 +367.25558 17.0 +368.23367 265.0 +368.88806 7.0 +371.16833 11.0 +371.27596 9.0 +373.29516 225.0 +375.29526 8.0 +376.21107 11.0 +378.23974 26.0 +379.20653 29.0 +379.89586 9.0 +381.24794 8.0 +383.25762 14.0 +384.25318 9.0 +385.25797 76.0 +390.02627 10.0 +394.21353 14.0 +395.24333 38.0 +396.23684 534.0 +401.17421 9.0 +409.27261 21.0 +410.27816 29.0 +413.24993 209.0 +416.25638 10.0 +424.22148 12.0 +425.25413 15.0 +427.29523 83.0 +436.20698 8.0 +438.84118 11.0 +441.25799 9.0 +442.32365 14.0 +445.1958 9.0 +449.24059 7.0 +450.29757 25.0 +452.28432 16.0 +454.30371 11.0 +455.29811 105.0 +457.30704 9.0 +458.2397 10.0 +459.14847 9.0 +459.25163 11.0 +461.19715 9.0 +464.17716 11.0 +466.31065 18.0 +467.30895 188.0 +472.27724 10.0 +476.29875 15.0 +477.28832 67.0 +479.20994 10.0 +480.3081 9.0 +480.72124 11.0 +481.31336 64.0 +483.28387 8.0 +484.32809 231.0 +487.23073 11.0 +489.24983 12.0 +489.82335 9.0 +490.31684 19.0 +491.10694 7.0 +491.2693 36.0 +493.2983 64.0 +495.30858 634.0 +498.93432 8.0 +499.82523 8.0 +500.20156 13.0 +500.30932 13.0 +502.3412 372.0 +502.95454 9.0 +504.21557 11.0 +505.33292 9.0 +506.27723 10.0 +506.44387 8.0 +507.17789 16.0 +508.28886 16.0 +508.47456 8.0 +509.17242 12.0 +509.3048 9.0 +509.41394 7.0 +510.31009 78.0 +513.30899 73.0 +523.34711 8.0 +524.27643 8.0 +526.33603 100.0 +536.24525 11.0 +538.34265 9.0 +540.36541 27.0 +562.31448 16.0 +566.39405 7.0 +567.27405 11.0 +568.39689 12.0 +571.3235 9.0 +573.2952 24.0 +576.33198 16.0 +577.18746 9.0 +578.20653 9.0 +578.33473 51.0 +581.36979 8.0 +582.37644 29.0 +589.3487 71.0 +593.36924 8.0 +594.04697 12.0 +594.33866 22.0 +595.19828 13.0 +596.21399 9.0 +596.36212 122.0 +598.35723 10.0 +599.38101 17.0 +600.31929 10.0 +601.41418 368.0 +605.30204 8.0 +606.34471 138.0 +608.34069 8.0 +609.38306 8.0 +610.39616 31.0 +612.33905 9.0 +617.24637 9.0 +622.33898 42.0 +624.35875 821.0 +624.87712 9.0 +639.27473 31.0 +639.41537 10.0 +641.32388 8.0 +649.25953 10.0 +675.40752 10.0 +677.22299 8.0 +685.40348 9.0 +691.40612 10.0 +693.4395 13.0 +694.3854 8.0 +702.44915 8.0 +703.44426 12.0 +707.42815 10.0 +709.45593 30.0 +710.45582 8.0 +712.28349 10.0 +714.50034 138.0 +716.49902 10.0 +719.44531 16.0 +719.99552 15.0 +728.41212 10.0 +735.44365 9.0 +737.45334 93.0 +785.54049 93.0 +824.14604 8.0 +825.29928 8.0 +838.77278 13.0 +886.60945 10.0 +1335.30342 8.0 +1522.30225 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 59, +MSn(679.3704), 56.4 min +PEPMASS=679.37036999999998 +CHARGE=2+ +195.08964 24.0 +199.12762 9.0 +201.13454 150.0 +203.10575 11.0 +204.14584 282.0 +213.11668 16.0 +216.11523 9.0 +217.10826 18.0 +217.6498 11.0 +218.15875 11.0 +219.14766 11.0 +221.11392 18.0 +224.11675 12.0 +227.11889 11.0 +232.08249 32.0 +234.13578 12.0 +243.15946 9.0 +244.11115 42.0 +247.15066 27.0 +249.10648 95.0 +251.20887 11.0 +259.08503 65.0 +260.20371 16.0 +262.1441 90.0 +270.17271 10.0 +275.11899 52.0 +277.09812 78.0 +278.1214 10.0 +282.21119 14.0 +284.16715 31.0 +286.17373 15.0 +294.17539 10.0 +301.20748 12.0 +303.2138 246.0 +311.12777 12.0 +312.17942 11.0 +313.16556 10.0 +318.19936 73.0 +320.14269 14.0 +327.15816 18.0 +330.16047 19.0 +338.18349 22.0 +345.16874 18.0 +346.13278 9.0 +346.21985 10.0 +347.16905 13.0 +348.17513 83.0 +357.19551 11.0 +358.15554 10.0 +361.20547 71.0 +363.15534 11.0 +365.22462 17.0 +368.23906 10.0 +369.29746 10.0 +370.19175 10.0 +372.19898 9.0 +373.16944 26.0 +373.28511 13.0 +374.11904 9.0 +375.22601 13.0 +376.16966 20.0 +377.17269 9.0 +383.22559 13.0 +388.09896 11.0 +388.24626 10.0 +389.26722 9.0 +391.1584 88.0 +400.23614 14.0 +404.18154 10.0 +408.19813 11.0 +415.24131 12.0 +416.59028 10.0 +417.16668 10.0 +419.20192 11.0 +422.21368 9.0 +426.2275 16.0 +427.15749 9.0 +428.21987 10.0 +429.18305 13.0 +430.35554 9.0 +432.24833 30.0 +437.2674 12.0 +438.2789 10.0 +439.23282 15.0 +440.22517 13.0 +441.18398 17.0 +444.24236 15.0 +445.22211 43.0 +446.76254 17.0 +449.22971 15.0 +450.28728 322.0 +455.21058 13.0 +455.30275 16.0 +457.18776 12.0 +458.22392 12.0 +459.24568 13.0 +460.25461 21.0 +462.24411 43.0 +465.25375 59.0 +470.27362 10.0 +472.23304 159.0 +477.21626 58.0 +479.2779 11.0 +480.24835 22.0 +481.2477 38.0 +483.23943 35.0 +484.30472 10.0 +485.2359 11.0 +486.2822 18.0 +487.27493 19.0 +490.23128 157.0 +496.32001 10.0 +498.80964 37.0 +500.24363 20.0 +501.21376 47.0 +503.28436 28.0 +504.52657 9.0 +506.3187 11.0 +506.75197 9.0 +508.25199 37.0 +510.22886 149.0 +510.77111 89.0 +514.28217 9.0 +516.27229 102.0 +521.32545 644.0 +526.25865 34.0 +527.25301 34.0 +528.25485 99.0 +533.25972 10.0 +533.78327 9.0 +534.30967 48.0 +538.22435 259.0 +538.78663 9.0 +539.80811 14.0 +540.36774 11.0 +543.27009 55.0 +544.26207 148.0 +547.30104 220.0 +550.3217 15.0 +551.31707 71.0 +554.26231 33.0 +556.25569 47.0 +559.30656 15.0 +561.29067 207.0 +561.8031 31.0 +564.32074 42.0 +565.3614 10.0 +566.29472 12.0 +568.29053 91.0 +570.78614 115.0 +571.96354 9.0 +573.26922 122.0 +577.32219 11.0 +579.31755 116.0 +581.294 13.0 +583.29625 27.0 +586.30468 12.0 +587.40852 13.0 +588.33152 52.0 +589.32594 34.0 +591.26788 39.0 +592.28176 159.0 +595.47849 9.0 +597.34763 32.0 +599.29804 15.0 +600.27525 18.0 +601.28595 48.0 +608.31917 12.0 +609.29416 99.0 +615.31875 32.0 +617.83411 9.0 +618.322 10.0 +618.97379 9.0 +619.2762 31.0 +619.41314 12.0 +620.40058 336.0 +621.26262 36.0 +623.28811 10.0 +624.31879 31.0 +627.32752 79.0 +628.84727 11.0 +631.58538 12.0 +632.33089 13.0 +634.33845 12.0 +635.29772 20.0 +635.40577 17.0 +636.64496 13.0 +637.30277 124.0 +638.84329 10.0 +640.34131 9.0 +640.88311 13.0 +642.28056 11.0 +643.33494 19.0 +644.3241 87.0 +647.35346 73.0 +647.86761 10.0 +654.31385 10.0 +655.32692 14.0 +656.32932 54.0 +660.37513 16.0 +661.31733 10.0 +662.36863 13.0 +663.32803 73.0 +670.36432 9.0 +672.33063 44.0 +674.33297 52.0 +677.3246 9.0 +678.36757 53.0 +683.32732 23.0 +685.45284 24.0 +687.40121 9.0 +690.34422 23.0 +691.32839 132.0 +695.91721 9.0 +698.3209 25.0 +701.48092 21.0 +702.3854 13.0 +703.29763 11.0 +708.34718 139.0 +711.50885 9.0 +712.45912 11.0 +717.33857 102.0 +721.3277 41.0 +729.37621 27.0 +732.40084 10.0 +737.44311 9.0 +738.34523 28.0 +739.34778 43.0 +744.37691 11.0 +746.37356 40.0 +749.49249 9.0 +755.40042 9.0 +756.35308 11.0 +756.45898 10.0 +757.63336 14.0 +760.38473 9.0 +762.39169 25.0 +767.47666 182.0 +769.30463 10.0 +769.48002 9.0 +773.39068 51.0 +776.41062 12.0 +779.44166 15.0 +782.69749 10.0 +783.47508 10.0 +790.39816 19.0 +791.40485 81.0 +801.39399 26.0 +807.41012 15.0 +809.42667 12.0 +810.40498 43.0 +815.41152 9.0 +819.39936 28.0 +821.40788 10.0 +826.44083 28.0 +829.42906 10.0 +838.37704 37.0 +844.45227 18.0 +845.44369 45.0 +855.39837 39.0 +864.49888 14.0 +873.44677 25.0 +874.10982 11.0 +881.52514 147.0 +881.71706 9.0 +883.53756 10.0 +891.45142 10.0 +892.51187 10.0 +901.58791 13.0 +911.45208 9.0 +917.44798 10.0 +922.48035 11.0 +934.51698 10.0 +947.49413 16.0 +992.54592 9.0 +993.54816 30.0 +1001.83209 16.0 +1010.56758 135.0 +1021.55722 24.0 +1022.53797 11.0 +1066.58223 15.0 +1067.57413 10.0 +1076.59108 9.0 +1093.61488 35.0 +1094.61676 35.0 +1157.62782 35.0 +1618.95063 20.0 +END IONS +BEGIN IONS +TITLE=Cmpd 60, +MSn(756.4164), 56.6 min +PEPMASS=756.41643999999997 +CHARGE=2+ +197.13084 16.0 +199.12176 28.0 +200.1572 15.0 +202.09852 15.0 +207.12836 70.0 +213.16681 44.0 +215.14926 41.0 +217.10866 227.0 +219.1485 16.0 +221.15191 16.0 +226.1335 148.0 +229.1195 20.0 +231.12525 13.0 +235.12479 57.0 +243.18241 27.0 +244.17701 226.0 +245.10668 13.0 +249.13368 31.0 +258.13423 21.0 +259.0959 12.0 +261.16269 20.0 +262.14414 19.0 +264.14856 26.0 +268.12535 20.0 +271.14171 17.0 +272.17157 48.0 +276.11458 29.0 +283.157 80.0 +287.20145 14.0 +288.1441 402.0 +294.18127 18.0 +296.34402 14.0 +297.20397 38.0 +298.15005 23.0 +299.20479 16.0 +302.12262 18.0 +304.19988 18.0 +306.1672 204.0 +310.11739 32.0 +315.1959 15.0 +318.15325 24.0 +320.16488 31.0 +320.95732 13.0 +323.17039 21.0 +324.18897 22.0 +325.19852 272.0 +327.62406 13.0 +335.29873 17.0 +338.2046 15.0 +342.14927 152.0 +343.2392 74.0 +349.17886 12.0 +351.05089 12.0 +354.15317 15.0 +355.21001 64.0 +358.26609 13.0 +361.20841 80.0 +362.02254 19.0 +363.63428 15.0 +365.19517 15.0 +367.20187 20.0 +367.55393 22.0 +371.19284 31.0 +373.22814 44.0 +381.23773 13.0 +384.86248 19.0 +385.2302 13.0 +386.20032 15.0 +389.19638 99.0 +391.24501 90.0 +394.23606 30.0 +395.19223 21.0 +396.27668 45.0 +399.25588 13.0 +401.21958 14.0 +401.31071 15.0 +403.22088 13.0 +406.21732 56.0 +412.23564 37.0 +419.24145 19.0 +424.26754 92.0 +426.19388 15.0 +436.34571 15.0 +437.22604 22.0 +439.15461 23.0 +439.56147 15.0 +443.19395 98.0 +447.2155 17.0 +448.18364 23.0 +448.31439 19.0 +449.73889 41.0 +450.77659 57.0 +451.17763 14.0 +454.27213 12.0 +457.24442 92.0 +460.76574 15.0 +462.26467 13.0 +469.24104 18.0 +472.24871 28.0 +474.29792 17.0 +474.75819 16.0 +475.27082 177.0 +476.58927 13.0 +481.19602 16.0 +483.30847 20.0 +484.0177 16.0 +485.27368 21.0 +486.00284 13.0 +488.7279 33.0 +490.2896 193.0 +492.81804 34.0 +495.27744 83.0 +495.94507 60.0 +497.24932 220.0 +499.7803 29.0 +501.30349 61.0 +502.69592 17.0 +504.20359 27.0 +508.23911 50.0 +508.29883 21.0 +511.30615 36.0 +512.16863 14.0 +512.28328 102.0 +516.78695 25.0 +518.2818 16.0 +519.14911 13.0 +520.27337 84.0 +524.35034 20.0 +526.24652 35.0 +526.81642 28.0 +529.2665 14.0 +530.31195 15.0 +531.27228 34.0 +534.31053 29.0 +535.31298 47.0 +535.95153 70.0 +538.24587 61.0 +538.76539 14.0 +539.26418 65.0 +540.85244 16.0 +541.26868 29.0 +544.24031 53.0 +545.81155 19.0 +547.29016 24.0 +547.77866 124.0 +550.30062 26.0 +551.29511 76.0 +552.78981 41.0 +553.19673 45.0 +558.29244 27.0 +560.22882 25.0 +562.32839 44.0 +565.89861 13.0 +566.31484 40.0 +569.271 21.0 +571.79589 18.0 +572.33068 14.0 +573.584 14.0 +575.5712 17.0 +576.3114 68.0 +579.32927 60.0 +580.75176 28.0 +584.35134 21.0 +586.35747 24.0 +586.94018 27.0 +587.30098 33.0 +589.34462 91.0 +589.79655 14.0 +592.31868 35.0 +592.73159 14.0 +593.21611 22.0 +594.36001 24.0 +595.33637 60.0 +595.81483 16.0 +598.29861 31.0 +601.80951 22.0 +603.2571 31.0 +606.23945 63.0 +608.34649 14.0 +609.29425 22.0 +610.30968 46.0 +612.35378 41.0 +615.27412 64.0 +623.27323 86.0 +624.36493 16.0 +626.79268 17.0 +627.44979 14.0 +628.2824 18.0 +629.32325 27.0 +631.33774 56.0 +633.23856 211.0 +633.38319 21.0 +637.34298 25.0 +638.81935 13.0 +639.39921 37.0 +643.30918 19.0 +646.3162 15.0 +647.38431 26.0 +649.39938 87.0 +649.88088 21.0 +650.54587 18.0 +651.25327 463.0 +651.80904 16.0 +653.39801 32.0 +655.31556 14.0 +657.3695 42.0 +661.37375 20.0 +667.27018 30.0 +671.34313 36.0 +671.96102 13.0 +673.33617 17.0 +674.82236 15.0 +676.39012 16.0 +677.32041 15.0 +678.44977 28.0 +680.30108 21.0 +680.40322 25.0 +680.8802 13.0 +683.78303 13.0 +687.37366 24.0 +688.90098 34.0 +689.42075 44.0 +689.89169 70.0 +691.33634 16.0 +694.3075 16.0 +696.34837 36.0 +697.91742 46.0 +698.40927 127.0 +699.71746 19.0 +701.4327 46.0 +705.35522 62.0 +706.35097 17.0 +706.92 314.0 +709.37076 48.0 +711.98688 14.0 +712.32262 17.0 +716.27932 18.0 +718.33411 52.0 +722.329 54.0 +722.5468 13.0 +723.32945 107.0 +726.40197 20.0 +728.41286 17.0 +729.35082 31.0 +731.44618 16.0 +732.32542 45.0 +732.60414 25.0 +734.29865 75.0 +738.53141 15.0 +739.43212 21.0 +742.17917 15.0 +742.29151 13.0 +747.88313 20.0 +749.35694 13.0 +750.31619 608.0 +755.44028 20.0 +756.4571 152.0 +756.46024 140.0 +763.34399 25.0 +764.41437 65.0 +764.52189 28.0 +768.04484 24.0 +771.43797 23.0 +772.58602 13.0 +776.38292 18.0 +779.39501 13.0 +781.04543 13.0 +781.4013 135.0 +787.44642 16.0 +789.3695 31.0 +791.21261 18.0 +803.46874 15.0 +823.38295 29.0 +832.39503 33.0 +835.40182 13.0 +845.39164 14.0 +847.37984 25.0 +851.37941 122.0 +869.41056 28.0 +883.5359 27.0 +896.44386 58.0 +898.51984 26.0 +900.54591 690.0 +914.99075 21.0 +916.52856 13.0 +919.41778 14.0 +921.03749 32.0 +937.52906 13.0 +946.09533 14.0 +951.51791 43.0 +955.51664 15.0 +963.00643 29.0 +964.48001 15.0 +975.48441 48.0 +981.50564 15.0 +993.49136 386.0 +1001.60444 148.0 +1007.27326 17.0 +1051.58766 71.0 +1070.59986 40.0 +1088.6355 310.0 +1088.86507 18.0 +1094.55003 150.0 +1143.67133 15.0 +1187.70705 137.0 +1207.63721 18.0 +1208.66223 14.0 +1298.75749 17.0 +1316.77247 16.0 +END IONS +BEGIN IONS +TITLE=Cmpd 61, +MSn(708.3758), 56.7 min +PEPMASS=708.37576999999999 +CHARGE=2+ +195.09024 50.0 +200.14978 23.0 +201.13385 533.0 +209.09847 47.0 +211.12555 27.0 +213.09886 94.0 +215.12508 27.0 +216.12055 28.0 +217.11227 31.0 +219.13142 203.0 +226.12779 204.0 +230.10319 57.0 +231.10847 24.0 +234.138 61.0 +239.12985 84.0 +244.13208 282.0 +247.14465 141.0 +249.10455 279.0 +251.16046 29.0 +259.08687 258.0 +262.14977 1316.0 +266.1601 52.0 +273.17148 31.0 +275.11711 166.0 +277.09839 497.0 +282.09418 26.0 +284.1643 150.0 +289.15215 35.0 +291.12164 19.0 +295.12951 23.0 +298.13051 18.0 +299.13045 31.0 +302.13181 23.0 +307.15121 293.0 +312.1637 34.0 +315.14942 26.0 +316.17527 22.0 +318.195 326.0 +320.1836 153.0 +325.20199 21.0 +327.14473 146.0 +330.16389 118.0 +333.18705 24.0 +336.18699 21.0 +338.19122 155.0 +342.14414 20.0 +343.21272 36.0 +344.1832 41.0 +345.16906 41.0 +346.14744 24.0 +348.17208 472.0 +361.21314 953.0 +373.14667 147.0 +376.16928 98.0 +380.19836 21.0 +385.21544 31.0 +387.2179 21.0 +389.26013 30.0 +391.15672 485.0 +398.19954 24.0 +399.19758 21.0 +401.16263 48.0 +403.18342 19.0 +404.17116 94.0 +409.1875 19.0 +411.22421 24.0 +413.22275 48.0 +414.21472 30.0 +415.21144 97.0 +417.26072 36.0 +419.18622 37.0 +420.23665 59.0 +421.23791 106.0 +427.21049 57.0 +429.18333 28.0 +432.23213 321.0 +436.22748 23.0 +437.26782 48.0 +438.26376 33.0 +439.24453 162.0 +442.23298 20.0 +443.19799 23.0 +444.23668 64.0 +445.21788 81.0 +446.21277 231.0 +451.22178 28.0 +453.24539 33.0 +454.23913 22.0 +455.21537 43.0 +456.21673 35.0 +457.19361 124.0 +460.23258 52.0 +461.21351 19.0 +462.23063 205.0 +465.25643 227.0 +470.24587 19.0 +471.24721 29.0 +472.23203 380.0 +474.22201 481.0 +475.76112 36.0 +477.2204 263.0 +480.24143 66.0 +481.25761 50.0 +482.23144 171.0 +487.26449 27.0 +490.23127 556.0 +495.23769 39.0 +497.24536 21.0 +498.24996 49.0 +499.26396 60.0 +500.22097 361.0 +504.30403 21.0 +506.31675 57.0 +508.29339 2778.0 +510.23234 590.0 +515.28588 25.0 +516.26071 76.0 +517.26922 66.0 +518.24963 120.0 +520.20615 220.0 +524.33285 36.0 +526.25122 50.0 +527.26596 129.0 +528.24924 338.0 +531.2885 101.0 +532.2898 288.0 +534.31001 357.0 +538.22314 1265.0 +539.77735 368.0 +539.94367 26.0 +543.27671 228.0 +544.2634 770.0 +544.78933 28.0 +549.29163 231.0 +551.31138 102.0 +552.31546 166.0 +555.25827 44.0 +556.27036 332.0 +558.79732 49.0 +559.79423 20.0 +561.29065 768.0 +566.22858 41.0 +567.30851 41.0 +567.79743 241.0 +571.2686 139.0 +573.26475 471.0 +576.30889 1092.0 +579.33175 4756.0 +579.67429 19.0 +579.81365 21.0 +581.79312 52.0 +584.26623 22.0 +585.27636 31.0 +586.29329 19.0 +587.30793 18.0 +588.28251 22.0 +589.30156 250.0 +590.79747 139.0 +591.27984 231.0 +592.27576 464.0 +598.29983 24.0 +599.29989 110.0 +599.80145 272.0 +601.30356 530.0 +604.24773 25.0 +607.30665 36.0 +608.31369 168.0 +608.79908 507.0 +609.30107 784.0 +610.81841 295.0 +614.33442 18.0 +615.33302 32.0 +616.33658 34.0 +616.83664 19.0 +617.31921 118.0 +619.28422 69.0 +620.27209 310.0 +625.84864 178.0 +626.34246 130.0 +627.30873 329.0 +633.36638 51.0 +634.35648 20.0 +635.3258 36.0 +637.29047 639.0 +643.32615 25.0 +644.32328 506.0 +645.84554 28.0 +649.30755 19.0 +650.36952 40.0 +653.34465 37.0 +654.3267 40.0 +655.32403 45.0 +656.32914 80.0 +657.33022 211.0 +657.8539 34.0 +658.85596 30.0 +661.36472 103.0 +663.32493 348.0 +667.35992 42.0 +667.86305 169.0 +671.35612 30.0 +672.33324 136.0 +674.3323 238.0 +676.3691 325.0 +678.40411 2240.0 +682.34555 36.0 +685.30025 20.0 +688.39148 61.0 +690.33446 85.0 +691.32396 599.0 +698.38823 19.0 +699.38824 41.0 +700.39617 36.0 +701.3658 63.0 +701.87531 33.0 +702.35398 31.0 +703.33234 112.0 +708.34382 600.0 +710.88037 25.0 +718.35094 46.0 +719.33272 59.0 +720.3316 148.0 +721.33506 416.0 +726.37012 29.0 +727.37706 27.0 +728.37501 25.0 +736.36374 32.0 +737.34969 27.0 +738.34331 314.0 +743.40385 37.0 +744.40127 29.0 +745.38427 42.0 +746.36706 50.0 +747.37114 38.0 +748.38083 18.0 +754.36395 20.0 +755.39495 37.0 +756.36745 156.0 +762.38922 53.0 +763.39038 61.0 +764.37587 22.0 +772.39583 23.0 +773.40201 69.0 +774.3854 229.0 +779.4318 26.0 +782.38064 27.0 +783.38632 28.0 +784.37434 20.0 +790.41118 54.0 +791.39737 371.0 +800.40043 44.0 +802.38967 39.0 +807.4326 48.0 +808.42762 31.0 +809.41033 40.0 +810.39824 52.0 +811.39155 21.0 +812.3895 25.0 +818.40864 18.0 +819.39096 42.0 +820.38578 49.0 +821.39667 20.0 +825.47739 1198.0 +835.44745 34.0 +836.47339 18.0 +837.41305 32.0 +838.3822 136.0 +844.44054 189.0 +853.44489 20.0 +855.4051 201.0 +868.42449 381.0 +873.44734 54.0 +890.46062 169.0 +909.45423 32.0 +913.46459 28.0 +921.51636 19.0 +922.50101 151.0 +937.4578 25.0 +938.45311 24.0 +939.53106 971.0 +950.4963 42.0 +951.50765 32.0 +952.49777 26.0 +954.48091 35.0 +955.47755 33.0 +956.46755 20.0 +981.50553 180.0 +991.5234 39.0 +992.51714 19.0 +1000.50677 36.0 +1001.53715 22.0 +1050.55974 181.0 +1064.53533 18.0 +1068.57663 707.0 +1078.54742 212.0 +1082.55993 142.0 +1095.56238 21.0 +1124.59429 31.0 +1125.58226 31.0 +1134.58303 23.0 +1135.59138 19.0 +1151.61051 456.0 +1198.59562 50.0 +1215.61429 322.0 +END IONS +BEGIN IONS +TITLE=Cmpd 62, +MSn(715.8738), 57.0 min +PEPMASS=715.87382000000002 +CHARGE=2+ +199.12238 18.0 +200.14912 21.0 +201.13723 49.0 +201.75374 26.0 +211.93529 12.0 +212.11693 11.0 +213.09653 17.0 +213.17233 14.0 +215.11732 16.0 +216.13621 18.0 +217.11492 18.0 +219.13139 18.0 +220.16929 11.0 +225.1359 19.0 +226.12342 51.0 +230.10352 14.0 +231.09807 16.0 +234.14872 15.0 +235.1435 13.0 +239.17953 11.0 +240.11892 16.0 +244.11617 37.0 +245.11908 69.0 +247.12452 43.0 +249.11236 32.0 +251.16494 11.0 +255.13352 12.0 +259.08608 31.0 +260.13505 15.0 +260.19174 11.0 +262.15356 156.0 +272.12722 32.0 +275.1287 15.0 +277.11117 64.0 +277.23346 11.0 +287.138 15.0 +289.13664 12.0 +305.18372 12.0 +306.69058 24.0 +308.14868 11.0 +309.17244 14.0 +310.11988 13.0 +316.16123 19.0 +318.19614 31.0 +320.18341 15.0 +325.19921 15.0 +327.16401 15.0 +328.14183 15.0 +329.4606 14.0 +330.16765 26.0 +343.20416 32.0 +348.17258 72.0 +351.26654 15.0 +353.13622 11.0 +355.28999 11.0 +358.17727 13.0 +359.20002 31.0 +361.21947 157.0 +372.2377 14.0 +373.14869 20.0 +376.15682 11.0 +377.02774 12.0 +381.21398 13.0 +381.67963 22.0 +387.28156 10.0 +389.20081 11.0 +391.14811 86.0 +401.17256 15.0 +405.17884 17.0 +406.32901 18.0 +414.20329 12.0 +417.26188 10.0 +420.24255 12.0 +426.22214 11.0 +427.22939 11.0 +428.22463 12.0 +430.20927 14.0 +432.21334 14.0 +433.22919 19.0 +434.17158 10.0 +437.22922 11.0 +438.26043 12.0 +440.20119 18.0 +443.21992 11.0 +446.20865 12.0 +448.24569 11.0 +454.28137 14.0 +455.20427 22.0 +456.26298 17.0 +457.18965 16.0 +458.23674 16.0 +459.22735 13.0 +461.25717 13.0 +462.22321 49.0 +462.45072 10.0 +465.25714 13.0 +466.24835 16.0 +468.25935 11.0 +469.25739 16.0 +471.23781 13.0 +472.23066 107.0 +477.21297 16.0 +477.48366 12.0 +479.83615 10.0 +480.22546 15.0 +481.2488 46.0 +483.40668 15.0 +486.25539 40.0 +489.25554 15.0 +490.23827 34.0 +492.20548 16.0 +492.33891 13.0 +494.25842 19.0 +495.28393 16.0 +497.25025 15.0 +498.20588 16.0 +499.24673 74.0 +504.23437 27.0 +505.08367 11.0 +506.26882 60.0 +508.29376 191.0 +510.22485 63.0 +512.34773 11.0 +514.26147 28.0 +516.34247 13.0 +517.27476 50.0 +521.18676 25.0 +521.29285 15.0 +522.31373 38.0 +524.27872 169.0 +528.10863 14.0 +528.26136 91.0 +534.3067 40.0 +537.19501 12.0 +538.21737 73.0 +538.34217 13.0 +539.77876 17.0 +540.2096 18.0 +541.33087 15.0 +542.244 11.0 +543.27056 19.0 +544.26194 37.0 +545.27368 38.0 +546.25793 55.0 +548.27619 81.0 +551.31345 68.0 +554.22484 50.0 +556.2774 75.0 +561.29153 84.0 +564.80549 12.0 +565.38744 14.0 +567.32952 12.0 +568.28533 84.0 +571.28035 52.0 +573.28243 83.0 +576.46596 21.0 +577.30755 87.0 +579.33203 383.0 +583.2733 12.0 +584.30778 125.0 +586.22804 24.0 +587.28899 19.0 +587.41706 10.0 +589.27844 141.0 +590.80511 11.0 +594.3076 16.0 +595.32741 295.0 +595.83795 13.0 +596.5549 10.0 +599.81779 11.0 +600.30159 47.0 +602.30123 110.0 +602.8361 20.0 +607.29356 27.0 +607.46175 10.0 +608.29022 33.0 +609.2975 66.0 +610.80835 13.0 +612.26726 16.0 +615.28966 18.0 +616.31141 39.0 +618.30317 104.0 +622.82461 16.0 +623.30272 14.0 +625.30326 41.0 +627.30229 65.0 +631.3334 13.0 +633.32115 19.0 +633.84916 10.0 +634.3319 45.0 +637.29626 40.0 +638.3973 11.0 +638.70679 15.0 +640.33832 13.0 +640.8036 11.0 +642.35938 60.0 +644.31588 24.0 +644.85262 12.0 +645.32047 65.0 +650.33543 16.0 +653.30268 35.0 +656.33554 28.0 +657.92524 12.0 +658.33462 61.0 +659.61656 17.0 +662.81231 11.0 +663.31419 29.0 +665.57859 10.0 +670.32801 80.0 +671.03381 12.0 +674.36065 69.0 +676.88426 11.0 +678.3967 175.0 +684.38425 28.0 +687.30965 17.0 +688.38939 14.0 +690.32005 75.0 +694.39416 139.0 +698.36443 24.0 +701.34812 56.0 +705.30344 11.0 +707.33825 16.0 +708.36321 26.0 +709.36216 38.0 +714.36027 34.0 +718.39743 11.0 +719.37215 115.0 +720.55485 13.0 +720.92851 75.0 +722.32945 28.0 +723.88731 11.0 +724.36068 42.0 +726.11181 14.0 +734.33934 12.0 +736.33716 19.0 +736.91034 11.0 +737.43815 17.0 +738.33631 12.0 +739.34394 33.0 +746.39999 11.0 +752.39228 10.0 +756.38873 14.0 +762.35199 32.0 +762.60535 14.0 +774.45101 12.0 +782.3666 14.0 +788.35105 11.0 +791.39262 25.0 +806.38689 60.0 +814.42725 11.0 +821.39603 12.0 +823.45759 28.0 +825.48235 33.0 +827.18909 21.0 +830.43509 13.0 +838.42882 13.0 +841.46775 63.0 +845.45092 13.0 +869.40748 15.0 +871.41783 21.0 +897.45276 12.0 +906.48068 17.0 +909.47604 13.0 +922.48665 12.0 +935.51348 16.0 +938.52506 36.0 +941.54937 11.0 +951.51311 25.0 +955.51769 74.0 +1066.5416 11.0 +1067.57064 37.0 +1082.554 45.0 +1139.80493 10.0 +1148.48103 11.0 +1167.60829 28.0 +1232.61339 13.0 +1997.43687 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 63, +MSn(636.6694), 57.4 min +PEPMASS=636.66936999999996 +CHARGE=3+ +209.11906 22.0 +213.10016 78.0 +215.15194 16.0 +221.13892 38.0 +231.12437 19.0 +233.17597 488.0 +240.14586 18.0 +244.08898 21.0 +244.17176 16.0 +249.13875 21.0 +257.14788 15.0 +258.15609 31.0 +261.16779 166.0 +276.16896 40.0 +277.16607 19.0 +285.14886 33.0 +295.15602 313.0 +314.14357 92.0 +318.19052 16.0 +324.1488 43.0 +351.70421 28.0 +357.17027 22.0 +358.17466 16.0 +359.20397 27.0 +362.21994 33.0 +368.1737 18.0 +375.19355 27.0 +377.21611 184.0 +386.19809 161.0 +393.72224 19.0 +407.71319 89.0 +415.19628 27.0 +416.72002 34.0 +417.20911 22.0 +425.18766 42.0 +427.7328 33.0 +428.226 26.0 +437.22858 27.0 +442.22453 18.0 +443.19783 223.0 +444.73092 14.0 +450.25472 142.0 +450.76272 43.0 +451.72727 17.0 +455.21362 16.0 +456.25179 17.0 +457.23081 128.0 +459.26578 269.0 +461.20241 55.0 +464.24119 139.0 +470.24677 23.0 +471.22333 95.0 +472.77952 33.0 +473.25297 243.0 +475.7549 17.0 +476.25155 25.0 +477.27231 19.0 +481.26621 16.0 +481.77925 45.0 +482.24732 162.0 +484.25479 23.0 +485.25328 18.0 +487.2642 27.0 +488.25663 19.0 +490.26595 38.0 +491.28368 34.0 +492.24635 265.0 +493.2574 90.0 +494.25802 32.0 +496.74168 27.0 +498.24958 15.0 +498.77031 52.0 +499.25946 31.0 +500.28426 18.0 +501.2846 16.0 +501.76638 27.0 +502.26347 17.0 +505.27432 57.0 +506.28529 30.0 +507.29677 14.0 +507.77429 50.0 +508.28025 28.0 +510.2698 24.0 +512.27103 17.0 +513.28045 21.0 +516.25203 22.0 +520.27528 15.0 +525.27384 29.0 +526.27414 16.0 +527.28057 22.0 +528.26824 17.0 +529.2802 23.0 +530.28046 41.0 +530.77675 41.0 +531.2897 22.0 +533.27755 188.0 +535.79047 19.0 +538.26822 49.0 +538.76057 24.0 +539.27871 46.0 +539.42798 23.0 +539.78038 27.0 +540.28893 185.0 +543.25366 34.0 +544.27255 45.0 +544.78165 27.0 +545.28074 29.0 +547.2707 29.0 +549.29081 266.0 +552.33391 32.0 +553.27943 141.0 +556.29699 48.0 +557.30134 17.0 +558.30095 148.0 +560.29021 16.0 +561.26642 29.0 +562.28408 16.0 +563.30191 15.0 +567.30195 17.0 +570.30397 23.0 +571.2932 262.0 +572.28023 504.0 +573.84735 48.0 +574.85186 21.0 +577.31247 24.0 +580.80082 21.0 +581.8092 23.0 +583.29775 15.0 +584.30293 54.0 +585.30409 25.0 +585.81269 16.0 +586.27767 22.0 +587.2924 153.0 +589.30475 4341.0 +589.81006 19.0 +591.83766 57.0 +594.79622 44.0 +595.32612 24.0 +595.8226 16.0 +596.33441 14.0 +597.29719 15.0 +600.3444 34.0 +600.67886 19.0 +601.32046 23.0 +602.34089 17.0 +603.80109 25.0 +604.30481 188.0 +605.83207 17.0 +618.36039 33.0 +619.3661 44.0 +628.3427 20.0 +629.35033 20.0 +631.31338 19.0 +633.37632 80.0 +633.87672 24.0 +634.86984 238.0 +635.51786 25.0 +638.36892 24.0 +639.34033 25.0 +639.50025 17.0 +640.35952 27.0 +640.50982 15.0 +642.38311 44.0 +642.88939 21.0 +644.34352 15.0 +645.84509 30.0 +646.35634 160.0 +646.85143 18.0 +655.33515 14.0 +656.33867 17.0 +657.35145 61.0 +658.35375 25.0 +667.35469 24.0 +668.34086 21.0 +674.34001 17.0 +676.35541 16.0 +680.31559 20.0 +683.3435 20.0 +684.37901 49.0 +685.35709 235.0 +689.39539 25.0 +691.35649 36.0 +691.85174 36.0 +698.32983 29.0 +699.36434 49.0 +700.35934 551.0 +702.39307 596.0 +710.3689 16.0 +717.39432 133.0 +719.34784 229.0 +736.36577 18.0 +748.412 20.0 +753.4094 18.0 +754.38621 50.0 +755.38643 25.0 +756.36317 18.0 +757.52268 21.0 +759.41816 19.0 +769.90567 23.0 +770.40712 33.0 +773.89397 141.0 +778.90779 28.0 +785.4367 32.0 +786.4058 26.0 +788.43782 14.0 +793.40108 16.0 +798.43482 26.0 +800.4497 14.0 +801.40723 21.0 +802.41458 14.0 +803.44455 851.0 +811.41798 28.0 +814.41911 143.0 +815.9196 36.0 +817.39542 50.0 +818.39538 30.0 +823.40254 16.0 +824.42174 428.0 +832.43074 683.0 +837.41892 115.0 +845.39468 47.0 +846.3866 22.0 +854.45161 33.0 +855.45614 27.0 +897.96265 170.0 +917.52428 91.0 +927.47511 105.0 +933.49339 16.0 +945.49867 316.0 +950.51197 16.0 +963.48736 272.0 +1002.50447 15.0 +1014.53597 43.0 +1015.55041 44.0 +1041.52123 19.0 +1059.52779 26.0 +1076.5674 26.0 +1105.55158 61.0 +1188.58985 41.0 +1189.59797 23.0 +1191.58729 38.0 +1192.59227 19.0 +1206.61846 30.0 +1207.60369 22.0 +1262.64162 28.0 +END IONS +BEGIN IONS +TITLE=Cmpd 64, +MSn(954.5001), 57.5 min +PEPMASS=954.50003000000004 +CHARGE=2+ +213.09808 16.0 +219.08385 13.0 +221.14535 12.0 +231.11115 14.0 +233.16967 25.0 +240.14442 10.0 +249.12172 16.0 +258.15709 24.0 +261.1683 47.0 +263.15515 10.0 +269.19385 10.0 +276.16364 22.0 +285.17 9.0 +295.16198 13.0 +296.14248 10.0 +306.14353 11.0 +314.14777 22.0 +316.21438 13.0 +318.18368 10.0 +328.21238 9.0 +344.21087 53.0 +352.22161 11.0 +362.21585 36.0 +363.23273 9.0 +374.13993 14.0 +377.22084 71.0 +378.22411 10.0 +387.22454 11.0 +397.20095 9.0 +424.73733 10.0 +428.94064 13.0 +443.20119 24.0 +456.30008 11.0 +457.23864 12.0 +458.23893 10.0 +461.20478 13.0 +463.27141 76.0 +470.25429 11.0 +471.23855 18.0 +474.23764 18.0 +475.22985 12.0 +477.21499 13.0 +481.29819 26.0 +482.28159 9.0 +488.30008 9.0 +490.28352 12.0 +491.27591 50.0 +492.25551 91.0 +496.28829 14.0 +499.2683 11.0 +500.26106 9.0 +503.28432 9.0 +506.27815 17.0 +508.27993 43.0 +509.92947 12.0 +511.3143 10.0 +517.24836 10.0 +518.28489 10.0 +520.28776 10.0 +521.25727 15.0 +521.38932 10.0 +533.26677 16.0 +535.30818 13.0 +536.27479 14.0 +538.26411 17.0 +540.2672 11.0 +542.22573 10.0 +549.28835 18.0 +550.19119 13.0 +551.26886 10.0 +553.27748 12.0 +554.29374 13.0 +555.34549 9.0 +556.28574 12.0 +558.2906 14.0 +561.26351 17.0 +562.27174 11.0 +565.29799 10.0 +566.33513 9.0 +569.27906 16.0 +570.30628 10.0 +571.28724 161.0 +576.17697 10.0 +577.31684 14.0 +578.36936 10.0 +579.33179 17.0 +580.31445 10.0 +581.29113 9.0 +583.32656 13.0 +584.29837 13.0 +584.43524 9.0 +586.29206 13.0 +587.29168 81.0 +588.3999 11.0 +589.30476 1379.0 +590.03477 9.0 +590.93343 10.0 +591.0834 9.0 +594.79191 18.0 +595.31022 14.0 +599.28923 21.0 +600.06131 9.0 +600.33243 75.0 +600.45759 11.0 +608.32427 35.0 +611.31136 23.0 +618.36437 151.0 +625.34444 10.0 +626.64862 10.0 +628.34554 21.0 +629.35612 17.0 +630.73264 10.0 +633.86621 10.0 +636.85608 9.0 +642.35845 10.0 +642.88507 14.0 +643.31586 15.0 +644.87886 9.0 +645.30871 14.0 +646.3609 302.0 +651.36924 12.0 +652.33356 22.0 +655.32869 12.0 +656.33449 19.0 +657.33188 16.0 +658.34832 16.0 +659.36681 9.0 +660.3756 10.0 +664.36413 9.0 +665.32657 10.0 +666.86255 10.0 +668.36522 11.0 +671.342 10.0 +673.40142 10.0 +674.34029 12.0 +675.34698 9.0 +682.88171 10.0 +684.35048 17.0 +686.36042 14.0 +689.41546 19.0 +690.40552 18.0 +691.34892 15.0 +699.35952 13.0 +700.35987 340.0 +701.10645 13.0 +702.39208 152.0 +703.16599 10.0 +705.39833 9.0 +706.40774 10.0 +709.38246 18.0 +710.38128 89.0 +712.3655 11.0 +717.39092 212.0 +721.18234 10.0 +721.34172 15.0 +723.90189 9.0 +726.2938 12.0 +730.35784 11.0 +733.39516 10.0 +738.23252 13.0 +756.44279 15.0 +756.94553 9.0 +757.44719 10.0 +760.44108 11.0 +764.88593 13.0 +769.92274 11.0 +771.42393 16.0 +773.89384 138.0 +781.37652 11.0 +785.42783 9.0 +794.43455 20.0 +800.44827 9.0 +803.44689 85.0 +811.40968 41.0 +815.9179 10.0 +820.51247 10.0 +821.48567 10.0 +823.4495 11.0 +824.42499 167.0 +832.42859 148.0 +836.93906 10.0 +850.12016 9.0 +868.42541 15.0 +887.45281 11.0 +895.97232 12.0 +896.94969 15.0 +897.96371 16.0 +898.44463 10.0 +898.95358 20.0 +900.54288 10.0 +907.4951 12.0 +909.49569 10.0 +909.79921 10.0 +917.51353 11.0 +920.45688 10.0 +929.51721 10.0 +945.50291 163.0 +947.01276 9.0 +948.5048 16.0 +949.50643 19.0 +951.56476 10.0 +952.54534 13.0 +953.50134 21.0 +953.99111 32.0 +954.50509 1261.0 +955.50251 479.0 +957.52479 20.0 +963.48247 111.0 +986.55486 10.0 +1062.03196 13.0 +1076.56845 33.0 +1077.58112 17.0 +1105.57513 11.0 +1180.03533 11.0 +1191.60081 22.0 +1192.59082 15.0 +1206.60767 17.0 +1207.62024 10.0 +1262.647 79.0 +1301.66155 12.0 +1319.69653 33.0 +1320.71934 16.0 +1400.70707 21.0 +1512.9991 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 65, +MSn(582.3406), 57.6 min +PEPMASS=582.34060999999997 +CHARGE=2+ +197.12423 118.0 +199.08062 55.0 +200.14829 119.0 +202.09564 13.0 +203.11089 103.0 +209.06998 10.0 +210.06137 10.0 +212.18872 20.0 +213.17467 242.0 +214.1386 251.0 +216.11269 273.0 +218.1586 394.0 +221.12941 9.0 +224.1157 16.0 +225.13301 33.0 +226.09607 209.0 +228.15008 10.0 +229.07382 10.0 +229.17058 14.0 +231.11167 450.0 +235.1147 11.0 +236.13145 14.0 +237.13379 20.0 +240.14948 11.0 +241.08652 10.0 +241.20787 20.0 +242.12436 14.0 +243.14622 58.0 +244.10506 758.0 +248.14504 13.0 +249.13869 88.0 +253.12823 16.0 +253.22316 11.0 +258.14143 11.0 +259.1188 36.0 +262.14439 16.0 +263.14817 13.0 +266.18241 10.0 +270.12765 14.0 +271.11112 11.0 +275.01937 11.0 +276.1494 11.0 +277.1338 70.0 +279.1666 12.0 +280.15538 13.0 +281.16386 21.0 +282.15904 17.0 +283.18259 11.0 +286.19126 37.0 +287.18335 10.0 +289.17453 12.0 +291.15015 14.0 +292.17313 12.0 +293.18061 20.0 +294.15976 19.0 +295.14559 59.0 +298.16011 140.0 +302.1594 18.0 +307.16214 16.0 +308.17312 77.0 +311.18062 44.0 +312.16907 88.0 +314.20951 17.0 +315.15613 50.0 +318.15722 90.0 +323.14462 37.0 +324.20102 13.0 +325.18944 10.0 +326.18896 565.0 +328.13089 15.0 +331.16651 17.0 +332.1771 14.0 +333.15614 18.0 +334.16866 11.0 +334.36796 11.0 +335.16236 9.0 +336.17262 54.0 +338.20291 14.0 +339.17885 75.0 +340.16981 132.0 +341.62275 10.0 +343.17817 105.0 +344.18891 210.0 +346.16023 69.0 +348.16644 59.0 +351.17669 70.0 +354.17896 90.0 +357.19241 436.0 +360.16588 61.0 +360.72959 10.0 +362.15729 16.0 +364.16135 15.0 +365.23134 835.0 +368.17348 24.0 +370.17673 10.0 +372.16606 22.0 +373.15518 31.0 +375.21156 19.0 +375.29121 15.0 +376.17096 46.0 +378.18056 304.0 +385.1844 15.0 +388.15669 22.0 +390.22515 17.0 +391.18024 44.0 +394.21984 20.0 +395.20541 22.0 +397.20195 25.0 +403.18296 15.0 +404.21684 23.0 +405.18958 85.0 +407.71007 10.0 +409.22875 38.0 +411.23367 105.0 +415.23032 9.0 +416.23223 10.0 +417.19576 10.0 +420.22179 15.0 +421.21359 20.0 +422.21515 23.0 +423.2043 201.0 +423.54755 10.0 +424.73334 15.0 +428.24434 28.0 +429.2297 66.0 +430.72735 9.0 +431.22095 49.0 +437.22031 196.0 +437.72711 10.0 +440.22479 525.0 +445.25226 13.0 +446.2336 17.0 +447.23821 33.0 +449.21399 198.0 +452.34633 10.0 +454.23195 25.0 +455.23403 235.0 +458.23862 652.0 +458.7434 21.0 +459.73896 89.0 +462.8451 11.0 +463.26593 120.0 +465.22423 122.0 +467.73945 42.0 +469.21359 49.0 +470.27537 11.0 +473.23416 164.0 +476.26575 405.0 +481.25246 33.0 +482.75645 12.0 +483.22739 173.0 +489.25755 44.0 +491.25943 149.0 +494.27965 861.0 +495.15705 15.0 +499.28197 24.0 +500.25843 20.0 +501.24559 58.0 +504.26611 29.0 +505.25027 29.0 +506.24283 34.0 +507.25282 69.0 +510.24209 33.0 +512.28837 19.0 +513.28469 14.0 +514.28755 20.0 +515.27679 27.0 +516.26041 131.0 +517.71741 11.0 +521.27261 29.0 +522.27335 63.0 +524.2563 156.0 +527.53953 12.0 +528.26356 77.0 +531.28926 48.0 +533.25282 180.0 +539.29115 93.0 +541.2795 307.0 +546.251 12.0 +547.27034 14.0 +549.26838 10.0 +550.28848 23.0 +551.28378 85.0 +552.25312 362.0 +557.29413 69.0 +559.2883 56.0 +560.2874 207.0 +566.30555 74.0 +566.52584 13.0 +569.27256 711.0 +574.31307 22.0 +575.2924 66.0 +577.30982 118.0 +580.25507 43.0 +582.26417 12.0 +584.28725 29.0 +585.28362 62.0 +587.29338 341.0 +592.32139 82.0 +595.3307 1468.0 +595.77397 15.0 +598.26652 36.0 +602.29179 100.0 +605.31725 85.0 +607.23246 9.0 +607.36253 10.0 +613.33576 13.0 +614.29494 13.0 +615.27962 10.0 +616.30033 13.0 +620.29401 144.0 +624.34169 34.0 +629.33717 13.0 +630.30089 10.0 +631.32591 15.0 +633.30189 21.0 +634.33094 21.0 +638.29093 16.0 +639.28391 13.0 +640.33058 21.0 +641.3295 44.0 +643.33507 10.0 +645.33446 11.0 +646.36679 11.0 +647.32101 19.0 +648.34575 13.0 +650.34953 15.0 +651.325 94.0 +653.79362 12.0 +656.31655 11.0 +657.33594 12.0 +658.32848 67.0 +663.28617 12.0 +668.34686 72.0 +671.33652 63.0 +673.31652 77.0 +679.318 13.0 +680.3354 11.0 +681.32361 30.0 +686.37022 68.0 +688.17774 10.0 +689.34245 57.0 +690.38437 116.0 +695.39076 13.0 +696.35264 10.0 +697.34923 13.0 +698.34043 12.0 +699.32763 101.0 +706.36557 58.0 +708.41861 817.0 +715.37673 12.0 +716.35232 49.0 +717.35338 97.0 +720.38563 16.0 +721.33946 13.0 +728.546 11.0 +732.35962 9.0 +734.36849 99.0 +741.24308 11.0 +743.36331 15.0 +745.32809 15.0 +746.36789 17.0 +751.37539 15.0 +752.35281 11.0 +760.38504 14.0 +770.37729 20.0 +771.38042 13.0 +773.2675 11.0 +777.56013 16.0 +787.38725 61.0 +789.3804 9.0 +798.40177 12.0 +803.43456 12.0 +805.40176 26.0 +816.41995 9.0 +819.45661 122.0 +824.02353 13.0 +829.43007 11.0 +837.47039 320.0 +847.451 80.0 +898.46945 21.0 +899.47787 10.0 +904.47266 10.0 +915.49724 15.0 +916.46483 17.0 +917.47851 22.0 +933.50829 23.0 +934.47163 109.0 +951.51295 493.0 +962.4756 33.0 +1033.54456 17.0 +1034.56672 17.0 +1050.58317 40.0 +1051.58504 23.0 +END IONS +BEGIN IONS +TITLE=Cmpd 66, +MSn(769.4337), 57.7 min +PEPMASS=769.43366000000003 +CHARGE=2+ +201.24583 14.0 +202.13262 12.0 +205.10905 21.0 +217.10684 15.0 +221.11695 18.0 +224.11505 15.0 +226.1171 14.0 +227.11222 11.0 +230.12624 11.0 +231.12185 15.0 +233.11176 10.0 +235.13689 18.0 +238.13139 18.0 +243.12648 12.0 +244.16764 38.0 +247.11855 56.0 +249.19799 13.0 +250.1825 19.0 +255.16149 16.0 +257.15757 10.0 +259.11541 14.0 +261.13522 10.0 +261.79454 11.0 +262.16567 18.0 +265.13195 54.0 +272.16826 71.0 +274.19869 225.0 +276.16093 18.0 +277.13962 16.0 +280.16443 14.0 +282.16954 11.0 +288.1523 55.0 +293.13093 44.0 +295.15928 22.0 +300.1683 372.0 +304.14498 16.0 +305.14403 14.0 +311.13154 16.0 +318.18517 10.0 +322.15566 12.0 +324.14115 12.0 +326.19778 16.0 +328.19693 10.0 +329.19243 39.0 +333.16668 16.0 +334.17512 11.0 +342.21529 13.0 +343.16865 16.0 +350.15117 76.0 +354.19717 11.0 +357.18594 43.0 +361.16406 22.0 +362.22894 16.0 +368.1727 23.0 +369.25987 12.0 +370.26483 15.0 +381.22286 11.0 +383.2221 11.0 +387.28299 97.0 +389.22996 15.0 +390.19264 16.0 +396.21267 13.0 +402.12953 12.0 +402.24226 11.0 +406.19487 19.0 +407.16567 48.0 +409.23632 12.0 +411.19575 11.0 +415.22198 15.0 +417.22445 47.0 +419.30402 11.0 +422.23846 11.0 +425.18197 11.0 +427.27326 11.0 +427.7584 31.0 +435.23332 124.0 +443.19258 24.0 +445.22652 12.0 +447.23652 10.0 +451.22304 26.0 +452.20099 61.0 +455.22049 19.0 +456.28614 11.0 +459.25562 27.0 +460.31175 14.0 +463.23314 51.0 +467.22802 13.0 +468.22522 27.0 +469.22471 38.0 +471.23926 11.0 +474.23802 25.0 +475.24477 92.0 +475.75598 38.0 +479.22515 93.0 +483.13154 13.0 +484.26143 13.0 +485.25429 59.0 +487.17352 13.0 +489.22004 17.0 +490.2788 15.0 +491.26123 25.0 +492.2636 106.0 +495.25307 11.0 +496.23837 107.0 +497.83876 11.0 +499.3566 14.0 +500.36858 393.0 +501.79947 34.0 +503.24257 50.0 +506.30647 11.0 +508.22908 68.0 +509.80583 94.0 +509.95394 18.0 +512.28102 48.0 +518.22867 32.0 +520.26262 77.0 +522.32757 20.0 +523.16076 13.0 +523.26735 16.0 +525.28407 11.0 +526.26069 49.0 +529.80619 23.0 +530.27178 18.0 +534.19469 12.0 +535.286 14.0 +536.23119 19.0 +536.43328 13.0 +537.29973 10.0 +538.27107 17.0 +538.41972 10.0 +542.27353 11.0 +543.10601 11.0 +545.26122 10.0 +547.62281 10.0 +548.37996 14.0 +549.31 13.0 +551.30001 11.0 +553.82196 11.0 +554.24991 85.0 +556.31087 12.0 +559.14232 18.0 +559.26086 17.0 +563.29568 13.0 +563.85406 17.0 +564.29199 73.0 +567.29697 12.0 +570.33469 52.0 +572.26681 59.0 +576.2577 65.0 +578.32698 28.0 +580.31624 67.0 +581.83942 12.0 +586.26209 15.0 +587.31891 37.0 +588.82974 21.0 +589.30448 116.0 +592.3251 20.0 +594.31571 60.0 +598.33349 105.0 +604.31147 14.0 +604.39864 13.0 +604.88225 14.0 +607.27853 32.0 +610.84239 20.0 +611.35364 79.0 +614.64298 13.0 +619.85451 59.0 +620.35431 115.0 +622.31549 101.0 +627.33725 27.0 +629.42498 287.0 +631.31573 18.0 +633.31276 22.0 +639.34963 64.0 +644.33756 23.0 +646.36497 12.0 +649.33163 55.0 +652.30228 10.0 +654.89057 11.0 +655.32991 14.0 +657.3407 26.0 +659.66391 12.0 +661.35521 32.0 +661.77161 12.0 +665.33432 20.0 +667.33562 24.0 +672.80418 11.0 +674.32239 43.0 +677.74202 10.0 +681.34249 20.0 +684.35698 32.0 +684.90355 14.0 +689.33456 52.0 +693.35775 21.0 +699.38669 16.0 +700.34882 11.0 +701.36226 29.0 +703.88504 14.0 +704.3913 13.0 +706.33648 26.0 +708.43183 29.0 +709.88676 23.0 +711.34915 17.0 +711.60432 11.0 +712.47512 11.0 +712.87459 15.0 +716.38789 31.0 +720.37254 33.0 +722.30988 21.0 +724.42926 29.0 +726.44197 58.0 +727.63793 18.0 +729.85287 13.0 +741.43236 15.0 +742.77024 12.0 +743.46541 652.0 +744.0544 11.0 +749.38804 22.0 +754.42331 17.0 +757.42364 16.0 +760.4218 69.0 +764.24988 14.0 +765.35848 12.0 +767.39276 15.0 +769.38985 12.0 +769.93299 17.0 +770.58999 16.0 +772.46576 11.0 +778.39208 11.0 +795.39205 29.0 +802.44342 45.0 +818.27026 12.0 +829.44119 17.0 +832.45034 11.0 +836.44882 11.0 +837.45951 36.0 +850.38794 15.0 +853.53719 44.0 +854.50952 184.0 +864.07762 16.0 +865.42365 10.0 +869.54645 13.0 +871.53404 663.0 +872.30469 13.0 +889.43316 21.0 +893.41292 12.0 +894.50054 11.0 +897.49828 11.0 +900.53432 34.0 +909.39526 11.0 +965.88678 15.0 +994.74386 15.0 +1002.59775 14.0 +1017.60301 11.0 +1018.60439 278.0 +1019.83232 19.0 +1021.46723 13.0 +1022.46876 11.0 +1039.48639 11.0 +1050.56947 15.0 +1057.59828 72.0 +1073.60104 11.0 +1075.62913 601.0 +1081.54468 13.0 +1090.665 18.0 +1222.66722 12.0 +1238.68472 65.0 +1239.70134 85.0 +1312.40877 11.0 +1409.71387 18.0 +2004.9331 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 67, +MSn(704.0350), 58.0 min +PEPMASS=704.03503000000001 +CHARGE=3+ +201.13233 96.0 +226.13367 44.0 +230.76267 51.0 +244.13067 48.0 +262.15235 216.0 +307.15827 46.0 +333.15858 41.0 +338.20145 41.0 +348.17376 85.0 +361.21955 73.0 +436.24059 68.0 +496.27899 46.0 +500.23032 63.0 +508.29237 330.0 +512.30254 108.0 +514.30191 48.0 +516.26145 50.0 +526.25227 112.0 +538.21744 98.0 +541.4439 55.0 +542.26046 51.0 +549.29464 58.0 +551.30711 108.0 +568.29142 63.0 +576.3123 402.0 +579.33286 562.0 +590.30941 89.0 +599.30249 215.0 +608.31045 905.0 +608.46366 74.0 +610.31081 285.0 +620.25235 66.0 +627.33313 57.0 +636.29756 200.0 +657.85871 67.0 +667.36529 212.0 +676.37752 141.0 +676.88626 71.0 +678.41189 242.0 +692.36148 68.0 +693.86274 58.0 +701.39466 77.0 +702.87276 83.0 +703.37124 138.0 +708.39293 57.0 +709.88737 57.0 +710.38283 175.0 +738.34282 88.0 +781.04186 47.0 +825.46895 258.0 +836.79746 47.0 +868.42444 115.0 +871.46984 296.0 +890.45417 38.0 +939.53474 241.0 +952.54192 36.0 +981.50058 63.0 +1068.58363 161.0 +1069.57264 72.0 +1082.56375 41.0 +1215.61362 155.0 +1215.81811 26.0 +1716.32046 13.0 +1976.97413 9.0 +END IONS +BEGIN IONS +TITLE=Cmpd 68, +MSn(740.4289), 58.0 min +PEPMASS=740.42889000000002 +CHARGE=2+ +202.09452 15.0 +205.11176 38.0 +217.1094 15.0 +221.11059 102.0 +226.10587 16.0 +227.19664 16.0 +228.15299 33.0 +238.13462 35.0 +243.12773 34.0 +244.1139 35.0 +244.16816 37.0 +245.11661 14.0 +247.12088 207.0 +255.14686 33.0 +257.17281 68.0 +259.11569 28.0 +261.16441 31.0 +265.13019 230.0 +271.18501 21.0 +272.1734 243.0 +274.19783 541.0 +275.1285 232.0 +287.12366 18.0 +288.14408 45.0 +289.15301 67.0 +293.13016 147.0 +295.1445 109.0 +298.23133 22.0 +299.18345 52.0 +300.16813 1255.0 +304.1376 178.0 +309.17656 15.0 +312.17624 34.0 +313.19264 15.0 +314.14926 72.0 +322.15246 86.0 +329.20923 17.0 +332.15559 158.0 +339.17301 15.0 +340.19047 24.0 +346.17576 23.0 +347.13451 14.0 +350.1491 293.0 +357.19847 65.0 +360.13415 20.0 +361.16608 33.0 +362.16379 28.0 +366.16708 17.0 +368.17243 116.0 +370.25384 31.0 +371.26314 17.0 +379.17543 19.0 +382.21835 23.0 +385.25505 29.0 +386.1925 32.0 +387.28469 592.0 +390.19591 26.0 +391.1886 20.0 +398.25587 100.0 +402.2159 114.0 +404.16847 16.0 +407.17107 124.0 +410.2157 65.0 +412.25532 30.0 +413.26636 22.0 +417.22961 50.0 +418.21378 96.0 +425.18098 19.0 +427.24217 24.0 +430.18467 21.0 +434.18154 17.0 +435.23971 209.0 +444.20313 19.0 +445.21323 35.0 +446.24045 29.0 +447.22701 74.0 +451.20901 178.0 +454.75938 15.0 +455.25843 16.0 +456.22348 27.0 +457.23556 19.0 +458.24731 53.0 +461.22394 59.0 +463.25439 172.0 +465.26359 22.0 +467.23687 30.0 +467.39427 19.0 +468.23107 47.0 +469.22935 75.0 +471.79035 22.0 +472.28427 205.0 +474.24983 98.0 +475.24431 211.0 +479.21667 125.0 +479.39264 19.0 +480.80226 193.0 +482.24593 15.0 +483.34116 47.0 +484.27737 28.0 +485.23534 17.0 +486.26093 35.0 +487.25246 20.0 +490.2409 29.0 +491.24455 34.0 +491.38239 22.0 +492.26781 263.0 +496.2422 190.0 +498.3604 63.0 +499.84167 23.0 +500.3715 1230.0 +500.81202 39.0 +500.98256 14.0 +501.23601 198.0 +504.27137 90.0 +507.2275 26.0 +508.23909 170.0 +509.82111 22.0 +510.29402 169.0 +515.27696 29.0 +517.2401 18.0 +518.25311 241.0 +520.25795 176.0 +523.3067 89.0 +525.25965 15.0 +526.25188 344.0 +534.31891 24.0 +535.32193 23.0 +536.23394 71.0 +537.28634 140.0 +540.30372 109.0 +544.34311 27.0 +546.29454 36.0 +547.28693 27.0 +548.29459 14.0 +549.28157 21.0 +550.30482 14.0 +552.30266 20.0 +553.28456 17.0 +554.25229 269.0 +554.38121 31.0 +560.30403 25.0 +561.28552 15.0 +564.28201 23.0 +565.28399 162.0 +567.35357 20.0 +568.29032 15.0 +569.33961 35.0 +570.38476 19.0 +571.41221 1553.0 +574.29257 134.0 +579.31164 27.0 +580.28007 20.0 +581.37345 40.0 +581.83891 20.0 +582.3389 191.0 +585.30033 15.0 +586.31024 163.0 +588.64786 15.0 +589.29342 71.0 +590.8465 506.0 +593.28427 204.0 +594.84916 19.0 +598.394 15.0 +600.31753 14.0 +601.30197 15.0 +601.41436 21.0 +603.33392 26.0 +604.32775 22.0 +605.3048 14.0 +606.26675 19.0 +607.29375 27.0 +608.26455 20.0 +609.32001 23.0 +610.29355 95.0 +613.30685 31.0 +614.31338 180.0 +619.29206 16.0 +620.29881 16.0 +621.32107 78.0 +622.31904 194.0 +627.30539 24.0 +629.34205 19.0 +631.33202 195.0 +636.32397 102.0 +637.85201 18.0 +639.3471 263.0 +649.32826 78.0 +651.39816 56.0 +657.857 18.0 +658.36797 17.0 +661.35479 17.0 +664.30023 156.0 +665.87061 21.0 +666.34677 131.0 +666.8771 27.0 +668.42525 260.0 +671.35337 21.0 +674.33077 20.0 +674.87853 30.0 +675.37797 45.0 +675.88435 21.0 +676.31778 20.0 +677.31923 15.0 +681.32155 37.0 +682.3122 60.0 +683.42578 109.0 +685.46011 3107.0 +694.35039 22.0 +695.42004 17.0 +696.42569 79.0 +699.40926 24.0 +701.4149 18.0 +705.3266 19.0 +709.39821 31.0 +710.37216 17.0 +718.38944 18.0 +721.33409 31.0 +722.38091 14.0 +722.91343 16.0 +723.32633 19.0 +726.41249 16.0 +727.41343 31.0 +730.41858 22.0 +731.42003 111.0 +740.44978 15.0 +743.36159 15.0 +744.42541 93.0 +749.39444 40.0 +750.36772 21.0 +767.39637 21.0 +768.41629 14.0 +775.3637 17.0 +777.38914 84.0 +779.46608 37.0 +780.45405 17.0 +792.35861 93.0 +794.43076 26.0 +795.50861 99.0 +796.4954 757.0 +803.47953 16.0 +805.08786 15.0 +811.50235 100.0 +813.52473 3245.0 +824.48317 157.0 +834.40865 15.0 +837.47245 14.0 +843.49452 23.0 +850.37873 28.0 +851.65288 15.0 +864.43222 20.0 +866.74414 16.0 +867.39509 21.0 +873.45988 16.0 +890.47841 21.0 +892.41137 20.0 +893.43167 19.0 +907.48515 23.0 +909.46276 18.0 +910.44399 16.0 +925.50151 37.0 +935.45065 22.0 +943.56126 105.0 +948.48944 25.0 +951.51366 23.0 +952.51554 24.0 +953.5075 15.0 +958.58773 28.0 +960.59725 1300.0 +963.45045 34.0 +964.46938 32.0 +965.49134 17.0 +980.48869 91.0 +1000.59813 244.0 +1015.60143 59.0 +1016.61324 65.0 +1017.62163 3508.0 +1028.59694 16.0 +1049.5547 14.0 +1163.68335 28.0 +1164.66228 20.0 +1178.67188 15.0 +1180.68573 701.0 +1309.72623 35.0 +1310.74226 16.0 +1311.73763 17.0 +1366.75884 121.0 +END IONS +BEGIN IONS +TITLE=Cmpd 69, +MSn(747.9232), 58.3 min +PEPMASS=747.92313999999999 +CHARGE=2+ +200.07638 13.0 +203.1531 21.0 +215.15071 18.0 +216.15115 17.0 +220.04251 13.0 +221.10484 35.0 +227.1064 16.0 +228.18685 14.0 +229.182 14.0 +235.14303 21.0 +238.12656 15.0 +239.09899 14.0 +241.20986 15.0 +243.14282 13.0 +247.12344 36.0 +250.19454 15.0 +255.14435 15.0 +257.17365 25.0 +259.12399 14.0 +262.14699 19.0 +265.1235 29.0 +272.17624 63.0 +272.29151 17.0 +273.12315 19.0 +274.20412 86.0 +275.12746 27.0 +276.16688 15.0 +277.14292 15.0 +281.12434 43.0 +286.13474 13.0 +288.15404 26.0 +291.12588 51.0 +295.14362 14.0 +296.13906 18.0 +298.14826 15.0 +299.16749 16.0 +300.17037 149.0 +305.15057 14.0 +307.16299 22.0 +310.19642 26.0 +320.1679 16.0 +323.1497 18.0 +326.19355 18.0 +327.22237 13.0 +329.19798 17.0 +332.176 52.0 +340.17454 17.0 +350.14481 40.0 +356.18284 17.0 +359.1687 16.0 +364.12605 17.0 +366.14459 19.0 +368.24062 18.0 +377.2048 15.0 +378.22179 13.0 +383.80607 25.0 +387.28855 88.0 +390.24744 19.0 +394.19293 17.0 +402.21006 53.0 +403.01965 15.0 +403.33491 25.0 +405.18699 20.0 +407.27077 21.0 +408.22035 14.0 +412.11348 19.0 +418.21675 13.0 +423.85773 14.0 +424.07447 13.0 +430.19372 16.0 +431.85616 13.0 +433.32846 14.0 +435.22883 49.0 +440.21727 28.0 +443.21823 27.0 +451.40004 13.0 +456.3299 19.0 +458.25645 44.0 +461.24008 40.0 +463.25263 36.0 +464.97847 15.0 +466.3134 12.0 +469.77935 13.0 +472.27891 14.0 +473.26204 13.0 +474.24277 25.0 +474.94262 17.0 +478.30614 16.0 +479.22228 16.0 +480.26854 62.0 +481.41834 272.0 +482.19793 39.0 +487.22752 43.0 +490.24841 21.0 +491.23331 23.0 +492.2471 43.0 +493.31454 24.0 +494.21049 60.0 +495.29599 18.0 +496.28287 25.0 +497.253 39.0 +498.18252 24.0 +500.37568 212.0 +503.27537 21.0 +505.24934 13.0 +508.2706 14.0 +509.59431 18.0 +512.24629 14.0 +513.25208 33.0 +514.52498 17.0 +515.40477 28.0 +516.2825 31.0 +517.24745 46.0 +518.8015 15.0 +520.23983 45.0 +520.81707 16.0 +522.30413 19.0 +523.25762 45.0 +523.99348 13.0 +527.26009 23.0 +530.30385 15.0 +531.08284 26.0 +531.81862 16.0 +532.32704 14.0 +533.56626 16.0 +535.25514 91.0 +539.30138 34.0 +542.25518 18.0 +543.25533 49.0 +548.34721 19.0 +549.28441 28.0 +553.29484 19.0 +554.24832 68.0 +557.20661 21.0 +563.26975 13.0 +564.89747 14.0 +565.27553 79.0 +565.95623 13.0 +569.30408 59.0 +569.4016 36.0 +571.4107 236.0 +572.31054 31.0 +574.29416 13.0 +575.27607 50.0 +581.3138 26.0 +582.76033 20.0 +583.82369 14.0 +584.30647 13.0 +586.28137 30.0 +588.37014 18.0 +589.3234 20.0 +590.28857 61.0 +593.11589 13.0 +595.27691 17.0 +598.47602 15.0 +598.84443 31.0 +601.31881 17.0 +602.85195 18.0 +603.34569 15.0 +606.27608 40.0 +608.3064 18.0 +609.30988 18.0 +609.91155 13.0 +610.28639 44.0 +613.89688 12.0 +614.3117 60.0 +618.32133 25.0 +621.33389 21.0 +622.26554 14.0 +623.28139 45.0 +626.29367 37.0 +631.33378 16.0 +633.25841 19.0 +636.33069 14.0 +639.31283 17.0 +642.33313 12.0 +647.32823 45.0 +652.37901 26.0 +652.87525 13.0 +656.99484 20.0 +658.37117 13.0 +658.4718 15.0 +661.38961 19.0 +663.33156 14.0 +664.32433 14.0 +665.33616 60.0 +666.60821 13.0 +667.41019 13.0 +668.42486 46.0 +670.55883 15.0 +674.87956 14.0 +675.21519 16.0 +678.39418 13.0 +679.28804 16.0 +680.32507 63.0 +680.43494 20.0 +683.33716 32.0 +683.43078 67.0 +685.30308 19.0 +685.46166 409.0 +686.61886 13.0 +688.31269 35.0 +690.60695 14.0 +691.92345 18.0 +697.36192 23.0 +700.3693 15.0 +701.45362 36.0 +702.57965 22.0 +707.3041 18.0 +721.34879 37.0 +724.30284 13.0 +725.45387 14.0 +733.40659 22.0 +737.30162 21.0 +739.42504 20.0 +742.41271 14.0 +745.42548 42.0 +747.42207 42.0 +751.43783 48.0 +752.66836 15.0 +765.37747 43.0 +777.38563 34.0 +779.38191 18.0 +783.37584 13.0 +793.37144 17.0 +794.46676 39.0 +796.32545 33.0 +796.49702 111.0 +799.73245 34.0 +809.36275 26.0 +811.4976 72.0 +813.52184 379.0 +814.68657 12.0 +816.35684 15.0 +825.49919 16.0 +827.49891 87.0 +837.45836 13.0 +856.42749 14.0 +882.40612 14.0 +882.54557 15.0 +891.46925 13.0 +900.53173 54.0 +904.47609 13.0 +909.42647 25.0 +919.47345 14.0 +943.54467 15.0 +951.51562 20.0 +958.58111 62.0 +960.58823 129.0 +961.77406 13.0 +965.21669 13.0 +974.52249 16.0 +976.59169 43.0 +981.46859 17.0 +984.50246 15.0 +996.4782 18.0 +999.59654 55.0 +1015.60021 34.0 +1016.62049 23.0 +1017.61955 364.0 +1033.61579 134.0 +1082.72414 13.0 +1088.59365 16.0 +1196.66997 23.0 +1257.53952 16.0 +END IONS +BEGIN IONS +TITLE=Cmpd 70, +MSn(490.7493), 58.3 min +PEPMASS=490.74934000000002 +CHARGE=2+ +215.14411 66.0 +217.10635 136.0 +237.14032 69.0 +244.17618 91.0 +247.12072 164.0 +257.16702 165.0 +265.13284 86.0 +271.18157 83.0 +274.20143 213.0 +282.15828 62.0 +293.11687 76.0 +297.1323 85.0 +298.23102 99.0 +299.17999 215.0 +305.12972 58.0 +314.15129 60.0 +333.16479 48.0 +350.1491 63.0 +368.16698 46.0 +370.26014 67.0 +387.28826 264.0 +402.21857 52.0 +407.17481 57.0 +410.22243 47.0 +411.20176 76.0 +457.22795 43.0 +475.24161 86.0 +487.23566 53.0 +500.37573 351.0 +508.23003 38.0 +571.4165 294.0 +589.28642 36.0 +642.42756 41.0 +668.43681 72.0 +685.4631 223.0 +796.47409 75.0 +813.51807 51.0 +1000.57629 14.0 +1465.37164 19.0 +END IONS +BEGIN IONS +TITLE=Cmpd 71, +MSn(556.2955), 58.4 min +PEPMASS=556.29555000000005 +CHARGE=2+ +198.09929 62.0 +203.14929 139.0 +205.10799 196.0 +221.10508 53.0 +225.1038 239.0 +243.12496 87.0 +247.11679 173.0 +252.11263 101.0 +255.14319 54.0 +276.14118 154.0 +283.27024 57.0 +289.17283 62.0 +297.13427 51.0 +300.17037 395.0 +304.14932 131.0 +323.15579 117.0 +333.14193 70.0 +350.15692 73.0 +357.17952 53.0 +363.20401 47.0 +365.20394 78.0 +366.392 48.0 +368.17299 85.0 +373.17654 80.0 +379.17548 58.0 +385.20422 122.0 +390.19242 61.0 +399.17816 78.0 +402.22351 137.0 +407.17229 99.0 +417.22601 117.0 +424.19566 60.0 +436.24104 49.0 +447.22376 78.0 +451.21455 77.0 +463.23072 95.0 +474.23074 182.0 +478.53713 56.0 +479.20498 77.0 +492.26639 187.0 +496.22315 82.0 +501.23933 111.0 +508.2619 52.0 +515.23556 76.0 +518.24332 174.0 +520.25358 135.0 +526.2356 67.0 +528.2754 73.0 +535.24488 47.0 +554.24261 146.0 +559.4574 46.0 +565.27775 108.0 +589.34487 63.0 +593.25213 63.0 +594.3093 51.0 +600.35146 43.0 +604.31411 46.0 +622.31401 55.0 +632.32807 48.0 +639.32771 77.0 +649.31965 85.0 +667.32997 69.0 +681.32228 113.0 +685.43418 42.0 +777.38322 72.0 +795.39907 29.0 +850.45332 36.0 +865.41591 24.0 +894.38051 24.0 +930.43517 23.0 +1046.78278 19.0 +1300.68411 11.0 +1565.22617 5.0 +1888.59725 5.0 +END IONS +BEGIN IONS +TITLE=Cmpd 72, +MSn(746.4109), 59.6 min +PEPMASS=746.41089999999997 +CHARGE=2+ +197.13973 16.0 +199.11956 309.0 +207.12545 65.0 +209.10631 27.0 +215.14993 21.0 +217.11651 40.0 +225.13275 15.0 +226.13109 188.0 +227.11584 866.0 +235.12014 99.0 +243.1513 91.0 +244.14191 158.0 +247.11842 40.0 +249.16998 36.0 +261.16832 475.0 +270.15718 35.0 +277.16768 90.0 +280.14015 18.0 +283.15695 4402.0 +283.58502 18.0 +283.67492 19.0 +288.14437 23.0 +295.16888 16.0 +297.16703 52.0 +298.15411 373.0 +311.1541 2307.0 +315.18068 108.0 +322.18677 31.0 +327.15524 113.0 +332.20608 405.0 +337.17445 22.0 +338.22215 22.0 +340.19906 1036.0 +349.17222 31.0 +350.15618 46.0 +356.23129 47.0 +357.22947 34.0 +360.16639 19.0 +366.21184 35.0 +379.19611 19.0 +382.19691 336.0 +390.24076 97.0 +393.23154 23.0 +398.18943 58.0 +399.18756 29.0 +409.24516 15.0 +411.23761 246.0 +425.29161 196.0 +435.27383 22.0 +440.23339 152.0 +443.21523 21.0 +450.25965 34.0 +451.26711 40.0 +453.28787 854.0 +456.19159 16.0 +457.25384 29.0 +458.24399 68.0 +460.2381 61.0 +461.23535 64.0 +462.26891 25.0 +463.23995 22.0 +466.24146 48.0 +467.22103 35.0 +468.229 43.0 +469.22952 17.0 +470.30586 28.0 +473.27701 18.0 +474.23399 17.0 +475.26645 70.0 +476.27485 21.0 +477.25802 60.0 +478.26122 251.0 +481.41125 31.0 +483.27095 46.0 +484.24995 24.0 +485.25948 53.0 +487.27095 28.0 +488.27299 16.0 +491.29496 34.0 +492.28844 17.0 +493.24918 22.0 +494.27091 17.0 +495.2785 2412.0 +496.64499 15.0 +500.24694 14.0 +501.28736 108.0 +503.27019 303.0 +508.29741 47.0 +509.29688 31.0 +510.2918 18.0 +511.24767 499.0 +512.81699 16.0 +519.29605 135.0 +524.32343 623.0 +529.2791 184.0 +534.3082 18.0 +535.26996 19.0 +537.27752 24.0 +538.29646 41.0 +539.26589 28.0 +543.32385 27.0 +545.30048 16.0 +546.30877 62.0 +546.80862 378.0 +550.34198 27.0 +551.30637 23.0 +552.3372 20.0 +553.30656 179.0 +554.8132 36.0 +555.81697 3464.0 +556.62617 16.0 +559.30801 29.0 +561.29135 21.0 +562.32408 16.0 +563.28708 26.0 +569.28543 31.0 +570.34027 25.0 +571.33522 211.0 +573.82311 17.0 +574.3071 282.0 +579.3351 66.0 +580.30444 45.0 +581.32151 41.0 +582.32013 27.0 +582.83304 18.0 +583.3124 17.0 +584.30538 32.0 +588.35836 747.0 +591.33603 314.0 +595.34304 22.0 +596.35322 56.0 +597.34951 45.0 +598.341 62.0 +599.35421 35.0 +600.34513 19.0 +601.38809 17.0 +605.30351 21.0 +608.29767 67.0 +609.31447 28.0 +614.34826 31.0 +615.36873 17.0 +616.35674 1161.0 +621.31996 27.0 +622.32001 25.0 +623.31351 85.0 +624.3331 260.0 +630.34588 15.0 +633.34204 18.0 +637.34754 25.0 +638.34504 44.0 +639.36388 14.0 +640.32752 58.0 +641.32402 128.0 +642.36175 346.0 +642.58058 17.0 +649.33652 15.0 +650.36272 19.0 +653.3696 19.0 +654.37952 31.0 +655.39363 17.0 +656.33468 15.0 +658.3469 3074.0 +664.37019 26.0 +665.37024 27.0 +666.34838 268.0 +671.36698 18.0 +672.38171 26.0 +674.35216 17.0 +676.35792 17.0 +678.37177 18.0 +682.37124 33.0 +685.44936 34.0 +687.39502 712.0 +692.36388 40.0 +693.38306 61.0 +694.38643 35.0 +695.3908 23.0 +697.38241 40.0 +703.37452 15.0 +706.40096 15.0 +707.39248 17.0 +708.37991 25.0 +709.38436 42.0 +710.39607 37.0 +713.39641 19.0 +721.38317 49.0 +722.38954 35.0 +725.40098 17.0 +734.40717 52.0 +735.3988 42.0 +736.41498 24.0 +737.38458 225.0 +745.42749 16.0 +749.41436 19.0 +751.42268 477.0 +758.43334 39.0 +759.44154 23.0 +760.43004 18.0 +761.40643 34.0 +762.42875 14.0 +763.41867 30.0 +769.4075 16.0 +771.43223 1665.0 +777.41575 25.0 +779.42656 596.0 +801.44144 31.0 +805.44084 68.0 +806.44747 35.0 +807.43335 16.0 +808.43354 19.0 +814.52416 16.0 +817.45079 15.0 +822.46588 242.0 +832.45312 29.0 +833.4531 19.0 +834.46151 33.0 +835.46236 16.0 +849.47906 16.0 +850.46474 550.0 +867.49633 48.0 +868.49392 23.0 +882.50846 18.0 +884.52019 1251.0 +893.51027 18.0 +894.49247 16.0 +919.48445 26.0 +921.50446 63.0 +922.5061 36.0 +923.51282 16.0 +947.48374 26.0 +948.48733 32.0 +949.49137 18.0 +952.54044 18.0 +964.51593 50.0 +965.50468 70.0 +966.51142 30.0 +967.50328 17.0 +982.53575 20.0 +983.54306 17.0 +995.55205 38.0 +996.5503 31.0 +997.54534 22.0 +1013.57072 595.0 +1036.53025 20.0 +1092.60995 104.0 +1108.61617 20.0 +1110.62667 1358.0 +1164.65121 19.0 +1165.64619 15.0 +1181.66478 502.0 +1344.72384 19.0 +END IONS +BEGIN IONS +TITLE=Cmpd 73, +MSn(754.4080), 59.7 min +PEPMASS=754.40804000000003 +CHARGE=2+ +195.12056 14.0 +197.13198 47.0 +199.12203 156.0 +201.12186 9.0 +207.12056 97.0 +213.09011 11.0 +213.16743 14.0 +215.14891 12.0 +216.10968 9.0 +217.10964 51.0 +220.07568 12.0 +221.04313 10.0 +223.11677 10.0 +225.1163 18.0 +226.04999 14.0 +226.13016 121.0 +227.11557 326.0 +235.12322 51.0 +239.12875 10.0 +242.10073 10.0 +243.15247 42.0 +244.14603 67.0 +247.12134 22.0 +249.16412 17.0 +251.11062 19.0 +254.13949 14.0 +257.19183 10.0 +261.16669 154.0 +265.13445 12.0 +266.13697 10.0 +270.15573 14.0 +273.16432 11.0 +274.2017 14.0 +275.11738 10.0 +277.16512 34.0 +280.14049 18.0 +282.13538 12.0 +283.15735 865.0 +288.14572 46.0 +292.13759 10.0 +293.16009 13.0 +294.18705 15.0 +295.161 12.0 +296.14922 15.0 +297.18269 15.0 +298.15232 74.0 +299.15077 435.0 +306.15449 25.0 +307.16597 35.0 +309.15924 14.0 +310.18796 11.0 +311.15156 581.0 +316.19158 13.0 +317.1788 12.0 +323.16955 11.0 +325.19442 147.0 +327.14866 242.0 +332.20537 169.0 +338.18543 30.0 +338.60606 10.0 +340.20098 335.0 +342.15379 14.0 +343.14674 18.0 +345.16559 10.0 +345.23302 11.0 +348.17988 12.0 +349.17322 13.0 +350.15722 13.0 +353.16859 19.0 +356.22665 15.0 +360.17145 15.0 +361.22535 19.0 +369.25845 14.0 +379.19089 10.0 +380.17099 25.0 +382.20591 66.0 +390.20028 13.0 +393.21934 11.0 +394.21199 10.0 +396.26249 16.0 +398.19393 74.0 +409.22637 11.0 +411.23539 90.0 +414.20422 11.0 +417.21412 11.0 +421.22876 10.0 +424.27341 97.0 +433.20716 11.0 +440.23432 58.0 +450.25618 23.0 +450.77383 64.0 +453.28652 243.0 +456.23197 89.0 +461.23864 61.0 +465.22339 10.0 +467.26011 12.0 +468.22761 15.0 +469.28028 14.0 +470.31586 17.0 +471.31909 10.0 +472.26606 17.0 +473.25775 9.0 +474.27214 13.0 +475.25271 45.0 +477.2515 34.0 +478.26433 84.0 +483.29487 11.0 +485.26497 13.0 +487.25771 44.0 +490.27168 117.0 +495.27515 681.0 +497.75668 26.0 +500.3266 12.0 +501.2708 135.0 +506.30476 18.0 +507.23492 10.0 +508.28438 61.0 +511.26895 254.0 +516.30775 12.0 +519.28255 36.0 +522.289 14.0 +524.32536 180.0 +526.20622 11.0 +527.28519 17.0 +528.2325 14.0 +529.27158 48.0 +530.4887 10.0 +533.77242 16.0 +535.27081 25.0 +535.71823 10.0 +537.2787 10.0 +538.22145 16.0 +539.28105 38.0 +540.80235 14.0 +541.33141 10.0 +543.30826 11.0 +545.29308 39.0 +546.29881 103.0 +548.31668 10.0 +549.30866 43.0 +553.2957 14.0 +554.80482 25.0 +555.31517 28.0 +555.81469 474.0 +558.30366 35.0 +560.2958 10.0 +562.29686 12.0 +562.80603 23.0 +563.31382 155.0 +563.44251 11.0 +563.81417 353.0 +567.3161 85.0 +572.31776 30.0 +574.30338 31.0 +575.32046 68.0 +579.31671 56.0 +582.3153 28.0 +583.33072 10.0 +585.33063 12.0 +586.3259 46.0 +587.93647 10.0 +588.34681 231.0 +591.83686 15.0 +592.3682 10.0 +593.27705 14.0 +594.3298 33.0 +595.33512 60.0 +598.33405 20.0 +599.33758 41.0 +602.31926 43.0 +604.3274 55.0 +608.29783 15.0 +610.32966 14.0 +611.32733 36.0 +614.34192 35.0 +616.35784 257.0 +619.32788 15.0 +622.29904 17.0 +623.30398 18.0 +624.32732 70.0 +631.34626 16.0 +632.33951 60.0 +637.33299 12.0 +638.34076 16.0 +639.32613 43.0 +641.34122 96.0 +647.37408 12.0 +649.37214 45.0 +651.25065 35.0 +652.34342 45.0 +655.33752 10.0 +656.32416 44.0 +658.34888 493.0 +663.32279 10.0 +663.63091 9.0 +664.348 10.0 +665.36616 10.0 +666.34636 30.0 +669.37544 9.0 +671.384 11.0 +674.34285 318.0 +683.35485 14.0 +685.39744 40.0 +685.80402 11.0 +687.39429 157.0 +688.90399 57.0 +692.37667 15.0 +693.38828 39.0 +696.33983 9.0 +697.23115 12.0 +697.35888 17.0 +698.9068 25.0 +700.35998 10.0 +702.43538 31.0 +703.40321 52.0 +706.913 220.0 +709.38039 35.0 +711.38808 24.0 +714.4078 11.0 +715.46163 15.0 +721.36607 51.0 +725.36523 24.0 +728.4201 13.0 +732.30907 10.0 +733.36775 13.0 +734.40282 16.0 +735.39143 15.0 +736.40269 14.0 +737.39341 52.0 +745.38712 10.0 +747.82442 12.0 +750.34836 30.0 +751.41039 111.0 +751.62032 10.0 +756.46675 66.0 +758.47528 11.0 +761.41394 16.0 +767.41683 89.0 +771.43441 269.0 +777.42326 33.0 +779.42586 124.0 +787.43133 169.0 +792.42952 12.0 +795.42564 59.0 +801.42541 11.0 +803.48711 18.0 +805.44929 13.0 +808.40583 12.0 +809.44458 10.0 +813.41163 11.0 +813.54029 14.0 +822.47183 46.0 +838.4652 13.0 +839.45712 10.0 +843.57543 10.0 +848.46153 15.0 +849.51846 10.0 +850.45817 66.0 +852.45473 9.0 +856.49355 10.0 +863.9094 12.0 +866.46804 79.0 +882.50597 36.0 +884.51988 185.0 +887.3569 10.0 +900.54038 379.0 +908.4865 10.0 +922.53264 10.0 +938.50998 9.0 +949.49084 11.0 +957.57406 12.0 +964.50087 12.0 +965.50423 12.0 +983.53526 12.0 +984.59507 10.0 +993.50661 88.0 +999.56848 12.0 +1001.60029 32.0 +1002.60548 27.0 +1013.56761 52.0 +1014.57415 25.0 +1029.58947 24.0 +1030.57492 27.0 +1088.63867 139.0 +1094.55302 14.0 +1108.60957 13.0 +1109.60981 20.0 +1110.62211 188.0 +1126.62107 147.0 +1181.66483 67.0 +1187.71644 33.0 +1188.70205 22.0 +1197.6542 24.0 +1198.67897 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 74, +MSn(582.3408), 59.8 min +PEPMASS=582.34076000000005 +CHARGE=2+ +196.11424 11.0 +197.13602 89.0 +198.12583 10.0 +199.07896 30.0 +200.15489 23.0 +201.12243 17.0 +203.11433 27.0 +204.12834 10.0 +205.03001 9.0 +205.11016 18.0 +209.06748 22.0 +213.17143 93.0 +214.13259 45.0 +215.14972 114.0 +216.116 193.0 +218.15742 208.0 +221.10782 9.0 +225.12887 40.0 +226.09411 130.0 +231.11308 224.0 +233.16842 9.0 +235.1269 19.0 +237.05842 9.0 +237.13185 15.0 +241.13322 18.0 +243.14822 44.0 +244.10584 426.0 +247.12307 19.0 +249.13577 70.0 +252.14008 12.0 +253.15545 51.0 +253.23811 11.0 +254.09671 18.0 +254.25117 10.0 +257.15934 10.0 +258.16514 11.0 +259.11405 31.0 +260.14738 22.0 +262.12925 14.0 +263.13715 14.0 +264.12669 12.0 +265.17294 10.0 +271.13558 21.0 +271.96103 9.0 +272.15483 9.0 +273.13082 13.0 +277.13376 69.0 +281.15351 12.0 +283.14514 24.0 +283.2769 16.0 +290.17123 14.0 +293.16004 61.0 +296.14446 9.0 +297.1336 10.0 +297.87434 10.0 +298.15776 79.0 +303.15101 9.0 +306.16753 12.0 +307.15082 40.0 +308.17205 129.0 +312.17012 61.0 +315.10465 9.0 +316.18515 12.0 +317.20747 17.0 +318.15729 20.0 +318.88709 9.0 +320.01094 9.0 +320.13578 11.0 +321.1701 19.0 +322.15175 16.0 +323.163 14.0 +325.18015 14.0 +326.18503 260.0 +327.6823 9.0 +329.18364 50.0 +332.16503 10.0 +334.15941 10.0 +335.15299 12.0 +336.14878 9.0 +337.19215 12.0 +338.13136 11.0 +339.17631 23.0 +340.16469 80.0 +343.17931 53.0 +344.18706 92.0 +346.18099 26.0 +348.16271 40.0 +349.09347 19.0 +350.17676 12.0 +351.10258 10.0 +351.19782 16.0 +353.16459 12.0 +354.17572 42.0 +354.33849 10.0 +357.19141 277.0 +359.81885 14.0 +360.16462 32.0 +364.1467 11.0 +365.23613 485.0 +365.66779 18.0 +368.23832 10.0 +370.38275 10.0 +371.162 15.0 +372.20117 10.0 +378.18245 153.0 +381.2003 9.0 +385.20583 14.0 +391.00964 11.0 +391.1976 9.0 +392.18963 15.0 +393.22971 33.0 +397.21202 12.0 +399.14321 10.0 +401.24666 11.0 +405.19568 10.0 +406.18512 24.0 +409.2191 12.0 +411.23844 55.0 +413.20227 15.0 +417.19783 19.0 +421.22625 18.0 +422.21962 27.0 +423.20368 94.0 +424.7416 13.0 +427.32964 9.0 +429.22413 26.0 +429.82604 24.0 +430.23612 24.0 +431.23712 53.0 +433.1948 14.0 +437.22921 34.0 +439.16537 25.0 +440.22238 326.0 +444.54851 9.0 +445.24571 18.0 +446.20724 16.0 +446.34312 14.0 +447.22961 10.0 +449.22044 96.0 +453.22527 10.0 +455.23887 154.0 +455.75873 9.0 +458.24083 223.0 +458.7783 9.0 +462.22892 91.0 +462.53119 13.0 +467.23321 21.0 +471.29452 10.0 +472.2122 14.0 +473.23849 93.0 +476.26438 168.0 +482.25695 13.0 +483.22784 118.0 +487.2319 25.0 +488.44817 12.0 +489.24541 16.0 +490.24543 13.0 +491.26674 80.0 +491.75658 9.0 +494.27648 406.0 +498.31178 13.0 +499.18673 10.0 +499.26497 54.0 +504.26428 51.0 +506.24913 24.0 +507.23754 55.0 +507.34882 9.0 +510.23797 23.0 +512.29024 12.0 +516.26559 14.0 +518.26056 55.0 +522.2812 59.0 +524.24967 95.0 +524.3946 14.0 +527.54466 11.0 +529.2752 12.0 +532.51991 11.0 +533.25893 100.0 +536.07798 15.0 +538.06355 11.0 +538.27604 12.0 +539.2914 50.0 +541.27707 174.0 +548.288 55.0 +551.27272 61.0 +552.25948 193.0 +557.30337 28.0 +559.27688 55.0 +561.16966 10.0 +562.29335 44.0 +566.27678 11.0 +567.28607 10.0 +568.28946 13.0 +569.27585 322.0 +574.27687 16.0 +575.28163 35.0 +577.30657 59.0 +580.27202 25.0 +581.46737 10.0 +584.29754 36.0 +586.26309 26.0 +587.29187 98.0 +590.0963 9.0 +591.33195 13.0 +593.2871 28.0 +595.3297 663.0 +599.25729 22.0 +600.33724 11.0 +601.29679 15.0 +602.29506 71.0 +605.31489 45.0 +607.34049 29.0 +613.28712 11.0 +615.29684 10.0 +620.31973 15.0 +621.29763 68.0 +625.33005 10.0 +629.28472 12.0 +630.31824 9.0 +638.27664 10.0 +641.33422 15.0 +646.36612 14.0 +650.33653 27.0 +653.30659 24.0 +655.36991 9.0 +656.28801 22.0 +659.33529 11.0 +659.68665 12.0 +660.35283 10.0 +662.08294 9.0 +664.33095 11.0 +669.3307 16.0 +671.72589 20.0 +672.34316 9.0 +673.3325 35.0 +676.33623 14.0 +680.36326 9.0 +686.34634 32.0 +688.35605 10.0 +689.34371 15.0 +690.39847 39.0 +691.38316 9.0 +692.32312 17.0 +699.34475 9.0 +706.36155 14.0 +708.41773 228.0 +715.47147 14.0 +716.34728 29.0 +718.42498 14.0 +732.46979 10.0 +734.36874 36.0 +741.42254 12.0 +752.3583 14.0 +753.30741 12.0 +770.36517 28.0 +788.40432 14.0 +801.43294 14.0 +807.39444 9.0 +819.46275 52.0 +837.46556 118.0 +841.03036 9.0 +847.46946 35.0 +855.75535 16.0 +881.1289 9.0 +895.54815 14.0 +916.49203 9.0 +934.49023 47.0 +951.51281 121.0 +961.50149 10.0 +962.48144 11.0 +1207.05301 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 75, +MSn(765.9118), 59.8 min +PEPMASS=765.91179999999997 +CHARGE=2+ +199.11747 71.0 +227.11892 55.0 +244.13993 62.0 +261.16776 60.0 +274.20147 55.0 +283.15737 500.0 +298.15097 66.0 +299.15655 190.0 +311.14867 197.0 +322.17487 57.0 +322.85222 64.0 +332.20611 55.0 +340.19687 107.0 +350.1546 113.0 +382.19832 56.0 +387.28669 63.0 +394.21411 46.0 +427.1941 45.0 +453.288 121.0 +477.22685 45.0 +495.27692 418.0 +498.32609 46.0 +500.37919 56.0 +503.26674 53.0 +506.30471 55.0 +511.26596 64.0 +513.22079 46.0 +524.33258 44.0 +536.30117 44.0 +555.81177 163.0 +575.81748 44.0 +577.8255 82.0 +587.21634 46.0 +588.35114 106.0 +616.35197 96.0 +658.34875 238.0 +682.36214 95.0 +685.45917 54.0 +687.3916 56.0 +697.36514 41.0 +702.34199 43.0 +705.34488 49.0 +709.40286 51.0 +743.47024 93.0 +771.43183 69.0 +779.40848 39.0 +803.42662 47.0 +871.5431 45.0 +884.52473 133.0 +900.55602 29.0 +914.01222 39.0 +927.53803 31.0 +1006.70822 27.0 +1013.56389 54.0 +1018.63093 31.0 +1075.62883 67.0 +1110.61627 90.0 +1181.68008 42.0 +1257.55863 32.0 +1400.96645 9.0 +1576.50617 20.0 +1690.75026 22.0 +1896.84253 32.0 +END IONS +BEGIN IONS +TITLE=Cmpd 76, +MSn(708.3745), 59.9 min +PEPMASS=708.37454000000002 +CHARGE=2+ +195.10691 12.0 +201.13267 102.0 +202.13694 9.0 +209.10729 12.0 +211.11624 52.0 +213.16432 13.0 +215.14679 15.0 +217.10973 12.0 +219.13675 49.0 +221.11714 30.0 +222.14779 10.0 +226.12185 44.0 +231.11039 15.0 +233.16628 9.0 +234.1308 44.0 +239.13287 25.0 +241.12713 9.0 +244.12727 91.0 +246.14962 10.0 +247.14785 33.0 +249.10441 71.0 +251.17196 9.0 +252.14271 10.0 +259.08483 73.0 +262.15007 276.0 +266.16367 21.0 +267.15819 10.0 +271.13695 11.0 +272.12487 18.0 +274.15893 11.0 +275.12424 23.0 +277.09892 178.0 +282.09359 14.0 +283.20188 11.0 +284.17423 27.0 +289.1461 19.0 +290.14952 18.0 +291.19364 11.0 +299.14383 18.0 +300.16844 10.0 +302.12313 16.0 +307.15611 148.0 +309.14379 10.0 +312.16448 14.0 +316.17479 11.0 +318.19119 98.0 +320.17686 50.0 +324.16188 9.0 +327.13744 49.0 +329.17505 10.0 +330.16104 13.0 +332.16709 11.0 +333.19921 13.0 +334.19543 10.0 +335.19469 8.0 +338.19055 94.0 +342.27841 10.0 +343.19534 13.0 +344.18685 10.0 +345.16616 12.0 +346.17452 17.0 +348.17268 70.0 +352.21727 10.0 +357.17604 8.0 +359.18124 13.0 +361.21363 237.0 +369.17492 10.0 +373.15248 68.0 +385.18365 9.0 +389.17629 10.0 +391.15889 121.0 +394.15372 9.0 +395.21524 14.0 +399.19942 11.0 +401.16351 20.0 +404.17231 9.0 +413.22225 13.0 +415.21329 26.0 +417.1876 10.0 +417.26836 11.0 +418.19625 9.0 +419.19872 9.0 +420.23087 62.0 +422.22986 9.0 +427.21452 14.0 +429.22033 14.0 +431.20553 8.0 +432.23581 112.0 +436.23407 12.0 +438.26445 15.0 +439.24734 70.0 +444.2485 17.0 +445.20498 61.0 +449.20967 19.0 +456.20881 16.0 +457.19363 19.0 +458.23045 8.0 +460.24647 9.0 +461.22127 10.0 +462.234 19.0 +463.2469 36.0 +465.26532 38.0 +468.24191 11.0 +470.13718 11.0 +471.27612 12.0 +472.23399 80.0 +474.22315 130.0 +475.75776 29.0 +477.20797 29.0 +480.25246 10.0 +481.28332 20.0 +482.23065 55.0 +486.28209 11.0 +488.21216 10.0 +489.25151 12.0 +490.23979 138.0 +495.27314 12.0 +496.28974 12.0 +498.27016 10.0 +499.26964 25.0 +500.22356 102.0 +504.28512 9.0 +506.31583 40.0 +508.29511 561.0 +510.23074 125.0 +510.4513 9.0 +513.29647 9.0 +515.27177 18.0 +516.24539 107.0 +521.19729 28.0 +523.25975 11.0 +524.32625 15.0 +525.33981 10.0 +526.24768 19.0 +527.26772 33.0 +528.26393 144.0 +530.80009 9.0 +533.2904 25.0 +534.31195 132.0 +538.2179 252.0 +539.78787 26.0 +540.77455 8.0 +543.2787 44.0 +544.26664 182.0 +549.29414 110.0 +552.32645 101.0 +555.26431 13.0 +556.263 88.0 +558.7971 9.0 +561.29438 58.0 +562.28874 148.0 +567.80338 15.0 +568.30683 30.0 +571.26999 43.0 +571.40137 9.0 +573.26619 140.0 +576.30958 142.0 +577.82296 9.0 +578.34441 9.0 +579.333 935.0 +584.29129 13.0 +585.32311 9.0 +589.29738 94.0 +590.80005 25.0 +592.28276 111.0 +592.47909 8.0 +598.31213 9.0 +599.29753 54.0 +599.80067 24.0 +601.30837 168.0 +603.27166 9.0 +607.31438 34.0 +608.82148 9.0 +609.29752 127.0 +610.82349 29.0 +615.30847 14.0 +616.30844 68.0 +620.27637 45.0 +624.35519 10.0 +625.30287 16.0 +625.85402 9.0 +626.33584 32.0 +627.3119 91.0 +631.29833 14.0 +632.35246 9.0 +633.36726 10.0 +636.33215 9.0 +637.29304 71.0 +639.2938 10.0 +641.2967 13.0 +644.32032 155.0 +650.37442 12.0 +651.36302 9.0 +653.33884 34.0 +656.33942 37.0 +658.33322 10.0 +660.36626 33.0 +663.31834 100.0 +670.35001 9.0 +671.33679 71.0 +674.34049 33.0 +675.34327 61.0 +676.89564 11.0 +678.40048 454.0 +683.3537 11.0 +684.34525 11.0 +684.85379 8.0 +688.38295 14.0 +690.34975 23.0 +691.32919 126.0 +695.32789 9.0 +697.36565 12.0 +699.3924 38.0 +702.37734 9.0 +703.30047 12.0 +705.31293 9.0 +706.39676 9.0 +708.34768 114.0 +710.88132 9.0 +712.35209 10.0 +712.5016 9.0 +717.34574 8.0 +719.32883 29.0 +721.3361 113.0 +727.38295 10.0 +728.37462 10.0 +737.36978 9.0 +738.34913 42.0 +740.34754 9.0 +744.39846 9.0 +746.41144 14.0 +749.41444 10.0 +755.37717 34.0 +757.44348 10.0 +763.4118 12.0 +772.41019 13.0 +773.39711 11.0 +774.39095 46.0 +782.37289 30.0 +789.42291 8.0 +791.39067 79.0 +800.40139 13.0 +801.37951 10.0 +802.36477 12.0 +807.41091 14.0 +810.39107 18.0 +819.39158 26.0 +825.48012 197.0 +828.47291 10.0 +837.407 10.0 +838.39414 32.0 +844.44984 19.0 +855.40305 10.0 +856.41679 14.0 +868.42672 128.0 +873.46046 9.0 +874.45035 9.0 +890.47659 11.0 +895.46996 12.0 +914.46406 9.0 +920.94203 9.0 +922.50902 27.0 +939.53436 123.0 +952.49811 9.0 +973.51236 9.0 +981.51634 38.0 +982.50385 68.0 +991.53775 11.0 +1000.50345 15.0 +1001.53426 10.0 +1050.55936 16.0 +1051.54577 14.0 +1068.57039 46.0 +1069.57338 34.0 +1070.5837 10.0 +1078.56421 13.0 +1079.55567 17.0 +1082.5595 66.0 +1124.60185 8.0 +1151.61188 69.0 +1215.6249 19.0 +1216.6191 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 77, +MSn(761.9053), 59.9 min +PEPMASS=761.90535 +CHARGE=2+ +227.12031 141.0 +244.15666 53.0 +261.16853 104.0 +283.15308 355.0 +298.1565 204.0 +311.15381 182.0 +327.14451 144.0 +332.19369 44.0 +339.1818 147.0 +357.23412 46.0 +453.2923 68.0 +472.79168 62.0 +478.23904 44.0 +482.31676 42.0 +495.27895 223.0 +504.23802 55.0 +509.33359 41.0 +524.31866 56.0 +555.80593 65.0 +556.31043 73.0 +563.80727 46.0 +574.30034 58.0 +575.8331 57.0 +577.34019 48.0 +588.3643 126.0 +595.31441 59.0 +614.33173 66.0 +617.3597 59.0 +621.36737 45.0 +632.25627 55.0 +641.31216 65.0 +658.34471 277.0 +674.34164 119.0 +680.36577 67.0 +688.38984 41.0 +703.37679 43.0 +734.39451 34.0 +760.42095 34.0 +771.41385 35.0 +778.40152 84.0 +787.43846 76.0 +888.7206 48.0 +901.51551 38.0 +945.86473 37.0 +1006.46642 32.0 +1013.56487 51.0 +1108.61301 27.0 +1110.62364 44.0 +1182.6605 29.0 +1243.0596 35.0 +1496.97041 10.0 +1821.77208 14.0 +1906.87875 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 78, +MSn(495.2740), 60.0 min +PEPMASS=495.27402999999998 +CHARGE=1+ +199.11751 500.0 +207.12078 186.0 +209.1044 218.0 +215.14985 116.0 +226.13208 431.0 +227.11427 996.0 +235.11846 106.0 +243.14777 161.0 +244.13966 304.0 +247.11816 130.0 +249.17274 242.0 +254.12617 137.0 +259.15121 75.0 +261.16912 590.0 +274.12812 114.0 +277.16573 208.0 +283.15831 1005.0 +293.12769 70.0 +297.16875 82.0 +298.1502 216.0 +299.15243 546.0 +311.15367 444.0 +315.17632 97.0 +327.1516 221.0 +332.20089 219.0 +334.15258 60.0 +340.19539 380.0 +349.16473 51.0 +351.21978 166.0 +359.23706 51.0 +374.19306 88.0 +382.19973 159.0 +401.63698 53.0 +411.2342 49.0 +453.28753 78.0 +461.21935 41.0 +466.22445 63.0 +477.2694 42.0 +495.273 250.0 +500.38112 60.0 +509.25551 45.0 +513.21964 40.0 +530.32569 42.0 +563.27704 46.0 +658.35696 94.0 +771.42716 43.0 +971.42012 42.0 +1174.64284 7.0 +1475.85584 7.0 +1596.74157 5.0 +END IONS +BEGIN IONS +TITLE=Cmpd 79, +MSn(740.4269), 60.5 min +PEPMASS=740.42696000000001 +CHARGE=2+ +197.13572 10.0 +199.11806 55.0 +201.12953 14.0 +202.09884 12.0 +203.09271 10.0 +205.10894 14.0 +207.12942 15.0 +209.10624 12.0 +217.11172 19.0 +221.11175 19.0 +225.11623 13.0 +226.12507 31.0 +227.11533 174.0 +235.12481 23.0 +237.14169 12.0 +238.14795 12.0 +243.11802 15.0 +244.14439 40.0 +247.12106 81.0 +249.16916 24.0 +252.18268 10.0 +253.12921 10.0 +255.15315 23.0 +257.17429 35.0 +259.13297 13.0 +260.1215 11.0 +261.16545 133.0 +265.12909 88.0 +268.14797 30.0 +271.20621 13.0 +272.16946 64.0 +274.19815 149.0 +275.12907 19.0 +276.15443 68.0 +279.12747 11.0 +280.13137 13.0 +282.15032 17.0 +283.15709 632.0 +287.11119 14.0 +289.15113 34.0 +293.13202 34.0 +295.15885 17.0 +296.15447 47.0 +298.15403 83.0 +299.58434 10.0 +300.16803 363.0 +304.13405 62.0 +311.15303 280.0 +315.18305 13.0 +318.19342 17.0 +322.15801 16.0 +323.15321 18.0 +327.14394 14.0 +332.19603 87.0 +338.2055 34.0 +340.1987 158.0 +349.16616 13.0 +350.14795 78.0 +354.19869 13.0 +356.22456 10.0 +357.19342 19.0 +361.22163 12.0 +366.21875 10.0 +368.18353 18.0 +369.18089 14.0 +370.16211 10.0 +371.19318 12.0 +375.23643 11.0 +379.17172 11.0 +382.20087 21.0 +383.20104 20.0 +385.22267 13.0 +385.81629 12.0 +387.28469 157.0 +389.17613 45.0 +389.23529 15.0 +395.22354 16.0 +398.20394 36.0 +398.75776 10.0 +402.20644 37.0 +407.17987 28.0 +407.2605 28.0 +410.23261 23.0 +411.24326 22.0 +413.2684 12.0 +414.19559 10.0 +417.23407 24.0 +418.21711 51.0 +425.20134 19.0 +425.29436 19.0 +427.24184 23.0 +429.22599 12.0 +434.19802 13.0 +435.2453 45.0 +440.24583 14.0 +441.22452 14.0 +443.21024 16.0 +447.23129 22.0 +450.2539 19.0 +451.23554 12.0 +452.20777 19.0 +453.27921 152.0 +458.25161 17.0 +459.2507 12.0 +460.24259 20.0 +461.23571 41.0 +463.24246 82.0 +467.24446 34.0 +469.22433 24.0 +471.29365 13.0 +472.27787 15.0 +472.76736 37.0 +474.24913 30.0 +475.24726 57.0 +478.23823 119.0 +480.78643 52.0 +483.25934 87.0 +488.28427 12.0 +489.26438 10.0 +491.26998 20.0 +492.25724 86.0 +495.2754 378.0 +500.37228 351.0 +500.79287 16.0 +502.24883 11.0 +503.26787 91.0 +508.2659 50.0 +510.28051 24.0 +511.24696 81.0 +516.31383 16.0 +518.25097 84.0 +520.26596 102.0 +522.29878 52.0 +524.32404 126.0 +526.25465 31.0 +526.77471 10.0 +527.37007 12.0 +528.26213 11.0 +529.27307 64.0 +532.76316 11.0 +533.28521 11.0 +534.12987 11.0 +534.26621 14.0 +535.29386 10.0 +536.27249 31.0 +538.29589 99.0 +544.27931 20.0 +546.29363 28.0 +546.80785 13.0 +547.29264 63.0 +551.28421 75.0 +555.81388 241.0 +558.29719 17.0 +560.28215 12.0 +560.78383 11.0 +562.24339 14.0 +563.319 11.0 +564.30585 12.0 +565.27064 21.0 +569.29501 27.0 +569.3863 18.0 +571.4077 396.0 +573.26752 11.0 +573.80835 13.0 +574.30714 33.0 +574.46571 11.0 +579.31928 86.0 +582.82443 14.0 +583.37563 10.0 +586.31773 39.0 +588.34091 112.0 +590.84459 152.0 +593.26083 17.0 +594.31252 16.0 +595.33183 45.0 +599.35007 11.0 +602.32819 32.0 +603.79353 10.0 +606.31795 15.0 +607.31607 17.0 +608.29063 44.0 +614.32431 69.0 +616.35107 157.0 +621.32781 101.0 +628.32332 10.0 +629.33022 16.0 +630.34634 10.0 +631.33808 68.0 +636.35655 40.0 +638.85509 12.0 +639.33582 74.0 +642.35317 52.0 +647.23913 13.0 +648.33846 10.0 +649.32566 22.0 +651.29891 11.0 +652.40008 11.0 +652.86594 11.0 +656.31356 11.0 +657.38517 18.0 +658.34763 328.0 +664.29664 34.0 +666.33483 59.0 +666.86842 12.0 +668.42816 52.0 +672.41238 16.0 +674.87347 11.0 +675.37921 16.0 +679.31529 17.0 +681.32845 51.0 +682.61015 10.0 +683.41875 35.0 +685.45574 785.0 +689.32273 18.0 +691.3601 13.0 +692.36301 35.0 +696.43716 21.0 +697.35524 26.0 +701.34854 14.0 +705.35172 23.0 +709.37668 11.0 +712.41008 11.0 +715.45115 11.0 +715.88454 14.0 +719.32803 10.0 +720.36755 10.0 +721.35846 29.0 +723.67936 12.0 +724.3568 14.0 +726.47694 11.0 +733.41591 11.0 +734.39648 84.0 +737.38414 44.0 +739.38367 15.0 +741.60991 11.0 +743.23306 10.0 +744.43243 15.0 +745.45762 10.0 +745.88236 10.0 +747.40828 11.0 +751.42251 65.0 +752.63446 11.0 +754.40567 46.0 +761.37185 18.0 +771.44036 139.0 +774.40067 11.0 +775.35624 11.0 +777.39217 44.0 +779.42339 68.0 +786.86569 12.0 +792.3878 58.0 +796.49917 150.0 +802.44523 12.0 +802.61019 10.0 +804.42775 14.0 +805.45252 32.0 +811.54041 11.0 +812.48763 10.0 +813.52355 787.0 +822.4652 24.0 +824.50392 36.0 +828.45093 11.0 +832.41914 12.0 +850.45835 65.0 +867.5042 11.0 +883.46706 10.0 +884.51718 135.0 +909.52554 10.0 +943.57864 18.0 +948.50012 12.0 +960.59601 328.0 +963.44546 11.0 +965.47793 19.0 +973.44988 14.0 +981.5046 14.0 +1000.58705 27.0 +1001.63436 18.0 +1011.54638 12.0 +1013.57681 76.0 +1017.24985 11.0 +1017.62227 803.0 +1019.91235 11.0 +1034.71664 13.0 +1093.58348 21.0 +1110.62111 95.0 +1111.62062 44.0 +1180.68191 170.0 +1366.757 49.0 +END IONS +BEGIN IONS +TITLE=Cmpd 80, +MSn(671.3723), 60.8 min +PEPMASS=671.37228000000005 +CHARGE=2+ +196.07946 14.0 +199.08975 16.0 +200.11197 11.0 +200.18133 15.0 +201.1336 220.0 +204.14681 165.0 +206.44656 12.0 +213.16223 23.0 +216.11125 21.0 +221.16578 16.0 +224.12002 15.0 +224.17523 12.0 +226.1216 17.0 +227.11852 38.0 +233.11925 105.0 +235.22012 11.0 +239.12859 28.0 +244.11096 40.0 +251.12825 14.0 +251.20307 12.0 +253.81787 30.0 +258.15494 14.0 +259.17507 13.0 +261.11382 196.0 +272.07831 36.0 +274.10714 12.0 +275.18955 12.0 +284.26734 16.0 +287.15438 65.0 +297.24707 12.0 +299.15308 16.0 +303.21214 129.0 +312.17169 11.0 +318.19047 64.0 +320.15041 27.0 +327.14214 26.0 +330.93944 18.0 +332.08273 11.0 +333.17086 39.0 +336.19072 18.0 +337.94034 11.0 +340.1225 11.0 +341.15484 25.0 +343.15555 14.0 +343.28243 12.0 +345.15636 39.0 +347.62408 17.0 +355.17654 17.0 +359.18607 11.0 +360.16288 14.0 +361.19638 54.0 +373.16617 51.0 +375.14483 118.0 +381.18225 38.0 +384.25504 13.0 +384.62022 21.0 +386.23085 28.0 +389.17757 13.0 +389.26051 15.0 +391.17497 22.0 +392.18001 21.0 +396.12217 13.0 +398.18461 11.0 +399.21237 34.0 +404.17351 11.0 +409.17858 13.0 +409.2806 13.0 +412.99793 17.0 +413.16926 14.0 +414.28759 12.0 +416.70051 15.0 +417.26437 12.0 +419.18463 36.0 +419.92298 20.0 +422.2257 12.0 +427.21545 14.0 +429.19954 21.0 +432.23432 56.0 +439.25223 23.0 +441.96822 14.0 +442.27614 17.0 +444.23527 22.0 +445.23296 82.0 +446.7627 32.0 +447.17448 19.0 +449.2491 14.0 +450.28914 361.0 +450.90481 11.0 +451.98364 16.0 +455.23079 11.0 +457.23197 15.0 +458.24911 44.0 +460.26338 25.0 +462.23141 20.0 +463.23487 15.0 +465.26063 41.0 +465.37821 12.0 +467.27205 16.0 +470.25021 20.0 +472.23228 185.0 +476.29046 17.0 +476.70015 37.0 +478.21684 65.0 +478.3736 15.0 +486.19969 20.0 +487.28088 38.0 +490.23942 96.0 +490.58856 13.0 +493.24517 34.0 +494.22116 80.0 +496.19744 32.0 +497.25889 11.0 +498.34295 21.0 +500.24632 36.0 +501.00268 11.0 +503.25801 17.0 +505.2566 21.0 +506.17579 16.0 +507.23287 18.0 +508.31749 12.0 +512.24041 27.0 +515.2557 66.0 +520.31444 15.0 +521.32621 585.0 +521.65002 19.0 +522.22877 187.0 +522.51465 12.0 +523.71207 14.0 +525.91577 12.0 +526.25386 44.0 +528.28088 34.0 +528.3788 13.0 +531.30695 13.0 +531.6644 13.0 +532.26227 13.0 +533.30441 15.0 +534.31289 88.0 +538.25702 73.0 +542.77711 12.0 +543.27275 53.0 +544.25737 62.0 +545.2628 91.0 +547.80386 19.0 +548.29285 18.0 +549.29234 14.0 +550.30123 22.0 +551.32152 56.0 +551.67227 13.0 +555.27345 43.0 +556.8794 14.0 +558.25453 52.0 +561.28268 56.0 +561.80943 11.0 +562.28544 90.0 +563.41978 12.0 +564.3078 43.0 +570.32691 19.0 +571.76024 25.0 +572.2746 57.0 +572.95639 14.0 +575.26428 94.0 +578.37649 15.0 +579.30705 143.0 +587.25882 18.0 +589.35378 17.0 +590.27387 27.0 +591.83778 19.0 +592.30336 29.0 +593.29418 85.0 +595.14565 18.0 +595.27709 29.0 +599.842 30.0 +600.18579 11.0 +600.30185 13.0 +601.80027 13.0 +602.33076 32.0 +602.41347 12.0 +604.26803 17.0 +605.24443 55.0 +607.41693 21.0 +607.81073 22.0 +610.30213 25.0 +614.84583 12.0 +615.33502 15.0 +616.29137 17.0 +616.40348 18.0 +618.82047 15.0 +619.31911 12.0 +620.40097 193.0 +621.07821 11.0 +621.29638 124.0 +624.28401 14.0 +627.29815 12.0 +629.28932 31.0 +632.36625 39.0 +633.88976 30.0 +634.30012 17.0 +634.49612 12.0 +636.30369 13.0 +636.86136 13.0 +637.37103 19.0 +641.31415 20.0 +643.12737 14.0 +645.99601 11.0 +646.39031 13.0 +647.31825 56.0 +650.36916 14.0 +653.37012 11.0 +657.20705 20.0 +657.36717 22.0 +661.35813 29.0 +663.33499 86.0 +664.81598 11.0 +665.39698 17.0 +669.29372 46.0 +670.5166 25.0 +671.67398 14.0 +673.34451 41.0 +675.31355 76.0 +678.36524 43.0 +679.50261 14.0 +680.3646 48.0 +684.192 19.0 +687.31035 19.0 +690.34127 22.0 +691.34446 47.0 +691.89159 11.0 +692.33286 160.0 +693.49945 12.0 +695.93924 11.0 +704.34008 20.0 +705.33355 62.0 +708.35139 129.0 +718.35961 19.0 +720.36388 11.0 +722.31343 19.0 +724.34401 32.0 +728.75892 11.0 +729.36189 15.0 +740.32786 16.0 +746.36636 23.0 +767.46612 118.0 +776.40876 57.0 +783.43525 13.0 +786.50785 11.0 +791.40951 36.0 +794.37006 24.0 +796.36073 13.0 +808.44452 16.0 +811.40481 12.0 +818.33607 12.0 +823.38713 14.0 +839.40052 26.0 +840.49993 14.0 +854.09153 12.0 +864.49767 37.0 +881.52149 197.0 +892.49386 11.0 +895.46808 22.0 +915.43384 16.0 +921.47746 11.0 +939.51125 11.0 +992.55615 36.0 +995.53752 11.0 +1010.57451 123.0 +1021.54093 20.0 +1032.47379 12.0 +1090.57122 13.0 +1141.63491 91.0 +END IONS +BEGIN IONS +TITLE=Cmpd 81, +MSn(653.3835), 60.9 min +PEPMASS=653.38347999999996 +CHARGE=2+ +204.56715 51.0 +223.16917 59.0 +251.16264 143.0 +258.1496 40.0 +276.65298 39.0 +300.16409 64.0 +324.68184 54.0 +341.16173 308.0 +377.70228 45.0 +384.17638 47.0 +426.254 109.0 +454.24825 335.0 +462.24461 103.0 +465.25534 62.0 +467.73702 46.0 +523.30905 89.0 +523.7906 45.0 +525.34287 48.0 +546.97834 46.0 +547.28615 89.0 +551.30232 179.0 +553.80574 51.0 +566.36619 49.0 +589.31561 91.0 +593.31892 175.0 +595.33258 105.0 +601.30438 56.0 +602.32146 835.0 +609.31308 125.0 +623.2932 53.0 +653.38836 792.0 +654.56321 49.0 +656.88609 58.0 +712.46253 88.0 +724.34027 215.0 +753.41551 67.0 +761.44806 56.0 +795.39605 168.0 +820.43007 38.0 +863.49446 32.0 +896.44006 130.0 +898.43448 31.0 +957.54039 30.0 +1009.53133 41.0 +1055.59949 72.0 +1056.60163 48.0 +1106.5779 88.0 +1107.58647 36.0 +1203.63564 180.0 +1792.72173 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 82, +MSn(978.5229), 61.1 min +PEPMASS=978.52296999999999 +CHARGE=2+ +199.12043 25.0 +201.13292 13.0 +213.10104 9.0 +226.13047 10.0 +227.1222 82.0 +251.20037 11.0 +255.14692 11.0 +262.15172 42.0 +268.16025 10.0 +272.17454 32.0 +274.18434 11.0 +283.15876 33.0 +283.26127 8.0 +284.14988 10.0 +296.49699 8.0 +300.16906 69.0 +308.17435 18.0 +311.17894 10.0 +312.16397 8.0 +313.16621 28.0 +325.20288 13.0 +332.19708 10.0 +333.18227 10.0 +337.13554 8.0 +340.18326 9.0 +341.15919 336.0 +343.1827 9.0 +357.19692 11.0 +358.18212 24.0 +359.17358 8.0 +366.15979 11.0 +368.15144 9.0 +373.18706 10.0 +382.19317 9.0 +385.19854 14.0 +386.47547 10.0 +398.22331 9.0 +402.37194 11.0 +409.24843 15.0 +411.2486 10.0 +417.25609 14.0 +426.25272 185.0 +436.24145 15.0 +437.21949 86.0 +438.11502 8.0 +439.24981 8.0 +443.17389 13.0 +452.23953 9.0 +454.24357 624.0 +454.83908 10.0 +462.22163 46.0 +465.0934 10.0 +481.28862 15.0 +482.31298 14.0 +484.32494 15.0 +486.25513 13.0 +489.23279 14.0 +495.26326 12.0 +496.28056 18.0 +498.26209 12.0 +500.36262 17.0 +504.35357 9.0 +505.24972 26.0 +507.26147 10.0 +508.29645 41.0 +510.21439 20.0 +512.30563 10.0 +516.3307 11.0 +518.27645 12.0 +522.42567 8.0 +523.28223 117.0 +531.32014 10.0 +533.28488 13.0 +534.26968 36.0 +544.27619 15.0 +544.36135 15.0 +549.32666 10.0 +550.24826 9.0 +551.29477 133.0 +554.2845 9.0 +554.98091 14.0 +555.81995 22.0 +555.98603 10.0 +556.31377 40.0 +556.82794 8.0 +557.38147 12.0 +561.29639 8.0 +567.33518 46.0 +569.2808 97.0 +570.65906 9.0 +571.88789 11.0 +572.31454 8.0 +576.30968 17.0 +577.31036 10.0 +579.33801 33.0 +580.34838 9.0 +582.35319 8.0 +589.30313 19.0 +589.85275 11.0 +591.33191 62.0 +595.31536 94.0 +599.32556 10.0 +600.31117 16.0 +601.31189 8.0 +601.79624 10.0 +602.32036 329.0 +602.63623 9.0 +605.27918 16.0 +608.30174 18.0 +609.31194 163.0 +610.81796 9.0 +612.32543 30.0 +612.9215 9.0 +614.32189 8.0 +617.32662 25.0 +617.55461 8.0 +620.33782 9.0 +621.34261 11.0 +622.30831 24.0 +623.29265 143.0 +628.31274 10.0 +630.48655 8.0 +632.37817 11.0 +632.64257 12.0 +633.87213 11.0 +637.27425 9.0 +638.32829 31.0 +640.31935 270.0 +643.32645 9.0 +646.53318 10.0 +647.34692 8.0 +649.3377 32.0 +650.81443 8.0 +657.85616 9.0 +658.35336 13.0 +658.81505 13.0 +659.35699 9.0 +659.87531 8.0 +665.35413 12.0 +667.35484 11.0 +670.42411 8.0 +678.38909 21.0 +680.38299 10.0 +681.35583 26.0 +690.37519 13.0 +692.39258 10.0 +695.39817 8.0 +699.35673 11.0 +701.39144 11.0 +701.8728 9.0 +702.3847 8.0 +705.34845 10.0 +706.10321 8.0 +706.42567 9.0 +706.91751 17.0 +707.39652 54.0 +710.37619 44.0 +710.89843 13.0 +714.41125 17.0 +717.10463 9.0 +717.39089 10.0 +718.36348 26.0 +724.34299 37.0 +725.40164 79.0 +726.89825 8.0 +732.32896 9.0 +734.16739 11.0 +734.43072 10.0 +735.39994 35.0 +736.37858 111.0 +740.42803 59.0 +742.40289 13.0 +746.42419 12.0 +750.44304 9.0 +751.46087 10.0 +753.40491 312.0 +753.61567 27.0 +754.41118 175.0 +755.67917 8.0 +756.41071 9.0 +756.95123 13.0 +757.20088 8.0 +761.43111 39.0 +784.79844 9.0 +795.39955 47.0 +797.49796 11.0 +813.44943 18.0 +815.90051 10.0 +816.44686 10.0 +818.94238 35.0 +819.94531 122.0 +826.92901 46.0 +828.45046 9.0 +828.75881 9.0 +828.94408 920.0 +833.90783 10.0 +834.96656 8.0 +850.47933 10.0 +851.47018 25.0 +861.51319 23.0 +864.50811 8.0 +870.51805 9.0 +875.7556 10.0 +876.06273 10.0 +885.49235 14.0 +896.43637 70.0 +922.44976 11.0 +928.77118 13.0 +938.48025 13.0 +939.59367 9.0 +940.51291 9.0 +942.49103 21.0 +943.4692 9.0 +944.49156 9.0 +958.06072 12.0 +961.41737 9.0 +976.02667 9.0 +976.91159 12.0 +980.82443 12.0 +981.53524 30.0 +984.74626 10.0 +987.12822 10.0 +1048.58544 20.0 +1057.5235 26.0 +1058.5295 17.0 +1060.45132 10.0 +1074.72635 10.0 +1106.57797 97.0 +1110.62409 10.0 +1111.62193 13.0 +1132.00087 8.0 +1151.94624 11.0 +1171.76474 8.0 +1185.628 15.0 +1201.63072 15.0 +1202.60032 10.0 +1203.29432 15.0 +1203.63344 664.0 +1207.66793 9.0 +1264.72507 10.0 +1316.73834 8.0 +1467.14491 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 83, +MSn(700.3777), 61.3 min +PEPMASS=700.37769000000003 +CHARGE=2+ +199.09207 19.0 +201.13393 1191.0 +209.09392 21.0 +213.10873 15.0 +215.10898 22.0 +216.11003 24.0 +217.10517 43.0 +219.14786 139.0 +226.10935 122.0 +231.12705 96.0 +233.11175 537.0 +243.12532 18.0 +244.11058 270.0 +247.15399 114.0 +251.21044 19.0 +252.15023 17.0 +253.14128 19.0 +259.15426 21.0 +261.1033 512.0 +262.14584 873.0 +267.16402 16.0 +270.14305 31.0 +271.13771 16.0 +273.17039 102.0 +283.27889 18.0 +285.16595 23.0 +287.15341 146.0 +294.15602 25.0 +299.14939 16.0 +303.18685 16.0 +312.16362 31.0 +313.167 20.0 +314.16476 112.0 +318.19375 371.0 +325.18757 16.0 +327.14514 20.0 +328.15334 27.0 +330.17538 30.0 +332.17995 202.0 +336.20502 14.0 +343.17895 217.0 +356.16815 14.0 +357.14348 25.0 +358.12395 16.0 +360.1705 47.0 +361.21069 890.0 +370.16261 14.0 +371.20115 14.0 +373.16273 126.0 +375.14787 524.0 +381.18476 30.0 +384.19904 21.0 +387.21583 23.0 +388.16786 20.0 +389.25953 40.0 +391.18 284.0 +398.18897 17.0 +399.2009 15.0 +400.21204 14.0 +401.1653 33.0 +402.15396 18.0 +405.21231 16.0 +408.19023 15.0 +409.18494 15.0 +414.2186 15.0 +415.21172 140.0 +417.25495 39.0 +418.25875 17.0 +419.17524 43.0 +420.2265 27.0 +425.19511 16.0 +427.19952 159.0 +431.20096 15.0 +432.23236 438.0 +437.27142 54.0 +443.21686 36.0 +444.24073 98.0 +445.22352 229.0 +452.23979 22.0 +453.24073 35.0 +455.21323 41.0 +456.21725 35.0 +457.19435 142.0 +461.22824 348.0 +465.26297 182.0 +468.18053 14.0 +469.25526 14.0 +470.25974 18.0 +471.25071 17.0 +472.22669 697.0 +477.20508 139.0 +480.23809 172.0 +485.20138 16.0 +486.22026 24.0 +487.19635 18.0 +488.25586 22.0 +489.21434 16.0 +490.24903 460.0 +494.22493 725.0 +499.23991 31.0 +500.2415 46.0 +501.22979 37.0 +502.22232 43.0 +503.23441 34.0 +504.22307 56.0 +505.20286 97.0 +507.26531 29.0 +508.29392 2691.0 +508.81982 15.0 +512.24339 30.0 +513.23822 26.0 +514.27059 23.0 +515.28134 37.0 +516.26005 251.0 +521.24342 13.0 +522.22131 938.0 +526.2534 218.0 +530.2682 130.0 +532.29518 125.0 +533.2948 348.0 +538.25115 23.0 +539.25692 26.0 +539.78163 30.0 +540.24783 36.0 +542.26597 24.0 +543.27877 316.0 +544.26554 732.0 +549.26974 22.0 +550.27517 38.0 +551.31206 150.0 +554.25676 19.0 +555.28385 25.0 +556.25954 49.0 +557.26803 45.0 +558.25267 212.0 +561.28862 838.0 +566.28308 25.0 +567.30186 17.0 +567.80594 14.0 +571.27793 28.0 +572.27129 40.0 +573.27802 107.0 +575.27497 88.0 +576.27177 555.0 +579.33254 4134.0 +579.79703 14.0 +582.79427 34.0 +585.26334 25.0 +586.27171 28.0 +587.26962 24.0 +588.25088 26.0 +589.30654 108.0 +591.29386 113.0 +591.80387 35.0 +592.79507 19.0 +593.28715 425.0 +595.82472 17.0 +599.30805 41.0 +600.31274 93.0 +602.30524 21.0 +603.28381 43.0 +604.26926 251.0 +609.29661 139.0 +614.29822 18.0 +615.32687 30.0 +616.33881 29.0 +618.30256 21.0 +619.3215 16.0 +620.29494 26.0 +621.28817 582.0 +626.30091 21.0 +627.32346 28.0 +629.31801 15.0 +630.31936 22.0 +631.30192 23.0 +632.31103 24.0 +633.36198 50.0 +634.35148 24.0 +635.33994 25.0 +637.31451 15.0 +641.31107 20.0 +643.32886 29.0 +644.34574 31.0 +645.32403 26.0 +646.31913 26.0 +647.32413 229.0 +656.30847 20.0 +657.29717 37.0 +658.30241 31.0 +659.32472 25.0 +660.36393 50.0 +661.35711 120.0 +663.34099 108.0 +664.34069 177.0 +664.49584 15.0 +669.34712 18.0 +670.32467 18.0 +673.34097 21.0 +674.33244 52.0 +675.31798 376.0 +678.40277 1974.0 +686.30834 15.0 +687.3084 32.0 +688.36745 34.0 +689.3424 19.0 +690.35752 80.0 +691.3385 214.0 +692.33682 618.0 +697.36386 17.0 +703.34238 31.0 +704.32901 202.0 +708.36068 331.0 +718.37317 16.0 +719.34279 17.0 +720.3738 28.0 +722.34837 74.0 +723.33658 174.0 +729.36408 17.0 +730.36487 19.0 +740.3405 120.0 +746.38146 42.0 +747.37671 25.0 +748.37605 16.0 +751.36057 15.0 +758.36949 14.0 +762.4121 25.0 +763.41321 27.0 +768.37129 22.0 +770.34173 15.0 +774.38521 32.0 +775.37906 24.0 +776.38487 36.0 +777.38366 16.0 +779.42923 25.0 +789.42895 15.0 +790.40952 162.0 +794.38868 131.0 +803.41198 25.0 +804.39199 31.0 +805.38588 29.0 +806.41316 15.0 +807.44054 92.0 +811.41285 53.0 +812.40811 26.0 +821.40778 27.0 +822.3882 244.0 +825.48358 847.0 +834.40014 19.0 +835.46844 36.0 +836.46673 19.0 +839.40619 247.0 +875.46497 17.0 +893.45065 24.0 +894.45241 18.0 +905.47148 16.0 +921.46168 38.0 +922.50098 122.0 +938.4867 32.0 +939.52715 1076.0 +950.49394 26.0 +951.51009 25.0 +992.60083 14.0 +1033.55172 19.0 +1050.56114 63.0 +1051.5553 153.0 +1068.57672 663.0 +1079.55548 36.0 +1080.54847 24.0 +1182.59213 17.0 +1183.59586 13.0 +1199.61821 529.0 +1200.85541 15.0 +END IONS +BEGIN IONS +TITLE=Cmpd 84, +MSn(708.3754), 61.4 min +PEPMASS=708.37540999999999 +CHARGE=2+ +199.12137 20.0 +201.1373 140.0 +209.10859 13.0 +211.11601 20.0 +213.09409 15.0 +215.11279 48.0 +219.13925 25.0 +222.12003 14.0 +226.11978 26.0 +227.14648 27.0 +230.12449 15.0 +231.11294 36.0 +233.10305 22.0 +235.12626 23.0 +237.10883 14.0 +237.16342 13.0 +239.12498 35.0 +242.15198 16.0 +244.1076 63.0 +244.23057 12.0 +247.1564 72.0 +249.10449 58.0 +251.16085 31.0 +259.0888 33.0 +261.11355 43.0 +262.14859 305.0 +265.176 13.0 +266.15308 19.0 +266.23856 12.0 +270.12877 16.0 +272.13674 20.0 +274.15009 13.0 +275.11471 20.0 +277.10009 112.0 +282.08967 19.0 +284.16707 21.0 +286.19794 11.0 +287.17133 18.0 +289.13819 14.0 +290.16958 22.0 +297.17292 12.0 +299.14534 32.0 +299.70214 15.0 +307.15934 47.0 +311.1598 42.0 +314.13722 15.0 +316.17831 36.0 +318.19488 50.0 +320.18201 38.0 +323.26496 13.0 +326.1836 13.0 +328.14319 14.0 +333.18749 34.0 +333.3027 14.0 +338.19692 50.0 +338.42219 14.0 +338.5269 18.0 +340.16046 14.0 +342.16595 14.0 +343.21532 24.0 +344.16624 39.0 +347.14955 14.0 +348.16296 42.0 +350.138 12.0 +357.22498 12.0 +359.20705 16.0 +359.3573 12.0 +361.21469 332.0 +366.15556 14.0 +367.16378 15.0 +373.15157 17.0 +374.15312 14.0 +375.14165 59.0 +378.14969 14.0 +384.13188 14.0 +386.20943 16.0 +389.19093 29.0 +389.25824 15.0 +391.16515 154.0 +393.59263 15.0 +399.31843 13.0 +405.31279 11.0 +409.22004 16.0 +410.15219 21.0 +412.19557 24.0 +415.21217 57.0 +415.32105 11.0 +418.26765 51.0 +419.22718 72.0 +424.21863 19.0 +425.3373 12.0 +427.21916 33.0 +431.19274 18.0 +432.23989 51.0 +433.22167 135.0 +439.24174 79.0 +442.61003 18.0 +443.20154 20.0 +445.23607 15.0 +445.41954 13.0 +446.20762 89.0 +447.31913 14.0 +455.21871 139.0 +460.98121 13.0 +461.31461 13.0 +462.22375 55.0 +465.26561 66.0 +466.19591 17.0 +467.215 13.0 +469.26661 18.0 +470.31508 12.0 +472.24227 98.0 +472.67064 15.0 +474.2172 153.0 +478.81906 12.0 +479.24715 14.0 +479.9112 52.0 +480.23915 102.0 +485.20515 18.0 +487.26517 11.0 +487.43107 13.0 +489.30195 14.0 +490.24404 63.0 +493.27804 30.0 +494.23152 90.0 +499.25044 15.0 +500.23677 100.0 +504.85876 27.0 +505.18777 16.0 +506.32476 34.0 +507.26662 15.0 +508.29339 650.0 +511.22225 36.0 +512.26563 61.0 +515.268 16.0 +515.40013 14.0 +516.06886 17.0 +516.25022 170.0 +522.21304 56.0 +524.29276 118.0 +524.73472 12.0 +525.6398 11.0 +526.25013 122.0 +528.26901 152.0 +530.79018 71.0 +533.30785 11.0 +534.31566 119.0 +538.22076 148.0 +539.79156 48.0 +540.28687 21.0 +542.50596 12.0 +543.26802 273.0 +545.43419 13.0 +548.28665 40.0 +549.29562 150.0 +549.78623 58.0 +553.33641 23.0 +554.24214 12.0 +556.26964 93.0 +558.81766 12.0 +561.28637 242.0 +567.29321 28.0 +571.27908 92.0 +574.27418 69.0 +576.30341 152.0 +578.26834 17.0 +579.33161 921.0 +579.95697 15.0 +580.55223 26.0 +581.46987 16.0 +584.28717 48.0 +586.72537 14.0 +588.33157 51.0 +590.80854 16.0 +591.27571 161.0 +595.32866 137.0 +599.28745 45.0 +601.3049 155.0 +601.81087 31.0 +604.47667 13.0 +604.83051 12.0 +606.31805 25.0 +608.3161 30.0 +608.8066 14.0 +609.29333 191.0 +610.31562 82.0 +610.81922 48.0 +612.72785 22.0 +614.25091 14.0 +616.33277 46.0 +619.29876 12.0 +620.28097 95.0 +622.36264 46.0 +622.70762 35.0 +623.25329 24.0 +625.85363 32.0 +626.40144 17.0 +626.77215 12.0 +627.30735 67.0 +630.32961 19.0 +635.31327 35.0 +637.2921 138.0 +642.31391 35.0 +644.32851 178.0 +650.28377 12.0 +651.36796 19.0 +653.32126 19.0 +654.32041 54.0 +654.87427 13.0 +657.33487 84.0 +657.84521 13.0 +661.34466 91.0 +663.59483 12.0 +667.38683 19.0 +668.84119 12.0 +671.09428 12.0 +671.333 138.0 +672.0082 47.0 +675.34237 50.0 +676.87241 13.0 +677.36876 29.0 +678.40275 394.0 +678.58279 17.0 +688.36968 29.0 +690.3436 26.0 +691.32145 120.0 +691.51342 13.0 +694.38563 50.0 +698.34805 12.0 +699.37685 33.0 +703.34385 17.0 +705.53146 11.0 +707.39194 12.0 +708.33345 93.0 +710.48031 12.0 +711.41337 16.0 +718.35982 47.0 +720.34646 36.0 +721.33137 123.0 +726.36041 14.0 +728.38593 13.0 +739.33949 44.0 +744.33761 14.0 +746.3638 38.0 +750.25739 16.0 +751.38839 31.0 +755.38698 13.0 +756.37225 35.0 +759.40042 18.0 +761.38092 12.0 +762.39052 21.0 +764.36166 36.0 +771.43724 12.0 +772.40387 18.0 +773.40464 41.0 +776.33439 18.0 +778.38723 12.0 +779.39555 25.0 +784.39155 14.0 +789.37691 12.0 +791.3905 45.0 +794.37041 12.0 +798.15358 15.0 +810.37036 14.0 +819.39641 18.0 +825.48071 206.0 +837.38985 38.0 +841.47806 45.0 +844.44072 51.0 +849.50624 18.0 +851.69634 14.0 +855.40884 34.0 +868.4116 90.0 +869.69753 13.0 +872.4562 48.0 +877.23373 13.0 +885.39066 11.0 +890.47005 19.0 +897.87725 22.0 +922.50452 24.0 +923.49504 38.0 +939.52065 116.0 +981.51062 25.0 +982.51504 41.0 +1000.50399 14.0 +1006.48282 19.0 +1015.72532 14.0 +1050.55892 15.0 +1051.54623 14.0 +1064.53928 15.0 +1066.57014 12.0 +1068.58333 77.0 +1078.55726 15.0 +1080.54792 18.0 +1082.5681 13.0 +1085.56265 19.0 +1151.59955 52.0 +1197.59151 18.0 +1215.61884 17.0 +1216.62486 12.0 +1740.70909 13.0 +END IONS +BEGIN IONS +TITLE=Cmpd 85, +MSn(768.9052), 62.0 min +PEPMASS=768.90515000000005 +CHARGE=2+ +199.11995 71.0 +227.11513 137.0 +283.15788 485.0 +298.14596 54.0 +311.15147 282.0 +327.14249 45.0 +329.12954 52.0 +340.20631 101.0 +368.94054 41.0 +382.1922 121.0 +387.28426 45.0 +407.1859 41.0 +453.29103 99.0 +479.24894 60.0 +485.2168 61.0 +495.28189 196.0 +508.25349 41.0 +524.32028 82.0 +530.27444 48.0 +540.25712 73.0 +548.25988 46.0 +555.81475 65.0 +556.30347 59.0 +578.31061 597.0 +580.29644 46.0 +591.18121 44.0 +600.32416 46.0 +614.33073 43.0 +618.33106 104.0 +642.78579 41.0 +658.30675 92.0 +661.34512 45.0 +703.33742 233.0 +739.90262 39.0 +743.46608 80.0 +757.44781 35.0 +771.42953 77.0 +799.24657 36.0 +816.42144 225.0 +824.43072 39.0 +895.45904 42.0 +929.50335 208.0 +1058.55463 55.0 +1059.54002 43.0 +1155.61394 157.0 +1226.67225 51.0 +1227.64923 19.0 +1366.35968 10.0 +1505.14885 10.0 +1591.90564 6.0 +1707.44497 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 86, +MSn(746.4091), 62.5 min +PEPMASS=746.40911000000006 +CHARGE=2+ +198.13648 8.0 +199.1178 96.0 +200.12276 9.0 +201.13367 14.0 +207.11881 28.0 +209.10781 17.0 +211.15813 10.0 +213.16386 11.0 +215.14932 11.0 +216.1477 15.0 +226.12857 28.0 +227.11727 268.0 +235.12014 39.0 +236.11551 8.0 +242.1389 8.0 +243.15657 33.0 +244.13788 71.0 +247.11539 15.0 +249.17324 16.0 +251.22002 10.0 +261.16205 132.0 +263.14045 8.0 +272.16535 9.0 +277.16896 24.0 +278.1614 10.0 +283.15684 1305.0 +294.13525 12.0 +297.16569 18.0 +298.15275 140.0 +311.15326 590.0 +314.185 10.0 +315.18537 19.0 +316.17519 11.0 +322.19286 8.0 +327.14442 41.0 +328.15151 10.0 +329.16357 8.0 +330.17503 9.0 +332.20327 137.0 +334.20239 8.0 +337.17694 9.0 +338.21235 24.0 +340.19882 363.0 +343.19322 8.0 +345.18218 11.0 +348.20614 8.0 +349.15965 44.0 +356.23267 11.0 +364.18823 12.0 +365.20851 9.0 +368.18806 8.0 +382.19528 103.0 +387.90595 8.0 +390.24556 24.0 +391.25553 9.0 +398.18225 22.0 +399.17462 10.0 +411.24083 59.0 +425.28712 63.0 +426.28755 10.0 +427.27507 8.0 +433.23115 8.0 +435.27007 12.0 +440.23869 55.0 +443.20385 11.0 +450.26607 8.0 +453.28782 257.0 +457.25989 9.0 +458.2331 93.0 +466.26901 8.0 +467.22637 17.0 +468.24132 14.0 +470.32283 9.0 +474.24056 8.0 +475.27102 46.0 +478.26338 74.0 +481.41259 54.0 +484.27951 8.0 +485.26912 17.0 +487.26683 11.0 +490.22975 8.0 +491.3018 8.0 +494.44887 9.0 +495.2778 669.0 +498.28055 9.0 +499.32916 7.0 +500.38209 10.0 +501.29025 35.0 +501.67921 9.0 +503.27422 136.0 +507.27147 7.0 +508.29621 25.0 +509.23666 16.0 +510.25978 9.0 +511.25009 130.0 +516.30535 10.0 +518.25625 9.0 +519.31926 16.0 +520.3072 14.0 +523.28539 8.0 +524.32088 142.0 +527.26223 13.0 +528.25405 12.0 +529.28107 58.0 +531.27962 10.0 +532.26844 9.0 +535.25221 15.0 +537.29571 10.0 +538.24107 10.0 +539.2944 8.0 +540.30509 7.0 +544.28532 8.0 +546.29944 67.0 +546.80965 9.0 +547.80681 11.0 +550.33123 10.0 +552.29665 12.0 +553.28069 16.0 +554.28534 35.0 +555.81728 582.0 +558.29318 10.0 +559.28583 9.0 +561.29702 15.0 +563.27085 13.0 +564.3103 11.0 +565.33401 8.0 +567.29944 8.0 +568.32851 11.0 +569.2899 22.0 +571.33698 71.0 +573.31043 8.0 +574.30441 64.0 +579.31342 68.0 +584.29518 15.0 +585.30376 9.0 +586.33465 10.0 +588.35521 243.0 +591.33912 9.0 +591.82776 21.0 +594.31084 12.0 +595.31035 17.0 +596.35939 17.0 +597.31353 15.0 +598.33994 18.0 +599.33916 12.0 +600.35298 14.0 +601.34032 8.0 +605.31088 8.0 +606.27112 8.0 +607.31304 9.0 +608.30806 15.0 +609.29815 13.0 +610.32742 11.0 +612.37442 10.0 +613.34605 7.0 +614.34877 11.0 +616.35529 337.0 +621.30776 7.0 +622.32918 10.0 +623.31347 17.0 +624.33028 56.0 +628.41007 10.0 +631.33364 8.0 +631.50657 8.0 +637.33453 12.0 +638.34967 36.0 +640.3284 32.0 +641.3308 47.0 +642.36321 66.0 +648.33276 8.0 +649.3646 11.0 +650.35404 13.0 +652.35501 7.0 +654.37731 12.0 +658.34714 741.0 +661.36899 8.0 +664.34996 19.0 +665.3411 7.0 +666.33653 56.0 +669.38307 15.0 +673.37526 10.0 +679.36376 10.0 +680.95125 7.0 +682.37398 11.0 +685.45161 18.0 +686.26552 8.0 +686.46736 15.0 +687.39735 189.0 +689.97358 8.0 +692.36607 9.0 +693.36801 14.0 +694.37317 10.0 +696.41219 8.0 +697.37652 8.0 +702.36599 8.0 +703.34661 7.0 +705.34916 9.0 +706.35051 8.0 +709.38768 17.0 +714.86048 8.0 +715.4564 15.0 +721.37538 12.0 +727.36448 8.0 +734.40092 49.0 +734.95545 8.0 +736.13375 8.0 +737.38603 53.0 +739.41717 9.0 +740.40053 8.0 +744.4323 7.0 +747.51288 9.0 +750.37856 9.0 +751.42152 115.0 +755.41862 9.0 +756.42354 9.0 +757.42821 8.0 +758.43267 9.0 +761.40794 9.0 +763.44011 7.0 +771.4314 385.0 +777.43157 8.0 +779.42784 115.0 +782.44518 10.0 +786.03044 8.0 +805.43735 19.0 +806.42733 15.0 +813.521 16.0 +822.4607 51.0 +832.45405 13.0 +847.46019 8.0 +850.46421 111.0 +867.47454 18.0 +868.47243 10.0 +884.52142 264.0 +921.50746 15.0 +964.50533 15.0 +965.50696 13.0 +966.50394 11.0 +987.48591 8.0 +995.54131 10.0 +996.5479 9.0 +1013.57037 154.0 +1018.63411 8.0 +1033.61935 8.0 +1093.60237 20.0 +1094.60958 9.0 +1110.62728 279.0 +1181.66443 88.0 +END IONS +BEGIN IONS +TITLE=Cmpd 87, +MSn(878.9517), 62.6 min +PEPMASS=878.95164999999997 +CHARGE=2+ +217.108 75.0 +232.11692 72.0 +245.11481 64.0 +283.15142 63.0 +289.16847 66.0 +304.26782 37.0 +314.1353 46.0 +367.21634 40.0 +402.26201 126.0 +440.55463 38.0 +503.248 64.0 +506.21425 43.0 +515.34932 410.0 +533.2027 46.0 +555.80994 47.0 +556.33104 51.0 +603.22514 45.0 +624.23131 34.0 +628.43259 238.0 +652.59517 55.0 +682.52874 40.0 +687.48227 40.0 +692.33775 47.0 +711.88166 44.0 +715.47336 695.0 +748.85462 45.0 +753.89608 65.0 +778.45021 43.0 +785.46832 40.0 +793.44639 324.0 +808.42247 49.0 +816.43531 49.0 +825.45018 41.0 +828.56868 251.0 +846.95043 38.0 +850.94533 57.0 +877.46654 36.0 +878.96142 60.0 +880.42868 38.0 +991.62473 127.0 +1106.67803 72.0 +1110.61409 27.0 +1132.68241 27.0 +1235.7225 28.0 +1236.70097 26.0 +1336.79258 50.0 +1388.77912 27.0 +1405.78099 34.0 +1696.9219 14.0 +1723.29003 14.0 +1954.70283 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 88, +MSn(870.9517), 62.7 min +PEPMASS=870.95169999999996 +CHARGE=2+ +200.08556 12.0 +201.13314 19.0 +205.07604 13.0 +217.11201 111.0 +227.1158 14.0 +228.07246 12.0 +230.10588 62.0 +232.1232 66.0 +234.10349 34.0 +240.09826 12.0 +244.11828 16.0 +245.10667 199.0 +251.11729 15.0 +251.22134 18.0 +255.11961 12.0 +258.10113 71.0 +262.11623 24.0 +263.09319 16.0 +268.09872 32.0 +269.21472 14.0 +272.1457 27.0 +279.1091 18.0 +283.15866 26.0 +288.11082 67.0 +289.17488 242.0 +296.11586 109.0 +311.15055 19.0 +312.17208 12.0 +313.12104 44.0 +314.20648 17.0 +323.12881 68.0 +333.16326 15.0 +335.15002 28.0 +340.19547 12.0 +341.1401 205.0 +346.14675 25.0 +359.14816 28.0 +360.13464 12.0 +369.12754 35.0 +373.13496 46.0 +379.12552 81.0 +385.23848 47.0 +387.1292 86.0 +387.27728 12.0 +391.15063 14.0 +397.1633 47.0 +400.23181 15.0 +402.26103 718.0 +405.14161 260.0 +415.1801 30.0 +417.1583 13.0 +424.18427 16.0 +425.17922 14.0 +438.90516 12.0 +442.18545 125.0 +460.20864 26.0 +461.20477 15.0 +462.19628 14.0 +463.20102 12.0 +470.17203 75.0 +471.28835 15.0 +478.19408 29.0 +480.18245 123.0 +488.18513 304.0 +491.18625 45.0 +495.26974 16.0 +497.33427 21.0 +498.20321 20.0 +498.31382 73.0 +505.22925 14.0 +506.18546 317.0 +508.17639 286.0 +512.21834 15.0 +513.33178 17.0 +515.34871 1288.0 +516.1747 23.0 +518.22317 17.0 +521.30236 14.0 +523.35383 18.0 +525.23927 23.0 +526.19154 100.0 +532.19783 57.0 +532.34561 17.0 +539.22113 13.0 +540.23355 16.0 +542.21884 12.0 +543.24116 49.0 +547.3366 30.0 +548.24472 19.0 +550.19531 33.0 +553.22548 38.0 +555.23154 14.0 +555.82206 35.0 +556.22732 20.0 +557.2374 27.0 +558.24518 18.0 +560.22896 32.0 +562.25687 14.0 +567.30369 17.0 +571.24251 195.0 +576.29599 12.0 +577.32417 17.0 +578.23126 16.0 +579.32988 29.0 +585.22416 120.0 +590.26822 14.0 +591.23113 21.0 +592.22811 12.0 +595.22109 15.0 +595.32296 16.0 +596.22018 18.0 +599.21108 19.0 +600.21367 20.0 +601.22603 21.0 +603.22848 303.0 +604.7775 25.0 +611.39964 58.0 +613.21806 26.0 +615.23162 33.0 +617.23201 160.0 +622.30427 26.0 +623.21001 140.0 +626.388 13.0 +628.43676 836.0 +635.24195 223.0 +639.43693 12.0 +640.25754 12.0 +641.21674 470.0 +651.21893 57.0 +652.34463 13.0 +657.2778 19.0 +658.3455 27.0 +659.8775 14.0 +668.25817 42.0 +669.25351 100.0 +673.30708 23.0 +674.30987 16.0 +675.33933 14.0 +678.40234 21.0 +685.43162 13.0 +686.27137 203.0 +691.32726 15.0 +692.34218 12.0 +697.47189 28.0 +698.43775 48.0 +699.88101 16.0 +701.32046 15.0 +702.3619 14.0 +703.36878 15.0 +705.3717 12.0 +706.35407 16.0 +709.35106 13.0 +710.37112 19.0 +711.35948 14.0 +713.32469 14.0 +713.45853 43.0 +714.25835 12.0 +715.24721 30.0 +715.47343 2381.0 +718.33709 14.0 +720.29296 20.0 +721.3134 15.0 +724.2992 12.0 +731.38371 16.0 +732.25958 153.0 +736.37887 13.0 +738.31009 32.0 +739.89373 114.0 +743.42199 24.0 +748.28334 28.0 +748.40492 146.0 +749.10096 17.0 +750.27372 227.0 +753.88104 19.0 +754.37524 22.0 +755.38128 13.0 +758.30276 15.0 +760.26426 13.0 +761.91178 33.0 +762.41588 28.0 +764.29792 19.0 +766.29732 76.0 +767.9451 13.0 +770.33973 13.0 +771.40726 16.0 +773.3721 18.0 +775.41858 22.0 +775.94315 23.0 +776.28833 149.0 +782.3353 26.0 +784.43991 96.0 +786.28336 23.0 +788.42688 90.0 +790.40394 18.0 +793.43944 20.0 +793.94448 18.0 +794.43366 13.0 +797.43293 723.0 +802.42423 198.0 +804.2886 148.0 +805.92868 16.0 +807.429 101.0 +809.43042 12.0 +810.55815 22.0 +811.51772 24.0 +812.53364 13.0 +815.9391 98.0 +818.42528 13.0 +821.95095 14.0 +822.43302 22.0 +824.1439 12.0 +825.47862 21.0 +826.51575 14.0 +828.56244 1066.0 +829.94622 369.0 +830.12075 14.0 +831.55494 38.0 +831.94253 19.0 +835.41376 16.0 +837.95865 20.0 +838.46939 13.0 +838.95242 1855.0 +840.65049 15.0 +849.34529 105.0 +852.93695 192.0 +856.41077 12.0 +861.39361 16.0 +861.94548 972.0 +862.66991 29.0 +864.9452 14.0 +869.35971 14.0 +870.42702 20.0 +870.95258 1120.0 +872.11967 26.0 +873.2064 13.0 +879.385 30.0 +880.39632 22.0 +885.34949 29.0 +895.33487 30.0 +896.33328 17.0 +899.35534 12.0 +913.34381 82.0 +917.37599 53.0 +934.42911 17.0 +935.45054 12.0 +939.5287 13.0 +948.43244 19.0 +962.43315 27.0 +963.42969 16.0 +983.46768 12.0 +986.37747 16.0 +991.63174 563.0 +1018.62249 12.0 +1026.42851 68.0 +1031.4629 13.0 +1049.4623 18.0 +1088.63484 12.0 +1095.46523 15.0 +1096.4642 12.0 +1106.66233 538.0 +1164.56535 12.0 +1235.70624 284.0 +1319.72921 17.0 +1336.76111 219.0 +1337.03527 12.0 +1339.66513 12.0 +1390.72015 12.0 +1496.80591 62.0 +1979.49519 14.0 +END IONS +BEGIN IONS +TITLE=Cmpd 89, +MSn(582.3386), 62.9 min +PEPMASS=582.33861999999999 +CHARGE=2+ +199.18877 161.0 +201.13277 234.0 +213.16769 196.0 +216.11002 67.0 +217.10643 40.0 +218.16436 62.0 +219.16437 24.0 +226.09775 37.0 +227.09378 26.0 +227.187 90.0 +228.15276 47.0 +230.10753 43.0 +231.11174 65.0 +232.12246 27.0 +234.10353 25.0 +238.09925 49.0 +244.10778 81.0 +245.10258 116.0 +249.16209 32.0 +251.11606 47.0 +251.20768 23.0 +255.11971 120.0 +258.10328 96.0 +258.18132 119.0 +262.09996 26.0 +268.15052 35.0 +269.20071 33.0 +272.14935 270.0 +277.15686 24.0 +278.12382 20.0 +283.2815 20.0 +288.11316 41.0 +289.17472 379.0 +296.21435 37.0 +298.15663 20.0 +309.12033 74.0 +312.1708 32.0 +314.21746 112.0 +314.72222 105.0 +318.13181 22.0 +326.1825 29.0 +327.21093 60.0 +328.12896 25.0 +341.14527 49.0 +341.22727 37.0 +342.21687 27.0 +343.17357 32.0 +344.1899 36.0 +346.17168 54.0 +350.19132 25.0 +351.17965 24.0 +357.20366 130.0 +359.15386 57.0 +365.22209 264.0 +373.13397 30.0 +375.6414 20.0 +378.17958 31.0 +379.12758 32.0 +385.23554 218.0 +387.13048 31.0 +391.15877 21.0 +402.26023 1635.0 +405.1424 78.0 +408.15729 27.0 +411.22888 28.0 +415.18548 28.0 +424.2252 21.0 +427.30886 22.0 +428.26759 21.0 +440.23289 54.0 +441.22074 26.0 +442.19361 30.0 +443.17759 73.0 +444.17336 61.0 +445.17644 21.0 +448.17203 35.0 +449.21273 36.0 +456.25801 50.0 +457.1862 31.0 +457.67457 21.0 +458.24022 62.0 +458.7454 38.0 +459.22167 176.0 +459.74486 27.0 +464.26171 30.0 +468.25504 22.0 +470.18653 77.0 +471.17364 33.0 +473.24135 38.0 +475.22525 26.0 +476.25833 99.0 +478.20412 22.0 +480.18813 33.0 +481.28726 59.0 +481.71302 27.0 +482.19364 24.0 +483.1849 21.0 +483.72688 39.0 +485.20875 23.0 +487.30213 24.0 +488.19278 593.0 +490.71593 37.0 +491.26525 25.0 +492.20494 32.0 +494.27109 234.0 +497.33249 43.0 +498.32045 265.0 +502.27271 20.0 +504.70738 21.0 +505.21548 34.0 +506.18308 680.0 +513.32579 33.0 +513.71407 51.0 +514.21772 35.0 +514.73366 26.0 +515.34884 4202.0 +516.71694 24.0 +517.73828 24.0 +522.22598 25.0 +523.21964 43.0 +524.29652 24.0 +525.2347 75.0 +525.73737 26.0 +526.28159 31.0 +527.22087 36.0 +531.28753 29.0 +532.18748 58.0 +537.18051 41.0 +539.21689 173.0 +541.35059 20.0 +543.25461 23.0 +544.28957 23.0 +545.25594 21.0 +548.2305 412.0 +551.29248 22.0 +552.24394 50.0 +553.23017 57.0 +553.63724 43.0 +553.96242 21.0 +554.24626 24.0 +555.20222 59.0 +556.22403 28.0 +557.23349 314.0 +559.25839 58.0 +560.25332 29.0 +561.2892 24.0 +567.32449 20.0 +569.28327 71.0 +570.27092 44.0 +571.23969 71.0 +572.24164 38.0 +573.3086 23.0 +574.29129 28.0 +577.30319 53.0 +578.21788 36.0 +580.2786 28.0 +582.48329 35.0 +584.4986 21.0 +585.22095 131.0 +587.27837 67.0 +590.77793 63.0 +591.29322 27.0 +591.78757 28.0 +595.32919 635.0 +599.2866 21.0 +601.22591 30.0 +603.22929 801.0 +611.39647 79.0 +612.40499 30.0 +613.22707 41.0 +614.28043 26.0 +617.23338 144.0 +620.25779 75.0 +621.27624 37.0 +622.26538 25.0 +623.21979 170.0 +628.43716 2396.0 +630.27522 22.0 +635.2403 431.0 +640.2568 21.0 +641.22242 292.0 +651.25068 22.0 +656.24855 34.0 +657.2776 35.0 +658.30145 34.0 +668.25427 240.0 +673.44367 24.0 +675.29471 20.0 +680.4366 23.0 +685.45864 35.0 +686.27012 768.0 +690.40229 23.0 +693.82147 22.0 +697.45549 392.0 +704.27893 38.0 +705.28216 25.0 +706.32692 22.0 +708.41875 541.0 +713.45608 59.0 +714.25623 51.0 +714.46447 27.0 +715.47362 6185.0 +720.28151 38.0 +725.45632 35.0 +726.45984 23.0 +732.26096 588.0 +738.30499 54.0 +739.29497 33.0 +740.31537 20.0 +748.29782 53.0 +749.2924 27.0 +750.2722 2512.0 +755.29391 23.0 +758.30733 23.0 +765.31372 31.0 +766.30286 208.0 +771.36241 25.0 +776.29433 49.0 +777.27965 22.0 +786.30648 33.0 +788.37699 32.0 +803.31384 29.0 +804.32944 156.0 +810.54831 75.0 +811.54902 24.0 +819.30184 27.0 +819.43337 22.0 +821.34687 255.0 +828.56197 496.0 +831.34196 40.0 +837.47116 219.0 +849.34549 447.0 +867.3289 38.0 +868.33679 27.0 +869.34651 22.0 +879.37651 32.0 +885.3479 292.0 +895.33679 253.0 +913.34473 1255.0 +933.50396 23.0 +934.49005 60.0 +935.48092 35.0 +951.51371 1041.0 +962.44366 47.0 +963.48854 20.0 +1008.41961 24.0 +1026.43683 66.0 +1027.43527 32.0 +1031.4541 41.0 +1050.59172 77.0 +1051.57865 48.0 +1095.45373 282.0 +1113.45971 73.0 +END IONS +BEGIN IONS +TITLE=Cmpd 90, +MSn(700.3764), 64.0 min +PEPMASS=700.37639000000001 +CHARGE=2+ +195.12584 8.0 +198.13459 10.0 +199.1197 11.0 +201.13425 265.0 +209.10212 8.0 +215.12629 15.0 +217.12877 7.0 +219.14155 34.0 +226.10446 19.0 +227.11288 20.0 +231.13049 23.0 +233.11317 116.0 +237.1355 8.0 +239.1337 10.0 +240.13521 10.0 +244.12682 73.0 +247.15742 31.0 +249.15043 7.0 +258.15347 8.0 +261.10228 99.0 +262.14685 222.0 +266.16223 9.0 +269.21159 9.0 +273.16568 18.0 +283.15709 42.0 +287.15169 10.0 +289.16235 12.0 +294.15591 9.0 +302.1581 7.0 +307.19256 8.0 +311.29886 10.0 +315.1539 10.0 +316.17166 12.0 +318.19532 81.0 +328.16171 10.0 +330.16844 9.0 +332.17885 48.0 +338.19093 8.0 +342.20635 10.0 +343.21756 10.0 +344.1867 15.0 +345.16648 11.0 +346.16696 11.0 +348.15609 8.0 +353.54092 8.0 +357.06521 11.0 +357.17663 12.0 +359.13597 8.0 +361.20903 241.0 +364.20388 8.0 +365.17216 10.0 +367.25982 7.0 +373.17201 36.0 +373.38198 7.0 +375.14575 98.0 +379.17106 9.0 +381.19598 11.0 +387.20732 9.0 +388.17311 8.0 +389.26094 11.0 +390.26704 7.0 +390.57257 8.0 +391.16938 75.0 +398.19782 10.0 +399.24545 9.0 +402.25646 7.0 +413.24117 14.0 +415.22452 51.0 +419.16855 9.0 +424.23127 8.0 +425.22148 10.0 +429.18977 14.0 +432.23406 94.0 +437.25672 14.0 +440.21009 7.0 +443.22253 10.0 +444.23006 19.0 +445.22308 15.0 +446.20473 11.0 +452.24011 10.0 +452.72355 7.0 +453.25241 14.0 +456.21777 9.0 +458.19653 10.0 +459.17942 7.0 +460.17798 8.0 +461.23411 24.0 +462.23573 55.0 +465.26051 42.0 +467.25023 8.0 +472.23908 37.0 +473.22703 64.0 +475.26551 9.0 +476.22441 16.0 +477.76726 7.0 +478.19571 9.0 +479.27714 9.0 +480.24402 13.0 +481.24639 12.0 +482.26339 8.0 +483.23864 13.0 +484.25021 8.0 +487.28349 12.0 +488.18271 9.0 +490.24697 124.0 +494.22779 113.0 +496.29207 15.0 +497.22132 7.0 +498.29443 9.0 +499.26551 11.0 +500.21796 10.0 +501.24782 8.0 +501.91858 7.0 +502.22314 11.0 +502.33864 15.0 +503.19615 8.0 +505.22209 21.0 +507.21661 8.0 +508.29363 464.0 +511.28372 10.0 +515.34811 29.0 +516.25887 70.0 +522.22045 138.0 +526.25674 50.0 +529.29956 8.0 +530.24316 19.0 +531.29207 11.0 +531.58033 8.0 +531.73149 10.0 +532.28898 39.0 +534.28731 55.0 +536.32146 9.0 +537.34174 8.0 +538.2402 10.0 +540.24694 14.0 +543.27247 44.0 +544.26191 149.0 +549.26582 12.0 +550.23874 8.0 +551.32437 7.0 +552.30703 10.0 +553.33268 9.0 +556.26153 11.0 +557.29026 9.0 +558.24388 63.0 +561.28943 195.0 +571.26826 9.0 +574.28969 9.0 +575.2829 14.0 +576.27152 95.0 +579.33461 736.0 +579.79029 8.0 +582.30617 9.0 +583.28645 15.0 +584.32609 8.0 +586.2501 9.0 +589.30524 32.0 +592.27816 14.0 +593.27977 96.0 +599.32208 8.0 +600.30356 7.0 +601.29895 8.0 +601.4046 10.0 +601.80773 8.0 +602.29718 13.0 +603.26613 10.0 +604.27119 44.0 +605.42906 8.0 +606.25744 8.0 +608.28694 11.0 +609.30497 32.0 +610.57791 10.0 +611.31226 10.0 +615.32935 10.0 +616.33528 12.0 +619.30836 8.0 +620.25586 13.0 +621.2927 119.0 +621.95646 11.0 +624.86066 9.0 +628.42499 9.0 +629.30261 9.0 +635.34113 11.0 +637.31685 12.0 +638.37484 9.0 +641.29659 9.0 +643.31156 9.0 +644.36236 7.0 +645.33258 9.0 +647.31194 46.0 +650.3777 7.0 +655.94475 11.0 +656.3214 10.0 +657.30811 23.0 +659.31686 8.0 +660.40911 9.0 +660.48752 10.0 +661.3556 11.0 +663.33657 44.0 +674.32744 10.0 +675.31892 55.0 +678.40255 308.0 +681.3649 9.0 +688.37146 10.0 +690.35407 11.0 +691.34409 27.0 +692.33189 90.0 +695.32223 9.0 +696.35884 9.0 +697.34576 7.0 +698.36132 7.0 +699.63634 10.0 +700.49013 10.0 +701.39513 22.0 +702.55461 8.0 +703.3352 9.0 +704.33714 29.0 +708.36092 46.0 +715.47532 30.0 +716.63684 8.0 +720.34121 9.0 +721.37155 12.0 +722.33122 46.0 +733.35878 8.0 +740.34363 10.0 +744.39245 8.0 +750.30811 7.0 +759.6444 7.0 +774.39895 9.0 +775.41812 7.0 +776.39388 7.0 +779.41189 8.0 +811.405 11.0 +812.41341 9.0 +822.39162 16.0 +823.38474 31.0 +825.48548 137.0 +839.40906 41.0 +875.41987 8.0 +893.45172 8.0 +922.49826 13.0 +939.52795 170.0 +1050.56708 18.0 +1068.57396 54.0 +1068.82801 8.0 +1069.57137 34.0 +1079.53688 12.0 +1088.60845 8.0 +1199.6135 84.0 +1204.66384 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 92, +MSn(526.2825), 64.1 min +PEPMASS=526.28246000000001 +CHARGE=2+ +199.116 16.0 +201.13945 10.0 +203.12459 13.0 +207.12697 18.0 +212.11025 56.0 +216.13689 11.0 +221.13867 53.0 +225.19174 13.0 +227.12182 17.0 +228.08443 11.0 +229.13161 37.0 +231.11687 17.0 +233.17902 180.0 +237.08115 10.0 +238.12652 27.0 +239.61061 14.0 +240.14385 32.0 +243.1449 24.0 +245.146 25.0 +246.13991 28.0 +249.14725 67.0 +251.09593 9.0 +252.11742 9.0 +255.06076 9.0 +255.1654 9.0 +258.05947 9.0 +260.20652 27.0 +261.16809 86.0 +263.1065 9.0 +263.17658 9.0 +265.12622 81.0 +267.1465 75.0 +270.12108 13.0 +274.12615 29.0 +276.08467 29.0 +277.12913 49.0 +282.15547 10.0 +283.14997 17.0 +283.26931 60.0 +286.1368 9.0 +288.14295 63.0 +293.14216 87.0 +295.07119 10.0 +298.14082 9.0 +299.11898 13.0 +303.12454 79.0 +303.63627 34.0 +304.12729 77.0 +306.15755 9.0 +310.15302 10.0 +312.12042 11.0 +313.13749 19.0 +314.12737 43.0 +316.19241 10.0 +316.63202 17.0 +317.1455 9.0 +319.15348 23.0 +324.08152 10.0 +324.16777 12.0 +325.19554 48.0 +325.63094 22.0 +327.15273 10.0 +328.14865 34.0 +331.13902 10.0 +332.12085 11.0 +334.1555 29.0 +337.13792 15.0 +338.13683 117.0 +340.51199 9.0 +341.65714 10.0 +348.63993 9.0 +351.17622 10.0 +354.18329 13.0 +354.67472 9.0 +355.15002 11.0 +355.81971 11.0 +360.16668 32.0 +361.28607 12.0 +362.1777 10.0 +365.1908 9.0 +367.18259 13.0 +368.13408 10.0 +369.19354 9.0 +371.18634 10.0 +372.45664 10.0 +373.17955 17.0 +373.29188 19.0 +374.28902 15.0 +375.69898 28.0 +377.227 21.0 +378.11614 25.0 +379.11839 62.0 +381.21896 11.0 +382.18338 25.0 +383.22031 41.0 +386.18966 13.0 +387.19814 10.0 +389.7758 9.0 +391.18377 11.0 +392.15672 9.0 +393.18466 9.0 +395.18426 13.0 +395.30102 13.0 +396.191 67.0 +397.30184 12.0 +405.13653 39.0 +406.21491 9.0 +407.12144 23.0 +407.21839 9.0 +408.20179 64.0 +410.19876 9.0 +412.22508 13.0 +412.52264 10.0 +413.16323 15.0 +414.17813 11.0 +415.19797 9.0 +417.19291 13.0 +418.7284 12.0 +421.20737 12.0 +422.22273 16.0 +423.14783 10.0 +424.21515 13.0 +425.20869 28.0 +426.22182 23.0 +427.18546 49.0 +432.22585 9.0 +432.31701 12.0 +434.20334 11.0 +435.17021 17.0 +435.73574 14.0 +436.16691 10.0 +439.17533 15.0 +440.2225 40.0 +440.99189 15.0 +445.21537 12.0 +454.28448 11.0 +457.14587 12.0 +460.17235 20.0 +461.20875 17.0 +462.20982 14.0 +463.22154 16.0 +464.2175 9.0 +465.20856 38.0 +467.17846 98.0 +473.20145 14.0 +474.20554 12.0 +476.22128 14.0 +477.19495 214.0 +478.19669 368.0 +482.25319 10.0 +483.25285 12.0 +483.82395 29.0 +484.21095 9.0 +485.34472 12.0 +486.23725 10.0 +488.17718 35.0 +490.25071 14.0 +491.23834 15.0 +492.25784 24.0 +493.25952 34.0 +494.26194 123.0 +495.77092 9.0 +496.1977 11.0 +501.22823 9.0 +502.21264 51.0 +502.34496 10.0 +502.86596 9.0 +504.19965 216.0 +505.37975 21.0 +506.19795 306.0 +510.24898 15.0 +511.25122 9.0 +512.26525 18.0 +518.22514 14.0 +519.23588 38.0 +520.23538 114.0 +522.33624 13.0 +523.2082 133.0 +524.20729 265.0 +524.47338 14.0 +526.41735 9.0 +526.45169 10.0 +527.41289 9.0 +531.21894 17.0 +532.22052 89.0 +534.258 101.0 +537.25235 48.0 +538.24894 120.0 +540.25784 9.0 +542.35649 10.0 +547.3279 18.0 +548.23911 13.0 +549.23803 68.0 +552.2716 95.0 +554.27672 50.0 +555.26336 157.0 +563.25614 9.0 +564.26104 9.0 +566.23656 14.0 +570.39929 9.0 +573.29157 14.0 +574.31253 31.0 +576.30603 9.0 +578.2708 27.0 +580.26729 64.0 +588.23128 44.0 +590.25092 10.0 +591.29339 11.0 +592.3029 27.0 +596.56897 12.0 +600.29317 10.0 +601.29524 34.0 +601.41529 19.0 +603.30512 22.0 +605.81855 10.0 +606.24413 41.0 +607.24731 140.0 +608.67519 9.0 +611.33657 21.0 +615.24305 10.0 +616.22911 39.0 +617.35906 9.0 +618.29222 20.0 +619.31956 78.0 +621.68995 12.0 +622.30181 14.0 +633.24473 27.0 +634.245 77.0 +635.24157 213.0 +638.30745 9.0 +640.28115 10.0 +643.32186 9.0 +647.34366 34.0 +652.27016 9.0 +653.35207 12.0 +654.32086 14.0 +655.34512 40.0 +661.2457 11.0 +664.34828 30.0 +684.32417 10.0 +685.31299 12.0 +692.36852 10.0 +698.30996 45.0 +701.32615 72.0 +702.43589 9.0 +711.36476 16.0 +717.33777 202.0 +731.30484 14.0 +732.34961 10.0 +733.39372 10.0 +747.3319 71.0 +749.3285 10.0 +750.40395 12.0 +765.34585 9.0 +776.24232 9.0 +791.42791 12.0 +830.44742 10.0 +860.40636 9.0 +END IONS +BEGIN IONS +TITLE=Cmpd 91, +MSn(496.2950), 64.1 min +PEPMASS=496.29496 +CHARGE=1+ +195.08785 226.0 +195.48195 12.0 +197.13805 163.0 +199.12184 105.0 +199.18921 186.0 +201.13485 677.0 +201.48392 12.0 +204.16385 10.0 +204.70106 15.0 +205.07291 20.0 +207.12065 17.0 +207.4838 10.0 +208.1142 12.0 +208.19164 12.0 +209.10432 28.0 +209.63155 16.0 +210.11648 18.0 +211.12207 32.0 +212.13737 11.0 +213.17097 459.0 +214.04462 10.0 +215.15075 894.0 +219.69771 10.0 +220.08986 12.0 +221.11613 15.0 +222.09969 34.0 +223.11343 19.0 +223.23017 11.0 +224.16918 17.0 +225.13461 131.0 +225.99381 10.0 +226.32406 24.0 +227.1736 130.0 +227.91813 12.0 +228.83722 11.0 +228.98854 10.0 +229.13094 2339.0 +229.27255 14.0 +229.50133 16.0 +229.73677 12.0 +230.62993 10.0 +231.16325 30.0 +233.16618 14.0 +235.11655 37.0 +237.11581 21.0 +238.12946 305.0 +239.17989 64.0 +241.16219 37.0 +242.19586 186.0 +242.96315 10.0 +243.14871 631.0 +243.58856 12.0 +245.19124 17.0 +246.16121 35.0 +247.12734 28.0 +249.17073 22.0 +252.18694 17.0 +253.12188 19.0 +253.22296 20.0 +254.25103 24.0 +256.14864 27.0 +258.96191 13.0 +259.233 10.0 +259.81752 35.0 +259.9215 13.0 +260.20792 1151.0 +266.12959 211.0 +266.55611 10.0 +269.20585 21.0 +269.70459 10.0 +270.18819 17.0 +271.41082 22.0 +273.09712 20.0 +276.17844 20.0 +278.18791 13.0 +279.19442 17.0 +280.1448 16.0 +280.21144 10.0 +281.16246 13.0 +283.15772 106.0 +283.27873 18.0 +284.1993 110.0 +284.85484 11.0 +287.16454 12.0 +287.95911 9.0 +290.11738 14.0 +292.2173 14.0 +294.11268 11.0 +294.8436 17.0 +295.01848 9.0 +296.21262 27.0 +297.19972 65.0 +299.15172 134.0 +300.24991 12.0 +301.22137 9.0 +302.61354 16.0 +306.1875 23.0 +307.17566 23.0 +310.21955 17.0 +311.16505 78.0 +314.19351 101.0 +320.17874 16.0 +320.78498 20.0 +321.19577 11.0 +322.18471 10.0 +323.22933 11.0 +323.47457 16.0 +324.20618 43.0 +325.09364 14.0 +325.19915 12.0 +326.21152 19.0 +327.2058 14.0 +328.22941 16.0 +332.20604 48.0 +333.20055 10.0 +336.18218 15.0 +338.22607 70.0 +340.22272 39.0 +342.21612 1667.0 +342.61343 12.0 +343.73715 10.0 +344.37244 15.0 +345.10782 14.0 +348.19613 17.0 +349.16121 12.0 +351.21453 38.0 +352.16094 10.0 +352.27782 36.0 +353.0218 10.0 +356.23327 147.0 +358.1875 15.0 +362.74902 12.0 +365.27059 10.0 +367.1894 32.0 +368.2247 11.0 +369.22684 269.0 +369.69335 23.0 +372.29505 15.0 +372.44465 11.0 +373.29631 535.0 +379.21862 25.0 +380.18012 18.0 +381.24357 9.0 +382.26207 24.0 +383.23653 18.0 +383.35884 14.0 +385.26355 87.0 +387.07835 10.0 +389.01347 17.0 +392.26773 14.0 +393.24798 10.0 +395.21219 16.0 +396.23039 11.0 +397.22005 262.0 +399.2679 15.0 +403.18249 13.0 +406.2526 26.0 +407.18205 10.0 +409.2893 13.0 +410.27186 22.0 +410.65053 17.0 +413.25436 195.0 +417.17827 11.0 +417.27622 9.0 +419.21901 24.0 +423.29231 12.0 +424.25335 11.0 +427.3008 95.0 +437.28267 11.0 +443.89094 10.0 +446.30789 11.0 +449.28746 12.0 +450.28652 25.0 +453.31678 18.0 +454.74308 22.0 +454.9661 10.0 +455.30111 167.0 +459.2599 11.0 +466.30102 19.0 +467.29713 25.0 +468.30082 95.0 +469.56387 10.0 +471.31165 11.0 +478.28189 38.0 +479.28623 17.0 +481.32023 13.0 +482.31536 30.0 +484.32932 591.0 +484.81153 23.0 +487.31798 9.0 +494.31495 31.0 +494.4856 10.0 +495.2854 23.0 +496.31297 117.0 +499.14566 10.0 +499.3486 9.0 +501.7981 11.0 +502.34235 911.0 +502.79798 9.0 +502.90883 9.0 +503.46902 14.0 +508.33494 13.0 +509.69045 11.0 +512.33693 14.0 +522.40146 11.0 +523.37286 10.0 +525.30188 9.0 +526.34858 37.0 +533.68531 10.0 +533.85875 11.0 +540.39427 20.0 +565.40242 20.0 +566.40938 13.0 +567.76994 13.0 +569.52959 18.0 +580.32994 12.0 +583.52442 11.0 +587.61145 15.0 +589.25021 12.0 +590.96235 10.0 +593.37223 10.0 +598.3438 11.0 +599.38978 24.0 +601.41426 828.0 +601.74529 12.0 +611.3977 19.0 +640.14743 12.0 +685.44048 10.0 +714.49803 141.0 +775.36517 13.0 +785.53607 26.0 +919.05974 12.0 +1798.97071 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 93, +MSn(784.4061), 64.1 min +PEPMASS=784.40606000000002 +CHARGE=2+ +201.12264 17.0 +207.12199 21.0 +208.21978 10.0 +219.12915 22.0 +227.12808 11.0 +228.12966 17.0 +229.12548 31.0 +233.17905 184.0 +235.12707 16.0 +238.13308 11.0 +243.14976 14.0 +244.11495 19.0 +245.13335 42.0 +249.16304 11.0 +258.16244 25.0 +260.21021 30.0 +261.16283 128.0 +269.19686 15.0 +270.12802 13.0 +272.15643 11.0 +273.16837 22.0 +274.13346 45.0 +283.16509 15.0 +284.16299 15.0 +284.22893 11.0 +285.12472 14.0 +286.15446 19.0 +288.1617 10.0 +289.13077 230.0 +289.82409 10.0 +292.13961 24.0 +293.13065 38.0 +300.16976 25.0 +306.16255 51.0 +306.38606 12.0 +308.14873 11.0 +312.16854 19.0 +316.15033 23.0 +318.18502 30.0 +325.18194 14.0 +327.1478 13.0 +329.19366 13.0 +330.19461 22.0 +331.14128 12.0 +332.20204 32.0 +334.15329 847.0 +340.18868 17.0 +341.20564 22.0 +342.20659 36.0 +346.1833 12.0 +348.18265 10.0 +355.16725 11.0 +358.17343 15.0 +360.20496 15.0 +361.21031 16.0 +362.1675 12.0 +363.18234 11.0 +365.20598 11.0 +369.22479 22.0 +373.29419 29.0 +376.19635 22.0 +377.22163 58.0 +382.2494 10.0 +387.21854 79.0 +389.14113 11.0 +391.18401 26.0 +397.21778 19.0 +398.21641 20.0 +399.18686 17.0 +402.22435 16.0 +403.18101 34.0 +405.21756 94.0 +408.20631 40.0 +413.25608 13.0 +414.22158 13.0 +416.22856 16.0 +417.24212 18.0 +418.23509 11.0 +419.24726 24.0 +425.22737 162.0 +432.2147 10.0 +433.22884 19.0 +434.20804 30.0 +436.22865 10.0 +444.22382 18.0 +445.22949 17.0 +447.23889 59.0 +456.21223 22.0 +457.19593 18.0 +458.24179 61.0 +461.19936 19.0 +464.81559 11.0 +467.27312 14.0 +468.27217 12.0 +472.30938 14.0 +473.30246 31.0 +475.24318 23.0 +476.259 52.0 +476.82165 10.0 +478.21313 48.0 +479.28452 39.0 +483.29145 13.0 +484.23451 31.0 +486.24894 58.0 +489.2812 25.0 +490.31881 34.0 +491.57948 12.0 +492.24168 13.0 +493.26736 18.0 +494.35003 10.0 +495.27488 103.0 +499.33362 33.0 +502.33183 74.0 +503.76058 23.0 +504.11824 11.0 +504.26637 202.0 +509.28137 11.0 +510.27487 10.0 +512.25427 24.0 +513.34937 12.0 +515.24407 10.0 +515.3288 11.0 +516.27831 36.0 +517.77323 17.0 +518.2756 123.0 +522.27119 58.0 +523.76981 39.0 +524.28361 151.0 +527.28745 13.0 +528.25305 26.0 +530.72351 12.0 +534.27539 55.0 +536.26544 45.0 +537.25992 95.0 +540.29963 16.0 +542.27425 97.0 +543.90861 10.0 +546.2623 56.0 +548.44025 14.0 +549.29019 26.0 +550.26165 28.0 +551.27143 70.0 +552.27809 61.0 +554.27584 512.0 +556.81086 14.0 +562.28216 37.0 +565.27283 11.0 +566.29711 13.0 +566.78694 12.0 +568.29352 79.0 +568.89082 17.0 +573.29054 118.0 +578.28826 11.0 +579.19989 17.0 +582.17007 10.0 +584.27508 13.0 +587.32423 14.0 +588.33271 33.0 +591.29054 105.0 +601.41938 70.0 +603.53063 15.0 +605.49064 12.0 +606.32086 15.0 +607.32161 55.0 +610.14099 15.0 +612.33053 11.0 +615.36693 12.0 +616.34261 12.0 +617.83403 52.0 +622.3442 14.0 +623.32524 12.0 +624.95446 10.0 +625.33889 76.0 +628.43716 21.0 +631.31594 12.0 +635.32555 11.0 +637.39039 12.0 +640.34157 11.0 +641.34541 17.0 +642.16561 13.0 +646.31855 10.0 +647.87773 18.0 +649.02638 11.0 +649.3543 13.0 +653.88949 11.0 +654.3593 11.0 +657.31635 10.0 +658.32962 12.0 +659.33741 42.0 +663.35579 64.0 +667.60687 10.0 +675.35297 25.0 +678.52026 18.0 +680.36754 11.0 +681.35339 57.0 +682.91169 19.0 +690.36972 15.0 +692.36874 26.0 +697.33939 61.0 +700.32703 71.0 +706.91598 11.0 +710.3682 23.0 +713.38398 12.0 +714.51661 15.0 +715.45904 11.0 +715.64553 11.0 +716.42422 13.0 +717.34902 1178.0 +722.36652 14.0 +727.86107 12.0 +730.94073 10.0 +738.38474 53.0 +747.2924 17.0 +750.37613 17.0 +765.4393 12.0 +768.41603 18.0 +775.39019 14.0 +775.89646 11.0 +781.49911 17.0 +783.56076 19.0 +784.46567 13.0 +785.54198 93.0 +787.39727 11.0 +788.50235 40.0 +792.47326 10.0 +793.38309 10.0 +797.43537 11.0 +807.44112 13.0 +812.43576 13.0 +813.40753 16.0 +830.43772 772.0 +851.45531 25.0 +860.4207 13.0 +894.43103 14.0 +900.4885 16.0 +922.89008 13.0 +951.50521 11.0 +977.50987 485.0 +997.63341 87.0 +1043.5392 13.0 +1046.53733 18.0 +1048.51652 10.0 +1063.65494 10.0 +1064.54663 420.0 +1065.83473 11.0 +1086.53215 15.0 +1103.5489 119.0 +1104.32076 11.0 +1118.43753 10.0 +1121.56855 1485.0 +1124.76527 15.0 +1125.40337 14.0 +1130.02422 13.0 +1216.65162 14.0 +1217.6521 20.0 +1234.66079 286.0 +1429.91609 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 94, +MSn(502.3430), 64.3 min +PEPMASS=502.34300000000002 +CHARGE=1+ +195.09269 250.0 +197.13426 151.0 +199.19319 277.0 +201.13504 965.0 +213.17085 877.0 +215.15388 1086.0 +225.13905 186.0 +227.18997 130.0 +229.13133 2871.0 +238.13582 321.0 +242.20223 154.0 +243.14998 773.0 +260.20998 1674.0 +266.12418 361.0 +284.2102 195.0 +324.20267 85.0 +342.21601 1808.0 +351.20576 80.0 +356.23173 85.0 +369.22724 356.0 +373.29376 821.0 +397.22567 215.0 +413.25376 151.0 +427.29926 96.0 +455.30099 194.0 +468.2993 58.0 +484.33281 570.0 +498.33687 64.0 +502.34176 1049.0 +601.41524 1009.0 +714.49056 168.0 +1047.77448 11.0 +1140.43831 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 95, +MSn(402.3708), 65.4 min +PEPMASS=402.37076999999999 +CHARGE=1+ +196.41443 5.0 +197.15287 6.0 +201.16498 12.0 +211.15682 6.0 +214.06989 5.0 +215.19055 7.0 +216.11915 5.0 +219.14594 6.0 +223.66459 5.0 +230.46369 5.0 +237.11489 5.0 +247.88795 6.0 +257.14465 9.0 +257.24027 9.0 +259.14966 6.0 +260.20774 8.0 +262.09473 6.0 +270.2532 7.0 +271.04507 6.0 +271.22524 7.0 +275.05817 9.0 +277.09759 5.0 +277.22495 6.0 +281.26002 27.0 +281.79268 9.0 +281.86865 7.0 +282.00555 5.0 +282.27341 9.0 +282.78387 8.0 +283.03931 13.0 +283.2756 4577.0 +283.60058 16.0 +283.70431 10.0 +283.80098 14.0 +283.94278 10.0 +284.06515 13.0 +284.50625 11.0 +284.75087 6.0 +284.91003 11.0 +285.07249 5.0 +285.19921 9.0 +286.10273 5.0 +286.29391 7.0 +287.23782 9.0 +289.25018 8.0 +291.1486 7.0 +293.19724 6.0 +295.13144 7.0 +296.30538 39.0 +297.30536 34.0 +299.10952 8.0 +300.15052 9.0 +302.13897 9.0 +307.57251 5.0 +311.30928 21.0 +312.29621 12.0 +312.41126 5.0 +322.16388 7.0 +326.42426 6.0 +327.09962 7.0 +340.36482 5.0 +355.34326 6.0 +357.05362 6.0 +366.54932 5.0 +367.63 6.0 +373.11005 40.0 +379.96568 9.0 +384.34962 6.0 +400.21726 8.0 +401.35311 7.0 +402.38608 13.0 +403.37081 11.0 +404.23634 7.0 +429.97724 9.0 +453.11432 12.0 +457.53717 7.0 +583.73765 7.0 +END IONS +BEGIN IONS +TITLE=Cmpd 96, +MSn(997.6291), 66.5 min +PEPMASS=997.62909000000002 +CHARGE=1+ +199.18806 6.0 +201.13255 8.0 +204.0969 7.0 +213.18046 9.0 +215.14451 8.0 +226.12771 6.0 +227.18167 8.0 +229.12922 68.0 +230.13895 7.0 +242.1966 13.0 +243.14136 13.0 +251.21142 7.0 +260.20918 76.0 +261.20726 12.0 +266.12411 8.0 +277.23074 9.0 +283.15686 16.0 +283.27417 18.0 +284.13921 16.0 +311.15551 9.0 +311.30707 9.0 +314.2228 8.0 +341.15047 7.0 +342.21685 110.0 +343.21901 23.0 +355.29446 6.0 +356.24032 6.0 +369.22599 166.0 +371.23372 9.0 +373.29421 329.0 +375.30339 9.0 +382.19367 8.0 +397.22208 534.0 +402.37089 16.0 +413.25297 14.0 +427.30046 10.0 +428.38151 9.0 +430.40725 7.0 +431.24012 6.0 +450.28451 9.0 +452.2502 7.0 +455.29588 40.0 +456.30876 18.0 +464.29986 7.0 +466.28625 14.0 +468.29853 429.0 +473.30505 9.0 +476.24307 12.0 +478.27933 16.0 +480.27514 9.0 +481.27057 9.0 +484.32829 116.0 +485.3337 30.0 +493.27301 7.0 +494.27694 38.0 +495.28059 18.0 +496.29428 2902.0 +496.73912 10.0 +496.98229 10.0 +501.31429 7.0 +502.34127 1000.0 +505.33871 9.0 +506.18907 9.0 +508.28437 13.0 +510.29342 7.0 +511.27097 8.0 +512.3088 7.0 +515.3438 14.0 +517.26703 12.0 +526.31566 16.0 +527.30967 7.0 +531.33647 14.0 +543.25511 8.0 +547.33491 9.0 +551.29418 9.0 +552.31013 9.0 +554.2887 8.0 +555.81068 16.0 +556.30274 7.0 +564.35162 9.0 +566.35201 7.0 +567.31913 9.0 +568.3779 13.0 +578.29373 9.0 +579.33565 14.0 +580.31997 8.0 +581.31608 13.0 +583.39541 15.0 +584.39754 11.0 +585.3211 7.0 +588.31702 9.0 +589.31283 14.0 +590.32227 7.0 +591.33611 11.0 +595.33905 7.0 +597.34557 43.0 +598.33437 16.0 +599.36794 7.0 +601.41291 342.0 +607.32853 43.0 +608.32591 16.0 +609.36931 7.0 +610.82907 8.0 +611.39088 8.0 +621.34784 14.0 +622.35894 9.0 +623.32853 44.0 +624.32957 16.0 +624.45077 7.0 +624.69177 12.0 +624.82535 8.0 +625.34268 3849.0 +625.84085 8.0 +625.97675 8.0 +633.36689 8.0 +639.41256 8.0 +640.3651 9.0 +665.39418 7.0 +676.39655 7.0 +678.38596 8.0 +684.39944 7.0 +692.42379 19.0 +693.41691 12.0 +701.37381 9.0 +706.91676 14.0 +710.42474 46.0 +711.43024 24.0 +712.42922 11.0 +714.50575 81.0 +715.4971 38.0 +716.5043 11.0 +720.4192 32.0 +721.41072 20.0 +722.42145 7.0 +729.42025 10.0 +736.40555 15.0 +737.4245 10.0 +738.43187 1469.0 +739.21435 9.0 +742.44518 8.0 +765.43475 7.0 +772.45301 7.0 +782.46271 10.0 +783.45248 8.0 +785.54171 51.0 +786.54262 23.0 +796.51546 7.0 +800.48703 7.0 +828.55259 7.0 +830.44854 6.0 +851.52214 95.0 +852.52502 47.0 +853.52769 10.0 +953.59144 11.0 +979.62038 42.0 +980.62636 21.0 +981.6358 7.0 +992.19789 9.0 +992.61576 8.0 +995.61637 100.0 +996.25067 8.0 +996.61882 68.0 +997.63074 10578.0 +999.31146 26.0 +1001.86362 8.0 +1002.64799 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 97, +MSn(402.3697), 68.1 min +PEPMASS=402.36964999999998 +CHARGE=1+ +195.05538 6.0 +197.14762 6.0 +199.16502 5.0 +203.18077 7.0 +207.226 7.0 +209.13624 11.0 +211.05091 5.0 +211.1574 8.0 +212.16711 5.0 +213.04178 6.0 +213.17173 7.0 +219.23275 7.0 +221.27553 7.0 +225.08373 7.0 +225.16303 8.0 +226.22811 6.0 +227.18396 10.0 +229.185 5.0 +237.07191 10.0 +238.05474 14.0 +239.04916 26.0 +239.19289 8.0 +240.06356 11.0 +241.06105 21.0 +243.17471 7.0 +243.36345 5.0 +245.07955 5.0 +247.18541 9.0 +247.2483 13.0 +253.06438 13.0 +254.07455 11.0 +255.08062 30.0 +256.06688 26.0 +257.06009 39.0 +257.22944 7.0 +258.08492 11.0 +259.06427 17.0 +259.23683 5.0 +270.07695 14.0 +271.07479 19.0 +271.21985 5.0 +272.0894 23.0 +273.09222 20.0 +274.07392 41.0 +274.65636 6.0 +275.0696 102.0 +275.24294 6.0 +277.23338 7.0 +279.09097 5.0 +281.11926 7.0 +281.25277 17.0 +281.87395 6.0 +281.97181 5.0 +282.10472 5.0 +283.05633 12.0 +283.27538 4929.0 +283.60489 15.0 +283.82064 13.0 +283.9385 11.0 +284.03623 8.0 +284.61686 5.0 +284.89721 6.0 +285.07362 5.0 +295.25781 5.0 +296.31144 16.0 +297.30801 36.0 +298.29687 9.0 +311.30992 34.0 +312.31433 5.0 +314.67819 5.0 +322.19319 5.0 +325.16887 6.0 +329.13498 6.0 +342.16587 5.0 +348.15823 13.0 +349.16358 19.0 +350.16052 7.0 +359.11523 6.0 +365.16931 6.0 +365.3311 18.0 +366.16992 12.0 +367.16947 21.0 +367.33625 7.0 +373.10249 51.0 +374.11322 12.0 +383.34548 19.0 +384.19277 6.0 +385.1763 8.0 +385.35301 7.0 +388.12968 6.0 +401.36334 29.0 +402.19978 11.0 +402.36264 35.0 +403.18898 10.0 +403.35478 6.0 +404.18794 9.0 +405.16019 7.0 +417.67485 5.0 +497.88539 6.0 +562.08328 6.0 +602.09443 6.0 +744.6583 6.0 +826.41032 9.0 +869.91044 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 98, +MSn(697.5373), 68.2 min +PEPMASS=697.53728000000001 +CHARGE=1+ +195.15309 20.0 +197.15958 14.0 +198.05899 12.0 +199.14301 16.0 +200.14843 12.0 +201.13258 57.0 +205.11346 12.0 +207.1537 40.0 +209.11807 13.0 +211.14626 175.0 +215.12451 12.0 +215.20021 12.0 +217.20903 17.0 +219.12595 23.0 +221.16482 18.0 +225.15789 21.0 +227.11039 15.0 +229.19083 14.0 +230.63036 19.0 +231.2217 27.0 +233.21169 16.0 +234.13446 12.0 +235.18619 34.0 +236.1383 20.0 +239.17611 15.0 +240.16409 18.0 +241.2061 54.0 +243.12219 13.0 +245.10333 18.0 +247.17665 11.0 +248.18053 13.0 +251.21229 28.0 +252.13207 13.0 +253.23903 17.0 +256.10734 17.0 +256.25329 14.0 +259.2138 118.0 +260.15119 11.0 +261.10578 62.0 +262.13698 72.0 +267.1267 12.0 +269.19766 12.0 +270.23651 11.0 +271.24 28.0 +275.06522 17.0 +277.22942 1277.0 +277.88544 12.0 +283.17895 12.0 +283.27799 90.0 +289.63534 13.0 +293.20582 22.0 +294.92134 15.0 +295.24026 2709.0 +295.48053 11.0 +295.73419 12.0 +295.95595 15.0 +296.05458 17.0 +297.39262 12.0 +300.81686 12.0 +309.14428 13.0 +309.28277 11.0 +310.29596 24.0 +311.30201 89.0 +311.67883 14.0 +313.06016 11.0 +313.1444 11.0 +313.24791 298.0 +323.26719 11.0 +327.31288 11.0 +328.17725 12.0 +333.21042 10.0 +341.15516 19.0 +342.0543 11.0 +345.1151 13.0 +348.31398 12.0 +350.15811 13.0 +355.19883 12.0 +356.22294 19.0 +361.22317 29.0 +362.20372 17.0 +363.32498 11.0 +365.23051 11.0 +366.26427 10.0 +373.28957 14.0 +375.14436 25.0 +376.14557 12.0 +378.49021 13.0 +382.22954 12.0 +385.18208 34.0 +391.16982 18.0 +397.20788 14.0 +398.15212 11.0 +401.21155 11.0 +402.20136 39.0 +403.19476 85.0 +408.90853 12.0 +409.02319 26.0 +411.07141 12.0 +411.31506 11.0 +415.22419 15.0 +416.77938 12.0 +417.24311 12.0 +422.28025 12.0 +432.25589 21.0 +433.23955 16.0 +435.39681 12.0 +436.99883 13.0 +444.2427 13.0 +446.24438 13.0 +450.21277 10.0 +453.25179 17.0 +453.34452 15.0 +458.17146 15.0 +466.26776 20.0 +468.81233 12.0 +469.87912 11.0 +473.21484 13.0 +473.77426 11.0 +475.24781 10.0 +477.36489 21.0 +478.22571 12.0 +479.22692 13.0 +480.22665 14.0 +481.39786 11.0 +484.18346 17.0 +485.17156 11.0 +486.19547 13.0 +490.26698 16.0 +491.26311 18.0 +492.27305 16.0 +494.2349 23.0 +497.27889 18.0 +503.28989 11.0 +504.04137 13.0 +504.72317 22.0 +508.29411 109.0 +517.39085 10.0 +517.77251 27.0 +518.11158 22.0 +518.25656 16.0 +519.18702 14.0 +519.89685 15.0 +521.27297 13.0 +522.21546 74.0 +524.32524 21.0 +526.26293 16.0 +531.35146 17.0 +532.39231 13.0 +534.28955 35.0 +543.29658 13.0 +544.26787 77.0 +547.32822 19.0 +549.72366 11.0 +553.51266 16.0 +554.21038 12.0 +556.26026 17.0 +558.35273 14.0 +559.28607 12.0 +561.29149 23.0 +568.79208 13.0 +576.28714 15.0 +578.325 13.0 +579.33362 190.0 +582.27749 19.0 +590.27438 16.0 +594.29997 25.0 +595.30386 15.0 +601.32601 10.0 +604.35733 15.0 +613.13679 16.0 +621.3749 13.0 +622.31199 11.0 +623.30876 13.0 +625.22177 15.0 +625.36111 14.0 +629.26899 12.0 +630.37264 11.0 +631.3167 24.0 +632.33175 15.0 +634.35305 15.0 +664.3402 15.0 +678.40295 78.0 +691.51548 11.0 +692.32529 23.0 +694.3338 23.0 +694.62877 14.0 +697.46704 36.0 +698.45967 13.0 +698.61659 16.0 +699.59917 19.0 +700.63346 11.0 +715.47072 20.0 +716.48473 11.0 +717.41547 14.0 +723.38318 12.0 +724.39125 11.0 +725.36874 11.0 +731.44237 11.0 +747.44199 15.0 +757.01993 18.0 +762.67311 11.0 +793.45836 15.0 +825.48356 11.0 +853.37952 12.0 +913.34764 12.0 +939.54245 12.0 +940.59163 18.0 +997.61475 15.0 +1048.61443 27.0 +1068.56652 10.0 +1079.56914 12.0 +1200.61475 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 99, +MSn(998.0480), 68.3 min +PEPMASS=998.04804999999999 +CHARGE=1+ +213.16888 47.0 +229.133 112.0 +243.19728 40.0 +277.22997 39.0 +284.13782 39.0 +342.20966 59.0 +369.2226 50.0 +373.29016 281.0 +397.22174 494.0 +455.31815 67.0 +468.29269 404.0 +484.33247 92.0 +496.29495 2401.0 +502.34258 804.0 +597.34935 55.0 +601.41736 182.0 +607.31821 64.0 +625.34293 3068.0 +714.52122 48.0 +730.32972 36.0 +738.43345 1029.0 +821.30939 38.0 +851.51836 79.0 +852.51682 40.0 +997.62906 7981.0 +1116.35428 21.0 +1175.45562 18.0 +1177.40355 19.0 +1440.39344 20.0 +END IONS +BEGIN IONS +TITLE=Cmpd 100, +MSn(997.6287), 68.6 min +PEPMASS=997.62873000000002 +CHARGE=1+ +213.16445 8.0 +215.14373 9.0 +218.20427 7.0 +227.11942 10.0 +229.13336 28.0 +241.11557 7.0 +242.20785 7.0 +243.15726 10.0 +251.21769 14.0 +256.13747 7.0 +260.21129 37.0 +261.21075 9.0 +267.14219 8.0 +269.22768 10.0 +269.67524 6.0 +277.23092 9.0 +283.16018 9.0 +283.27289 26.0 +295.24193 15.0 +299.27422 8.0 +303.1666 7.0 +309.28478 8.0 +311.16017 9.0 +311.30602 15.0 +313.25575 10.0 +314.20907 7.0 +338.19911 8.0 +339.1862 8.0 +342.21223 122.0 +356.23626 9.0 +359.1626 7.0 +369.22684 100.0 +370.34524 6.0 +372.13272 7.0 +373.29603 200.0 +395.20035 6.0 +397.22383 303.0 +397.41748 11.0 +401.19403 9.0 +401.34254 9.0 +402.19801 16.0 +402.36543 22.0 +403.1968 21.0 +403.36672 8.0 +405.19475 8.0 +415.25829 7.0 +426.24913 7.0 +428.37307 8.0 +430.40754 23.0 +439.2451 8.0 +441.21505 7.0 +441.339 9.0 +451.23155 8.0 +455.2995 32.0 +463.0109 7.0 +467.30196 8.0 +468.29986 240.0 +470.28801 9.0 +473.30831 14.0 +474.74924 8.0 +476.24669 6.0 +478.2716 14.0 +478.53913 6.0 +479.2833 7.0 +480.28306 10.0 +484.33066 64.0 +485.32137 22.0 +486.29993 6.0 +490.21909 7.0 +493.278 11.0 +494.26842 24.0 +495.29236 8.0 +495.82361 8.0 +496.2944 1803.0 +496.60727 7.0 +496.97262 9.0 +499.29696 9.0 +500.3047 8.0 +501.20892 8.0 +502.34116 659.0 +503.16278 7.0 +506.29231 8.0 +507.37471 7.0 +508.26398 13.0 +509.29337 8.0 +510.25748 15.0 +511.25945 10.0 +512.31337 7.0 +513.31012 9.0 +515.32535 10.0 +520.32117 9.0 +522.23244 7.0 +524.31252 10.0 +525.30479 7.0 +526.32317 18.0 +527.33851 7.0 +529.27313 8.0 +531.35046 32.0 +532.35091 19.0 +534.27812 6.0 +537.30078 7.0 +539.28008 7.0 +545.27169 7.0 +547.3441 22.0 +549.32792 7.0 +552.27722 7.0 +554.3164 7.0 +564.49824 8.0 +565.30493 8.0 +568.37024 12.0 +569.30008 11.0 +572.47233 8.0 +573.34668 9.0 +573.84701 6.0 +575.29385 11.0 +579.33724 12.0 +580.31525 9.0 +581.30328 8.0 +582.31527 14.0 +583.39877 11.0 +588.29852 11.0 +589.31074 10.0 +590.30794 7.0 +590.85164 7.0 +592.30886 12.0 +593.31852 8.0 +597.3461 30.0 +601.41023 220.0 +603.29501 7.0 +603.83239 7.0 +604.33577 9.0 +607.33311 23.0 +608.33343 10.0 +609.37213 9.0 +611.32474 8.0 +620.24317 7.0 +621.39002 8.0 +622.3048 7.0 +623.32977 29.0 +624.32803 7.0 +624.60906 7.0 +624.82727 9.0 +625.34266 2486.0 +625.84713 7.0 +626.06799 8.0 +626.90186 7.0 +629.32949 7.0 +633.36958 8.0 +635.33127 11.0 +639.35319 7.0 +640.33231 7.0 +641.33058 7.0 +642.3762 12.0 +642.92166 9.0 +653.38239 13.0 +653.88322 9.0 +654.38224 9.0 +664.32701 7.0 +667.38121 9.0 +668.34055 8.0 +671.37137 8.0 +672.32771 10.0 +674.3861 7.0 +675.37074 7.0 +677.32511 7.0 +678.39551 10.0 +679.38746 6.0 +682.40035 9.0 +688.32254 6.0 +692.4163 13.0 +693.40752 12.0 +694.40458 8.0 +701.40425 7.0 +703.40786 7.0 +707.41885 8.0 +707.89878 8.0 +710.4388 28.0 +710.87232 14.0 +711.41102 17.0 +714.50121 53.0 +715.49737 32.0 +716.48634 8.0 +719.35634 8.0 +720.41594 21.0 +722.43539 9.0 +723.37448 10.0 +734.46182 7.0 +738.43137 876.0 +741.46255 7.0 +771.43531 9.0 +785.54312 22.0 +786.53854 9.0 +787.5532 8.0 +788.26279 6.0 +796.47349 7.0 +813.50374 8.0 +817.43574 7.0 +851.51292 62.0 +852.51645 37.0 +953.5541 10.0 +966.58142 7.0 +979.61655 21.0 +980.61913 11.0 +995.61905 35.0 +996.26451 7.0 +996.61235 28.0 +996.80693 12.0 +997.05273 8.0 +997.63095 6382.0 +1000.31125 7.0 +1002.6379 16.0 +END IONS +BEGIN IONS +TITLE=Cmpd 101, +MSn(430.4013), 69.6 min +PEPMASS=430.40127000000001 +CHARGE=1+ +194.9321 10.0 +197.06866 8.0 +200.16004 18.0 +201.10049 6.0 +202.02252 7.0 +202.11979 11.0 +204.19636 10.0 +205.09696 11.0 +205.85661 6.0 +209.04605 6.0 +209.2017 18.0 +211.15702 16.0 +213.13017 17.0 +215.15185 12.0 +215.58059 6.0 +219.21935 8.0 +223.10171 12.0 +223.21319 10.0 +224.00971 13.0 +226.08235 12.0 +227.14501 8.0 +229.14547 9.0 +230.04868 9.0 +230.12724 18.0 +232.0939 6.0 +232.23794 10.0 +235.01026 12.0 +235.1341 6.0 +237.02026 8.0 +239.04869 12.0 +240.93971 7.0 +241.06845 8.0 +242.12546 10.0 +243.08419 14.0 +245.06472 10.0 +248.12626 6.0 +249.09312 6.0 +250.06821 11.0 +250.90088 6.0 +251.09842 8.0 +253.09625 10.0 +255.08786 7.0 +256.1359 8.0 +256.30787 8.0 +257.21704 11.0 +257.3241 6.0 +258.14081 12.0 +259.07026 7.0 +261.27087 8.0 +263.9629 7.0 +266.38907 13.0 +267.17089 10.0 +268.13755 6.0 +270.83609 11.0 +271.21727 23.0 +273.23141 7.0 +273.99181 8.0 +274.13779 6.0 +274.75129 7.0 +275.29267 6.0 +281.25221 9.0 +282.29378 13.0 +283.16478 6.0 +283.27451 56.0 +284.27985 9.0 +285.2682 11.0 +286.16185 8.0 +287.18741 13.0 +287.41565 12.0 +289.24002 7.0 +289.33415 6.0 +291.13264 9.0 +291.24453 6.0 +292.14149 8.0 +293.13815 6.0 +294.13408 10.0 +295.14155 13.0 +295.93675 7.0 +297.00572 8.0 +297.19733 14.0 +297.27943 6.0 +298.22076 11.0 +298.96559 7.0 +299.09262 10.0 +301.15073 7.0 +301.64291 12.0 +303.17359 7.0 +304.35621 13.0 +306.4929 14.0 +307.14582 24.0 +307.2755 15.0 +308.16527 18.0 +308.23571 7.0 +309.29156 768.0 +309.51273 6.0 +309.62668 9.0 +309.7071 9.0 +309.89937 12.0 +310.04814 6.0 +310.18115 6.0 +310.61586 10.0 +310.76786 6.0 +310.91862 12.0 +311.01715 17.0 +311.3064 4053.0 +311.79789 18.0 +311.92996 9.0 +312.11499 16.0 +312.56356 8.0 +312.96561 7.0 +313.7079 9.0 +314.87009 7.0 +315.18925 7.0 +315.3779 14.0 +316.3186 11.0 +318.17201 10.0 +318.27636 6.0 +318.86609 5.0 +322.08285 5.0 +323.09844 13.0 +323.43723 13.0 +324.09281 9.0 +324.3395 318.0 +324.65635 18.0 +324.92966 5.0 +325.16351 13.0 +327.10709 29.0 +328.1843 37.0 +329.19092 55.0 +329.29542 12.0 +329.63823 6.0 +330.19726 7.0 +330.56604 8.0 +336.17067 9.0 +336.74759 6.0 +340.18971 8.0 +341.102 15.0 +342.07024 6.0 +342.94199 8.0 +343.12931 7.0 +343.20287 6.0 +346.18131 29.0 +346.35434 11.0 +347.19182 11.0 +347.45171 12.0 +350.18397 8.0 +352.24539 7.0 +353.68104 8.0 +356.70965 7.0 +357.20912 10.0 +358.16076 6.0 +358.32111 6.0 +361.37642 8.0 +365.17781 5.0 +367.04599 8.0 +369.36099 6.0 +370.14886 7.0 +371.14057 15.0 +371.25009 12.0 +376.27847 6.0 +378.76007 21.0 +379.17741 8.0 +384.20608 6.0 +386.10924 6.0 +387.13064 8.0 +392.76479 9.0 +395.08829 16.0 +401.14306 7.0 +403.09474 6.0 +407.45518 26.0 +408.17645 10.0 +409.34832 6.0 +413.10149 24.0 +413.29368 7.0 +414.09237 22.0 +414.36278 7.0 +422.85399 7.0 +425.98177 6.0 +428.25909 11.0 +429.39921 25.0 +430.30153 9.0 +430.40475 22.0 +431.41707 7.0 +431.88394 6.0 +442.91524 7.0 +453.66927 7.0 +457.39821 6.0 +481.23307 9.0 +482.23317 9.0 +499.24707 6.0 +500.36746 12.0 +503.38797 6.0 +514.82829 6.0 +528.26268 7.0 +534.26975 7.0 +541.73402 9.0 +569.33077 6.0 +581.27547 9.0 +587.86646 11.0 +606.37552 6.0 +679.52916 7.0 +711.06821 23.0 +766.08987 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 102, +MSn(402.3691), 70.1 min +PEPMASS=402.36912000000001 +CHARGE=1+ +195.04001 6.0 +197.16164 8.0 +198.12784 5.0 +199.15839 25.0 +199.60068 6.0 +201.14498 18.0 +203.17855 7.0 +205.08905 8.0 +205.20622 13.0 +205.86964 6.0 +207.21183 14.0 +208.10821 8.0 +208.19548 6.0 +209.14355 8.0 +210.08976 8.0 +211.15262 13.0 +212.03819 5.0 +213.17101 23.0 +214.05884 9.0 +214.1388 9.0 +215.14755 8.0 +215.17571 10.0 +217.12955 7.0 +219.21943 24.0 +221.16576 18.0 +222.00018 5.0 +222.16936 5.0 +223.15632 5.0 +224.16176 6.0 +225.18127 15.0 +226.0584 10.0 +227.19472 9.0 +229.18538 16.0 +231.16116 8.0 +233.13958 5.0 +234.15048 6.0 +235.1853 9.0 +237.04573 8.0 +239.04509 10.0 +239.18737 10.0 +241.08752 5.0 +241.19163 11.0 +243.21011 8.0 +244.2652 5.0 +245.23964 17.0 +246.16933 7.0 +247.25326 19.0 +249.08314 5.0 +249.19123 11.0 +250.07603 5.0 +251.23072 6.0 +252.95222 5.0 +253.05907 8.0 +253.20739 25.0 +254.21109 6.0 +255.07422 8.0 +255.2269 27.0 +256.38918 9.0 +257.05336 11.0 +257.23117 11.0 +258.08636 7.0 +259.07641 25.0 +259.21122 21.0 +260.22568 6.0 +261.03255 6.0 +261.18366 5.0 +262.11876 5.0 +263.24432 5.0 +263.56618 6.0 +265.07407 10.0 +266.03685 5.0 +269.13807 6.0 +270.08153 7.0 +270.27549 7.0 +272.2102 6.0 +273.25116 5.0 +274.0814 9.0 +274.45587 5.0 +275.06754 28.0 +275.24642 11.0 +277.23236 87.0 +281.8066 9.0 +282.03058 6.0 +282.1476 5.0 +282.30197 5.0 +282.47428 7.0 +282.92386 14.0 +283.04755 18.0 +283.27567 5016.0 +283.56513 15.0 +283.73625 15.0 +283.8791 16.0 +284.08776 16.0 +284.48914 9.0 +284.81625 8.0 +284.9497 6.0 +285.13212 22.0 +286.28248 9.0 +287.20809 6.0 +287.28596 9.0 +288.19781 6.0 +289.22985 7.0 +291.01188 6.0 +294.70624 7.0 +295.23956 19.0 +296.30455 55.0 +297.30861 50.0 +298.77334 7.0 +299.28648 5.0 +300.15995 12.0 +301.16591 9.0 +301.26223 16.0 +301.72654 7.0 +301.87585 6.0 +309.33632 5.0 +310.31018 6.0 +311.30811 54.0 +312.04293 6.0 +312.31048 15.0 +313.13876 5.0 +313.22854 5.0 +313.32076 7.0 +313.43945 6.0 +316.23949 6.0 +318.30284 5.0 +320.15761 7.0 +321.20354 5.0 +323.18108 9.0 +323.29371 13.0 +325.30829 6.0 +327.19766 7.0 +328.11152 6.0 +332.18725 6.0 +334.27138 7.0 +339.35208 5.0 +341.29537 26.0 +342.28456 14.0 +345.29824 5.0 +348.16138 8.0 +349.16067 17.0 +355.10291 8.0 +355.31229 9.0 +356.11579 6.0 +357.10134 6.0 +360.11317 7.0 +361.31474 5.0 +364.41314 6.0 +365.33758 40.0 +366.33929 12.0 +367.15636 8.0 +367.34869 14.0 +368.1926 5.0 +369.27964 9.0 +373.10367 92.0 +375.10519 6.0 +382.30218 5.0 +382.41092 16.0 +383.34908 56.0 +384.34992 34.0 +385.25302 5.0 +385.35604 19.0 +386.38041 5.0 +388.13377 5.0 +401.35523 44.0 +402.24526 9.0 +402.36607 25.0 +403.14814 7.0 +403.35854 11.0 +404.2543 7.0 +406.38186 5.0 +473.33048 10.0 +483.02786 11.0 +500.30532 6.0 +612.48486 6.0 +648.4365 5.0 +END IONS +BEGIN IONS +TITLE=Cmpd 103, +MSn(640.6068), 70.3 min +PEPMASS=640.60684000000003 +CHARGE=1+ +197.13262 11.0 +199.16423 14.0 +203.10878 13.0 +205.20735 7.0 +213.12298 26.0 +217.11785 13.0 +225.19726 11.0 +226.10446 7.0 +227.13562 16.0 +228.14799 11.0 +230.05193 6.0 +230.26463 7.0 +231.14171 10.0 +231.1965 11.0 +233.17746 14.0 +235.13318 14.0 +239.24723 7.0 +240.24766 9.0 +241.19097 10.0 +241.71933 6.0 +244.0957 8.0 +245.10194 6.0 +246.15503 8.0 +248.06312 8.0 +248.24005 11.0 +249.16933 7.0 +250.08306 9.0 +253.12832 7.0 +254.05288 8.0 +255.06013 7.0 +255.24689 126.0 +261.16885 8.0 +263.19711 10.0 +267.18415 11.0 +269.24394 8.0 +269.99354 7.0 +270.28681 9.0 +271.22001 9.0 +275.20569 15.0 +277.22959 11.0 +281.25606 19.0 +282.01515 12.0 +282.27374 10.0 +283.0334 19.0 +283.11609 20.0 +283.27559 4213.0 +283.49753 13.0 +283.63871 14.0 +283.81906 14.0 +283.92188 8.0 +284.02055 7.0 +284.63648 8.0 +285.62474 7.0 +286.15423 10.0 +287.19383 7.0 +289.26305 10.0 +291.24532 9.0 +291.56947 8.0 +293.12478 8.0 +293.23616 6.0 +295.21982 13.0 +296.33357 8.0 +297.15494 7.0 +297.29107 19.0 +298.18827 7.0 +298.28863 7.0 +299.26058 11.0 +301.28475 7.0 +307.282 17.0 +309.29274 66.0 +310.30093 16.0 +311.15256 10.0 +311.30856 51.0 +312.30631 20.0 +313.28771 28.0 +314.17683 7.0 +315.18594 7.0 +319.16483 7.0 +323.1903 9.0 +326.31833 8.0 +327.18897 16.0 +328.21354 7.0 +329.17249 9.0 +331.215 9.0 +337.03312 14.0 +337.20281 7.0 +337.70157 7.0 +340.33319 10.0 +341.11948 6.0 +341.23735 9.0 +342.26948 9.0 +343.24616 8.0 +346.1662 12.0 +347.30002 6.0 +347.47576 7.0 +352.33546 8.0 +353.10803 11.0 +355.25983 7.0 +355.44147 10.0 +362.20963 8.0 +365.0061 10.0 +365.19516 8.0 +367.17201 12.0 +367.34744 12.0 +369.26059 8.0 +369.35858 9.0 +370.22203 9.0 +371.21854 10.0 +375.18238 8.0 +377.17708 8.0 +380.29247 7.0 +382.17087 10.0 +383.25906 12.0 +384.18476 12.0 +384.32013 8.0 +385.18211 12.0 +386.18024 10.0 +387.23878 11.0 +393.08459 6.0 +394.1303 7.0 +402.2056 7.0 +403.19199 21.0 +404.17626 6.0 +413.29847 8.0 +417.25589 7.0 +418.22365 9.0 +425.32986 15.0 +427.26255 6.0 +439.36121 13.0 +450.84452 7.0 +451.3503 12.0 +451.77329 6.0 +453.37631 46.0 +454.36061 12.0 +455.36102 12.0 +456.22596 6.0 +462.29497 9.0 +465.19283 7.0 +467.38956 32.0 +468.39859 14.0 +469.36921 13.0 +471.31657 8.0 +473.28296 8.0 +476.29175 7.0 +477.30013 7.0 +481.40621 15.0 +483.3962 9.0 +484.39383 7.0 +491.31583 8.0 +493.49474 8.0 +494.44315 14.0 +495.39045 14.0 +496.2927 8.0 +497.39828 8.0 +498.35787 8.0 +503.32651 8.0 +506.31994 7.0 +508.49967 6.0 +509.40952 9.0 +518.3617 8.0 +521.49728 7.0 +523.48685 8.0 +524.05828 8.0 +525.20767 23.0 +526.20741 7.0 +536.98411 7.0 +552.28861 8.0 +555.5354 7.0 +560.76024 11.0 +561.4137 24.0 +566.10815 7.0 +567.34362 7.0 +572.26618 11.0 +579.42782 11.0 +580.35821 7.0 +581.26728 25.0 +582.26881 9.0 +584.2902 7.0 +589.30368 14.0 +590.31099 11.0 +591.26526 7.0 +601.40678 9.0 +608.49066 8.0 +619.42809 7.0 +621.28589 6.0 +623.20157 7.0 +624.52913 11.0 +625.48631 13.0 +637.40809 7.0 +638.57916 27.0 +639.41506 17.0 +640.60933 434.0 +641.40214 13.0 +642.2314 7.0 +643.52685 16.0 +644.49964 17.0 +702.61861 7.0 +758.51978 9.0 +799.16323 8.0 +838.37325 8.0 +848.4681 7.0 +920.58841 18.0 +1049.64961 7.0 +END IONS +BEGIN IONS +TITLE=Cmpd 104, +MSn(666.6256), 71.1 min +PEPMASS=666.62562000000003 +CHARGE=1+ +199.15268 9.0 +201.14193 8.0 +203.15559 7.0 +205.13796 7.0 +208.1512 6.0 +209.14447 10.0 +210.99223 7.0 +213.12726 15.0 +215.15632 6.0 +219.18452 7.0 +221.15785 9.0 +223.14037 9.0 +226.04584 6.0 +226.12464 6.0 +226.24347 6.0 +227.14582 11.0 +228.15524 7.0 +229.15177 7.0 +230.2605 6.0 +233.10909 5.0 +233.20353 10.0 +237.11854 9.0 +237.22638 10.0 +239.24784 7.0 +240.25543 6.0 +241.21109 11.0 +245.23259 9.0 +247.23738 8.0 +249.18898 8.0 +251.05494 9.0 +251.20595 17.0 +254.26114 8.0 +255.23222 15.0 +256.27441 18.0 +257.22782 9.0 +259.26367 8.0 +261.05649 11.0 +261.21733 6.0 +264.27355 7.0 +265.17984 6.0 +267.17566 9.0 +269.26664 6.0 +271.14466 6.0 +272.2569 6.0 +274.14937 9.0 +275.21689 11.0 +277.22684 15.0 +279.23363 6.0 +280.1111 6.0 +280.27748 9.0 +281.2554 31.0 +281.7475 5.0 +281.85627 12.0 +281.99871 7.0 +282.20435 8.0 +282.988 16.0 +283.27549 5776.0 +283.59848 15.0 +283.71945 12.0 +283.73488 10.0 +283.81669 16.0 +283.9491 9.0 +284.47961 8.0 +284.68264 7.0 +284.74257 8.0 +284.95619 6.0 +285.88177 5.0 +286.09598 6.0 +295.24105 24.0 +296.27423 6.0 +297.26722 10.0 +299.27074 12.0 +301.14653 6.0 +303.17735 9.0 +307.27668 300.0 +307.81589 6.0 +307.93656 5.0 +308.61626 6.0 +308.925 11.0 +309.02159 15.0 +309.29255 4660.0 +309.58082 9.0 +309.76031 21.0 +309.88393 12.0 +309.97181 12.0 +310.14261 9.0 +310.65214 7.0 +311.06855 6.0 +311.88822 6.0 +311.98745 6.0 +312.13901 6.0 +313.11498 8.0 +314.29505 6.0 +316.33404 6.0 +323.27536 6.0 +325.20166 6.0 +327.10252 15.0 +327.91281 6.0 +329.18948 18.0 +334.18315 9.0 +334.62029 6.0 +335.13505 9.0 +337.20152 13.0 +338.36776 7.0 +339.26805 7.0 +340.23443 6.0 +340.3514 6.0 +341.18397 10.0 +342.20241 6.0 +342.31427 6.0 +343.20841 8.0 +353.22624 7.0 +353.33078 7.0 +354.96892 6.0 +355.20418 12.0 +356.20689 8.0 +357.19431 7.0 +358.34563 12.0 +359.03403 11.0 +360.67803 5.0 +366.34305 8.0 +367.34188 6.0 +369.14607 11.0 +370.25054 7.0 +380.3363 6.0 +381.31784 6.0 +383.34226 18.0 +384.18151 13.0 +385.1903 27.0 +385.35029 17.0 +386.19039 7.0 +387.36578 7.0 +388.2352 6.0 +393.27558 8.0 +397.30414 12.0 +398.30786 7.0 +401.30994 6.0 +402.20405 10.0 +403.18947 9.0 +404.19934 5.0 +410.01767 6.0 +410.35514 9.0 +411.31405 14.0 +413.29231 9.0 +425.35013 6.0 +428.31137 11.0 +439.34549 10.0 +441.32335 9.0 +447.23998 7.0 +453.37492 8.0 +458.20269 5.0 +465.06494 6.0 +465.20294 6.0 +465.36609 5.0 +467.39368 10.0 +469.37835 7.0 +474.38097 5.0 +479.39223 9.0 +480.43194 8.0 +481.38749 8.0 +483.38943 6.0 +484.28167 7.0 +484.44433 7.0 +486.46884 6.0 +488.24667 6.0 +493.28815 6.0 +493.39965 8.0 +495.28044 24.0 +495.43111 7.0 +496.28648 29.0 +502.13474 7.0 +503.17982 6.0 +512.22134 6.0 +523.47007 9.0 +525.42235 6.0 +537.30386 6.0 +537.47948 5.0 +551.34584 11.0 +557.26281 5.0 +566.48715 9.0 +589.45349 12.0 +601.32019 7.0 +607.46255 6.0 +628.50299 8.0 +633.54414 7.0 +647.4954 7.0 +650.58487 10.0 +651.46415 8.0 +651.59721 8.0 +663.37921 11.0 +664.60564 68.0 +665.48234 16.0 +665.61246 33.0 +666.14358 7.0 +666.62533 1208.0 +669.24959 7.0 +670.24777 7.0 +671.46729 6.0 +672.6316 7.0 +684.85791 7.0 +703.9166 7.0 +728.36902 5.0 +841.03368 6.0 +848.45725 7.0 +END IONS +BEGIN IONS +TITLE=Cmpd 105, +MSn(692.6405), 71.2 min +PEPMASS=692.64048000000003 +CHARGE=1+ +197.15498 7.0 +199.14205 15.0 +200.08191 6.0 +201.15883 8.0 +205.14798 6.0 +207.1458 10.0 +209.21001 7.0 +210.15107 7.0 +211.13258 6.0 +214.27329 7.0 +215.18095 21.0 +217.12753 9.0 +217.20172 9.0 +218.17912 7.0 +219.14631 10.0 +219.21617 6.0 +223.18536 7.0 +225.20508 9.0 +227.20237 16.0 +230.25663 6.0 +231.16988 6.0 +232.18776 6.0 +233.15123 11.0 +235.22365 9.0 +237.16064 15.0 +239.17885 6.0 +240.06409 6.0 +245.12016 6.0 +245.23043 6.0 +251.05268 10.0 +251.20347 14.0 +252.24356 7.0 +253.2037 9.0 +255.2033 11.0 +256.2687 13.0 +257.23334 14.0 +258.28436 7.0 +259.20427 10.0 +261.18242 6.0 +263.24667 8.0 +265.22837 6.0 +267.20554 6.0 +268.27834 8.0 +269.19641 15.0 +273.19527 8.0 +276.15465 8.0 +277.22457 40.0 +279.10349 6.0 +279.22463 10.0 +280.26496 9.0 +282.29254 14.0 +283.27774 211.0 +285.23859 7.0 +286.16043 6.0 +291.21203 82.0 +293.21983 10.0 +294.23243 6.0 +295.23926 107.0 +296.13582 8.0 +297.25856 7.0 +299.19931 6.0 +299.29022 6.0 +301.23089 10.0 +302.14675 6.0 +302.32054 6.0 +303.16111 6.0 +303.27724 7.0 +305.17168 6.0 +307.27406 302.0 +309.04923 13.0 +309.29275 4201.0 +309.68693 13.0 +309.88525 10.0 +309.99953 11.0 +310.1166 7.0 +310.57272 7.0 +310.76326 8.0 +310.94198 6.0 +311.61773 7.0 +315.1996 7.0 +319.40098 6.0 +321.26283 8.0 +323.29763 6.0 +325.31366 14.0 +326.30967 18.0 +327.09898 16.0 +329.11678 7.0 +335.19078 9.0 +336.22381 7.0 +337.08837 6.0 +337.26373 21.0 +338.34312 6.0 +339.21303 10.0 +340.24026 8.0 +340.37143 6.0 +341.19441 7.0 +341.29841 7.0 +342.24407 7.0 +343.20053 9.0 +347.2041 6.0 +348.0695 6.0 +348.19771 6.0 +349.15767 10.0 +353.23529 9.0 +354.19992 8.0 +355.24615 6.0 +357.24225 8.0 +359.21109 6.0 +362.2269 7.0 +366.16737 13.0 +367.12981 39.0 +367.34933 8.0 +368.17021 18.0 +369.13559 13.0 +371.23952 6.0 +380.14438 6.0 +383.32718 7.0 +384.1859 21.0 +384.35293 10.0 +385.18069 44.0 +386.1889 10.0 +387.19924 8.0 +393.28549 7.0 +397.22679 7.0 +398.20454 7.0 +399.32574 9.0 +401.34916 6.0 +402.19741 10.0 +403.19429 16.0 +411.19983 13.0 +413.26929 11.0 +420.32641 6.0 +425.34906 7.0 +427.27188 6.0 +429.28113 6.0 +436.2689 7.0 +437.23147 6.0 +438.03511 8.0 +438.39031 9.0 +439.36521 9.0 +441.32588 6.0 +452.70812 6.0 +455.22753 7.0 +455.36743 7.0 +458.25752 6.0 +459.22426 6.0 +464.37281 6.0 +466.2649 6.0 +467.2809 7.0 +469.32572 8.0 +471.25022 7.0 +473.3026 6.0 +479.32589 8.0 +481.3937 10.0 +483.40019 6.0 +488.17324 8.0 +493.387 7.0 +494.43829 10.0 +495.26592 9.0 +496.29149 8.0 +499.39667 7.0 +504.1766 6.0 +508.4195 6.0 +509.37353 11.0 +510.13919 7.0 +512.44425 7.0 +514.07748 7.0 +515.35762 7.0 +518.82385 7.0 +523.44228 8.0 +525.20854 9.0 +526.38883 7.0 +528.50232 7.0 +531.35374 15.0 +538.67474 9.0 +539.32831 9.0 +539.46845 7.0 +547.35031 6.0 +548.2958 6.0 +566.31669 6.0 +568.43862 6.0 +569.88111 6.0 +577.25969 7.0 +579.38826 9.0 +581.263 18.0 +581.43864 7.0 +582.2544 6.0 +589.34971 6.0 +595.36727 7.0 +608.1853 9.0 +655.53865 7.0 +660.3442 6.0 +678.61052 6.0 +689.27497 8.0 +689.55579 6.0 +690.43352 6.0 +690.6221 44.0 +691.48198 15.0 +691.61646 31.0 +692.13402 7.0 +692.64004 703.0 +693.50402 33.0 +694.18636 8.0 +695.2902 8.0 +697.59219 9.0 +1090.66458 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 106, +MSn(666.6259), 71.3 min +PEPMASS=666.62582999999995 +CHARGE=1+ +199.11636 12.0 +203.09188 10.0 +203.18096 18.0 +207.12445 16.0 +208.1726 16.0 +209.16042 17.0 +210.20879 10.0 +211.15435 16.0 +212.18913 12.0 +212.25602 10.0 +213.12284 18.0 +215.16215 9.0 +219.21903 15.0 +221.20955 9.0 +223.17 13.0 +225.13891 11.0 +225.24192 9.0 +226.17635 10.0 +227.04531 9.0 +227.1389 37.0 +227.21494 26.0 +228.13766 12.0 +229.20684 10.0 +233.10379 10.0 +234.10219 10.0 +235.06188 8.0 +239.16389 23.0 +240.28232 9.0 +241.17415 9.0 +245.18977 8.0 +247.04212 10.0 +252.22636 12.0 +253.19078 11.0 +255.06215 10.0 +255.24016 13.0 +256.27316 27.0 +259.20748 9.0 +261.13552 13.0 +263.11355 12.0 +265.19317 18.0 +266.2569 12.0 +269.20511 10.0 +270.26216 10.0 +271.0693 18.0 +271.21292 19.0 +274.22428 9.0 +275.21731 12.0 +277.23218 20.0 +278.23278 11.0 +281.24921 30.0 +281.88347 13.0 +281.97343 14.0 +282.114 11.0 +282.21661 12.0 +282.27832 14.0 +282.70133 9.0 +282.99417 21.0 +283.08699 13.0 +283.27572 5965.0 +283.50409 21.0 +283.69097 14.0 +283.94897 29.0 +284.69427 14.0 +284.79923 15.0 +285.09355 9.0 +286.27294 10.0 +286.45899 11.0 +291.16747 10.0 +292.62799 8.0 +295.23401 27.0 +297.25916 17.0 +298.27934 12.0 +303.23198 10.0 +305.29916 11.0 +307.15975 11.0 +307.27473 135.0 +307.76496 12.0 +309.08737 16.0 +309.29289 5197.0 +309.6816 16.0 +310.00971 10.0 +310.07612 15.0 +310.47182 10.0 +313.08547 10.0 +314.28236 8.0 +315.20978 10.0 +316.15916 10.0 +322.31047 8.0 +323.3375 9.0 +325.2997 13.0 +326.16668 9.0 +327.09187 12.0 +327.2577 10.0 +328.20643 9.0 +334.13693 9.0 +336.20848 11.0 +337.19857 10.0 +339.19907 13.0 +343.88607 19.0 +351.17756 14.0 +356.23033 12.0 +359.04555 11.0 +359.26108 11.0 +363.24074 9.0 +363.72477 10.0 +366.82769 11.0 +367.16217 17.0 +367.41698 10.0 +367.80407 12.0 +369.22225 13.0 +370.34231 16.0 +371.24837 12.0 +380.36437 9.0 +380.90637 8.0 +383.23462 18.0 +383.35649 21.0 +384.1858 10.0 +384.34988 13.0 +384.67112 15.0 +385.18294 46.0 +385.34565 21.0 +386.05466 10.0 +386.38564 11.0 +392.12309 10.0 +394.08624 14.0 +394.27353 18.0 +397.31987 22.0 +399.16409 11.0 +401.35407 10.0 +402.27158 10.0 +403.1912 11.0 +403.28082 11.0 +406.44769 12.0 +409.28796 13.0 +411.32245 32.0 +413.34847 17.0 +418.18394 9.0 +423.339 15.0 +425.34329 15.0 +426.33778 14.0 +427.28781 12.0 +439.24647 12.0 +439.37427 13.0 +440.33603 9.0 +441.37307 16.0 +453.37359 21.0 +454.23362 9.0 +454.36903 11.0 +464.14516 9.0 +465.23522 10.0 +465.37597 12.0 +469.39115 19.0 +471.78954 10.0 +476.56487 10.0 +478.37111 9.0 +481.40423 40.0 +482.4015 11.0 +483.21433 11.0 +483.38136 17.0 +493.38543 14.0 +494.47395 9.0 +495.41429 21.0 +496.41809 21.0 +497.27078 13.0 +497.41228 9.0 +498.39746 12.0 +505.35696 10.0 +510.42537 9.0 +521.46393 11.0 +523.48238 12.0 +525.43198 9.0 +535.02087 23.0 +537.46112 13.0 +543.07046 9.0 +550.37234 8.0 +552.42681 9.0 +556.30107 10.0 +562.40423 12.0 +568.97165 13.0 +569.3367 13.0 +569.4778 9.0 +591.39364 11.0 +593.39624 8.0 +595.47006 10.0 +605.49662 9.0 +628.42423 10.0 +648.20149 10.0 +650.59606 10.0 +651.39446 15.0 +665.48171 18.0 +665.60791 15.0 +666.62707 1225.0 +667.22711 12.0 +667.89596 9.0 +670.2174 11.0 +670.40138 14.0 +671.246 10.0 +671.52219 21.0 +678.41018 9.0 +809.44849 10.0 +826.22017 12.0 +855.62486 9.0 +894.51285 16.0 +1012.6069 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 107, +MSn(692.6406), 72.0 min +PEPMASS=692.64057000000003 +CHARGE=1+ +195.1447 8.0 +199.14969 18.0 +201.11883 19.0 +202.18161 8.0 +203.17062 8.0 +207.13006 7.0 +209.14133 7.0 +213.12586 11.0 +215.15943 10.0 +217.15156 7.0 +219.14697 17.0 +219.21346 10.0 +221.19935 9.0 +222.1681 7.0 +223.16421 7.0 +225.16928 9.0 +227.1541 13.0 +229.12928 11.0 +230.11599 7.0 +231.17645 7.0 +233.18839 9.0 +235.17609 15.0 +239.14632 9.0 +241.20893 11.0 +243.11744 10.0 +243.22748 7.0 +245.14115 15.0 +245.67396 8.0 +246.24746 6.0 +247.75732 7.0 +249.18909 13.0 +251.22145 13.0 +253.22143 11.0 +255.24055 27.0 +256.2707 10.0 +257.05923 6.0 +257.24932 9.0 +261.20206 10.0 +264.28533 7.0 +265.1899 13.0 +269.25708 13.0 +270.26493 8.0 +271.24545 8.0 +273.19684 15.0 +275.17876 9.0 +277.22837 48.0 +278.09836 7.0 +278.23997 7.0 +279.24673 8.0 +280.27206 9.0 +281.25278 8.0 +282.28206 18.0 +283.11818 7.0 +283.27768 394.0 +284.16762 7.0 +284.42622 6.0 +291.20531 105.0 +292.29673 8.0 +295.23718 70.0 +296.2491 13.0 +297.28941 9.0 +297.81704 6.0 +299.26295 14.0 +301.2572 7.0 +303.28609 7.0 +304.28473 8.0 +306.22566 6.0 +307.27478 249.0 +307.73135 7.0 +308.16277 7.0 +308.83576 11.0 +309.04948 16.0 +309.29127 4489.0 +309.69556 14.0 +309.80718 14.0 +309.92384 14.0 +309.99922 12.0 +310.46956 9.0 +310.71997 8.0 +310.93739 11.0 +311.06263 8.0 +311.30572 1945.0 +311.79752 11.0 +311.91275 11.0 +312.08601 14.0 +312.92732 9.0 +313.06058 7.0 +314.29711 9.0 +317.21219 7.0 +319.30627 8.0 +321.22405 6.0 +321.32248 14.0 +322.31482 8.0 +323.27176 16.0 +324.1634 6.0 +325.29236 20.0 +326.30799 9.0 +327.16247 11.0 +327.29822 10.0 +328.25028 7.0 +334.17571 7.0 +335.17965 9.0 +336.19513 9.0 +337.28504 12.0 +338.33984 15.0 +339.30018 14.0 +343.19538 6.0 +344.22943 6.0 +346.20349 7.0 +347.27517 7.0 +351.3102 8.0 +353.2433 11.0 +354.21425 7.0 +355.20709 17.0 +355.29855 9.0 +361.29748 8.0 +367.12474 35.0 +367.32233 7.0 +368.14133 9.0 +368.31785 11.0 +369.14676 27.0 +370.23477 7.0 +370.31764 9.0 +378.32315 11.0 +383.34476 21.0 +384.17931 20.0 +384.36998 7.0 +385.18332 59.0 +385.35117 8.0 +386.17748 16.0 +387.33675 9.0 +397.30973 7.0 +401.34516 14.0 +402.18633 11.0 +403.18878 14.0 +411.19411 13.0 +411.33481 22.0 +412.34568 8.0 +413.27348 8.0 +424.24037 7.0 +425.34002 21.0 +425.67098 7.0 +426.34663 12.0 +427.33302 7.0 +437.33598 7.0 +439.37618 16.0 +440.35104 11.0 +441.32482 14.0 +452.35428 6.0 +453.27905 8.0 +453.37621 14.0 +454.36501 9.0 +455.21136 9.0 +455.33744 8.0 +467.39317 11.0 +469.35007 9.0 +471.34619 6.0 +481.40949 8.0 +487.28551 9.0 +495.31444 9.0 +495.45028 8.0 +502.13196 11.0 +509.42001 9.0 +523.35699 7.0 +523.49057 11.0 +525.19813 10.0 +535.46273 8.0 +537.47521 14.0 +539.466 7.0 +541.25037 6.0 +541.41614 7.0 +548.20102 9.0 +549.48857 11.0 +551.49999 14.0 +552.51668 6.0 +553.33288 9.0 +565.49951 11.0 +566.48361 7.0 +579.33248 7.0 +579.5291 7.0 +581.2607 19.0 +582.26605 12.0 +583.88481 7.0 +597.93828 8.0 +601.42167 8.0 +619.43472 6.0 +628.44092 7.0 +639.94764 7.0 +642.37295 10.0 +662.44818 8.0 +662.54125 7.0 +667.23347 9.0 +673.49624 7.0 +674.58554 10.0 +676.63175 7.0 +679.51399 7.0 +690.61001 14.0 +691.37565 10.0 +691.60656 17.0 +692.64323 409.0 +693.34327 9.0 +694.21763 7.0 +694.64671 571.0 +697.20515 9.0 +741.01568 6.0 +748.75244 7.0 +896.36514 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 108, +MSn(694.6496), 72.7 min +PEPMASS=694.64962000000003 +CHARGE=1+ +283.27619 422.0 +295.23489 85.0 +308.28408 61.0 +309.29209 3843.0 +311.30604 2526.0 +367.12047 38.0 +383.23778 38.0 +384.21682 46.0 +385.17986 40.0 +426.35187 38.0 +467.38945 53.0 +481.51125 36.0 +509.49141 60.0 +523.44445 45.0 +550.46731 32.0 +551.49551 74.0 +555.24866 36.0 +581.26372 46.0 +581.80796 33.0 +692.6411 344.0 +694.65639 622.0 +698.57644 56.0 +906.28861 17.0 +1156.88751 17.0 +END IONS +BEGIN IONS +TITLE=Cmpd 109, +MSn(669.2484), 72.9 min +PEPMASS=669.64239999999995 +CHARGE=1+ +199.15031 15.0 +203.10915 16.0 +203.18822 10.0 +205.20801 18.0 +207.15007 12.0 +207.22842 10.0 +211.14538 17.0 +213.14313 10.0 +215.1473 11.0 +217.21137 9.0 +219.13065 8.0 +219.22069 11.0 +223.21081 8.0 +224.81074 9.0 +227.14069 45.0 +230.1501 7.0 +233.21393 13.0 +239.2023 10.0 +240.19303 9.0 +241.20842 13.0 +245.15237 9.0 +245.22529 9.0 +247.25909 14.0 +249.20624 11.0 +251.21517 12.0 +254.24348 9.0 +255.07418 8.0 +255.23727 20.0 +256.27322 17.0 +257.05947 13.0 +257.23838 12.0 +259.11822 11.0 +263.21491 9.0 +264.27409 18.0 +265.25548 11.0 +269.25523 20.0 +271.22942 13.0 +272.26347 10.0 +273.19552 7.0 +277.23741 16.0 +278.24691 12.0 +280.24383 9.0 +281.26027 10.0 +281.97768 8.0 +282.12999 18.0 +282.26507 10.0 +282.62656 9.0 +283.00351 28.0 +283.09058 25.0 +283.27543 9174.0 +283.63151 26.0 +283.74103 22.0 +283.92029 19.0 +284.0274 18.0 +284.08661 16.0 +284.60353 10.0 +284.74141 10.0 +289.17028 9.0 +291.22398 8.0 +293.22061 8.0 +294.18938 8.0 +295.23896 50.0 +297.0948 8.0 +297.28487 16.0 +299.08831 9.0 +299.27382 23.0 +300.08277 9.0 +307.27826 75.0 +307.6967 10.0 +308.28103 43.0 +308.66849 9.0 +309.01157 18.0 +309.04906 17.0 +309.29128 5326.0 +309.53607 13.0 +309.69931 17.0 +309.8143 18.0 +309.93008 15.0 +310.04463 17.0 +310.66066 11.0 +310.87721 8.0 +310.9834 16.0 +311.08009 10.0 +311.30608 2955.0 +311.68922 14.0 +311.9003 13.0 +312.11429 11.0 +312.66053 9.0 +312.79864 9.0 +316.02228 7.0 +317.1342 10.0 +327.09558 18.0 +327.28898 14.0 +336.17193 11.0 +337.2723 10.0 +339.31496 9.0 +340.30005 9.0 +341.28167 9.0 +342.28748 10.0 +347.21324 8.0 +350.16061 10.0 +352.2326 10.0 +353.32336 8.0 +355.21926 30.0 +356.17448 8.0 +358.33883 21.0 +359.04733 10.0 +367.17229 18.0 +367.26268 12.0 +367.35485 10.0 +369.22126 12.0 +370.34087 11.0 +371.23812 9.0 +379.24634 8.0 +383.34184 41.0 +384.19138 39.0 +384.35722 30.0 +385.18084 67.0 +385.35814 18.0 +386.17962 18.0 +387.19056 18.0 +397.30067 28.0 +398.30654 13.0 +399.31178 11.0 +402.20073 9.0 +404.23506 8.0 +410.34671 13.0 +411.29901 22.0 +412.06531 10.0 +412.39304 9.0 +413.30581 13.0 +415.24729 11.0 +425.14331 8.0 +425.34581 22.0 +426.33602 10.0 +427.32369 14.0 +430.3003 8.0 +437.38594 7.0 +438.36082 8.0 +439.36054 15.0 +440.36823 12.0 +441.41044 9.0 +443.28269 8.0 +451.32977 9.0 +453.37004 33.0 +454.37155 20.0 +465.43988 8.0 +467.37965 12.0 +468.39104 10.0 +469.36485 9.0 +470.40749 8.0 +481.41155 24.0 +482.96095 9.0 +483.38418 26.0 +493.40682 10.0 +494.42141 8.0 +495.41777 18.0 +496.28717 16.0 +496.42832 16.0 +497.38692 12.0 +499.35164 9.0 +506.37034 8.0 +508.4812 14.0 +509.45039 15.0 +511.41238 13.0 +512.41469 9.0 +512.52637 10.0 +519.50663 8.0 +521.46607 11.0 +523.4642 31.0 +523.58632 11.0 +524.48541 14.0 +525.43802 9.0 +529.42236 8.0 +530.11182 10.0 +535.48477 13.0 +537.47545 22.0 +538.47911 13.0 +539.4533 10.0 +550.2936 8.0 +551.48691 24.0 +552.53272 9.0 +589.46334 9.0 +592.35533 11.0 +610.49692 8.0 +631.53375 8.0 +650.58521 11.0 +651.4028 9.0 +651.57231 24.0 +652.5738 11.0 +653.57132 8.0 +654.59182 8.0 +665.59875 31.0 +666.62673 1063.0 +667.10099 7.0 +667.32274 13.0 +668.63815 918.0 +671.25594 9.0 +671.52078 21.0 +671.98462 9.0 +672.18219 10.0 +672.56666 19.0 +673.52601 14.0 +734.90734 8.0 +744.56562 8.0 +END IONS +BEGIN IONS +TITLE=Cmpd 110, +MSn(640.6080), 73.0 min +PEPMASS=640.60805000000005 +CHARGE=1+ +213.13034 25.0 +215.14006 21.0 +227.14432 25.0 +237.12897 30.0 +255.24685 135.0 +256.25594 71.0 +257.26775 21.0 +277.21709 21.0 +281.25649 26.0 +281.75626 20.0 +282.09743 17.0 +282.28446 31.0 +283.04704 55.0 +283.27611 18247.0 +283.70399 39.0 +283.94117 34.0 +284.03518 32.0 +284.54658 15.0 +284.85321 18.0 +295.2395 28.0 +299.26972 19.0 +309.28851 109.0 +310.31196 18.0 +311.19184 16.0 +311.30796 211.0 +312.31019 46.0 +313.28449 41.0 +327.1938 27.0 +327.31154 18.0 +355.20909 18.0 +358.34574 36.0 +368.35274 15.0 +369.24541 25.0 +383.32231 23.0 +384.18731 27.0 +385.18578 84.0 +386.197 16.0 +425.34201 41.0 +451.35857 20.0 +453.37354 54.0 +454.3669 29.0 +455.36487 20.0 +467.3971 64.0 +468.38363 25.0 +481.40478 30.0 +483.39115 20.0 +494.46991 16.0 +495.44472 38.0 +497.40238 29.0 +508.49191 17.0 +525.20477 20.0 +561.41034 31.0 +581.26576 46.0 +582.26194 21.0 +625.54501 17.0 +637.48404 18.0 +638.60215 26.0 +639.55993 21.0 +640.60988 1863.0 +643.49212 20.0 +644.51818 28.0 +END IONS +BEGIN IONS +TITLE=Cmpd 111, +MSn(668.6400), 73.4 min +PEPMASS=668.63995999999997 +CHARGE=1+ +195.1461 11.0 +197.1511 10.0 +199.14989 22.0 +201.13206 16.0 +202.06405 9.0 +205.20899 10.0 +206.66192 9.0 +211.1558 16.0 +213.1248 25.0 +214.99582 12.0 +215.14456 11.0 +219.2146 29.0 +221.20455 10.0 +223.21394 11.0 +227.14263 39.0 +233.20517 13.0 +235.0333 10.0 +237.23251 13.0 +239.11041 11.0 +239.24256 9.0 +241.16199 13.0 +247.18707 12.0 +247.25543 13.0 +249.16055 11.0 +251.20034 14.0 +252.19886 11.0 +253.21658 21.0 +254.25461 11.0 +255.23134 12.0 +256.27054 53.0 +257.24734 13.0 +261.23021 10.0 +263.23579 10.0 +264.28719 22.0 +269.24795 29.0 +270.25928 15.0 +271.15248 12.0 +271.23942 11.0 +273.1995 18.0 +277.22502 18.0 +279.21252 11.0 +281.2587 30.0 +281.83072 10.0 +281.97157 11.0 +282.13932 13.0 +282.27517 23.0 +283.01782 28.0 +283.27543 10940.0 +283.64936 28.0 +283.87593 20.0 +284.03646 25.0 +284.71466 13.0 +284.82328 10.0 +293.2218 12.0 +295.23487 30.0 +297.27053 16.0 +298.29153 17.0 +299.16781 13.0 +299.27397 13.0 +307.27493 333.0 +307.72144 11.0 +307.96017 9.0 +308.17607 13.0 +308.42204 9.0 +308.94704 14.0 +309.29092 5704.0 +309.64927 21.0 +309.83681 15.0 +309.97079 10.0 +310.07446 19.0 +310.53587 10.0 +310.67497 11.0 +310.95805 15.0 +311.30642 3743.0 +311.58839 13.0 +311.70453 11.0 +311.90495 10.0 +312.09578 14.0 +312.48127 13.0 +312.59378 10.0 +313.14064 10.0 +315.18966 13.0 +319.16953 10.0 +323.30606 14.0 +323.78574 9.0 +325.20197 12.0 +325.29104 10.0 +326.30025 17.0 +327.09126 22.0 +327.19927 16.0 +329.18407 12.0 +335.97809 10.0 +340.3261 17.0 +341.24641 14.0 +347.64285 10.0 +353.2602 11.0 +355.08973 11.0 +358.34389 25.0 +359.05017 10.0 +363.19942 10.0 +364.16991 12.0 +365.22714 12.0 +366.26669 14.0 +367.16617 9.0 +367.33192 11.0 +369.22647 15.0 +369.35291 14.0 +370.27098 13.0 +371.22842 14.0 +383.33691 67.0 +384.18836 37.0 +384.34829 35.0 +384.81784 9.0 +385.1869 49.0 +385.36481 10.0 +386.36462 12.0 +388.23241 9.0 +397.31856 43.0 +398.31908 22.0 +399.3199 11.0 +402.2008 11.0 +408.72146 10.0 +410.33667 20.0 +411.19206 11.0 +411.30951 27.0 +412.31259 11.0 +412.83847 9.0 +413.32825 14.0 +423.32887 14.0 +424.35126 10.0 +425.34263 30.0 +439.23719 25.0 +439.35066 12.0 +440.22287 15.0 +448.26703 11.0 +452.27755 10.0 +452.50174 10.0 +453.37702 27.0 +467.39222 13.0 +479.38554 16.0 +481.42282 19.0 +482.4202 10.0 +483.39082 28.0 +493.39452 12.0 +495.27959 48.0 +495.42836 22.0 +496.28245 78.0 +496.44369 10.0 +497.28854 26.0 +498.44487 11.0 +507.44037 12.0 +508.48734 14.0 +509.46862 30.0 +510.48481 10.0 +511.42576 16.0 +521.46119 18.0 +522.50396 15.0 +523.48174 49.0 +524.46527 16.0 +525.45619 10.0 +526.50528 14.0 +534.99266 15.0 +535.52661 11.0 +536.52239 15.0 +537.47649 46.0 +538.47876 17.0 +549.19277 9.0 +551.34535 14.0 +551.48993 15.0 +552.35464 24.0 +592.55973 9.0 +631.70765 11.0 +633.51412 11.0 +639.16507 10.0 +647.61514 15.0 +648.59403 13.0 +650.5772 14.0 +651.5438 18.0 +664.61119 54.0 +665.6038 40.0 +666.31605 11.0 +666.62618 1330.0 +666.94782 10.0 +667.40868 21.0 +668.63903 1085.0 +791.7325 10.0 +850.11989 9.0 +962.51647 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 112, +MSn(666.6268), 73.9 min +PEPMASS=666.62679000000003 +CHARGE=1+ +197.0607 11.0 +199.16841 18.0 +201.12867 12.0 +202.11905 10.0 +205.20173 13.0 +211.22022 9.0 +213.12251 27.0 +219.21822 10.0 +220.2036 9.0 +225.05251 13.0 +225.22446 16.0 +226.19971 11.0 +227.19787 17.0 +228.13934 11.0 +229.13089 9.0 +230.19374 11.0 +230.27843 13.0 +233.20908 10.0 +234.23629 10.0 +237.15877 18.0 +238.26226 10.0 +239.2165 12.0 +240.24748 14.0 +241.21144 27.0 +242.9015 10.0 +244.22989 10.0 +244.94925 13.0 +249.22079 10.0 +250.2668 11.0 +251.20168 22.0 +253.08958 16.0 +255.22784 17.0 +256.27382 48.0 +257.27174 12.0 +257.45833 11.0 +259.25687 15.0 +260.90474 12.0 +262.27202 12.0 +264.27786 53.0 +265.25646 14.0 +269.24891 25.0 +270.25603 23.0 +271.23693 14.0 +273.23758 11.0 +277.20039 14.0 +278.28716 18.0 +279.16478 16.0 +279.24976 12.0 +281.28 14.0 +281.79646 16.0 +281.90403 12.0 +282.2815 15.0 +282.38892 10.0 +282.91574 17.0 +283.27582 10299.0 +283.54279 34.0 +283.61906 28.0 +283.82822 27.0 +283.98197 21.0 +284.05406 21.0 +284.67069 12.0 +284.77744 11.0 +285.15455 11.0 +288.02709 11.0 +289.10115 11.0 +291.25303 9.0 +291.65123 10.0 +293.24606 16.0 +295.23088 14.0 +296.27777 11.0 +297.28365 23.0 +298.26753 13.0 +299.16838 15.0 +299.265 25.0 +305.15277 17.0 +307.27677 336.0 +307.86062 12.0 +309.01953 11.0 +309.29135 5681.0 +309.57307 16.0 +309.69035 26.0 +309.86913 17.0 +310.11582 11.0 +310.62251 16.0 +310.9066 14.0 +311.09567 21.0 +311.30655 3389.0 +311.57154 16.0 +311.86663 13.0 +312.07 12.0 +313.00579 12.0 +313.14569 10.0 +323.27241 22.0 +324.24733 15.0 +325.20041 17.0 +327.0948 25.0 +327.29201 15.0 +329.18849 12.0 +329.32762 11.0 +331.19901 10.0 +332.16234 17.0 +337.2216 9.0 +337.30211 12.0 +339.3012 20.0 +340.32689 17.0 +341.32826 10.0 +343.22062 10.0 +344.82429 9.0 +349.15075 10.0 +351.27901 18.0 +352.15005 10.0 +355.2478 17.0 +356.2414 10.0 +357.30837 11.0 +363.10001 18.0 +363.26621 14.0 +366.17843 18.0 +367.34097 9.0 +367.44654 9.0 +368.33915 10.0 +369.21795 16.0 +381.34169 9.0 +383.18323 23.0 +383.34055 76.0 +384.18163 20.0 +384.35705 22.0 +385.20235 36.0 +387.22289 11.0 +390.26693 10.0 +395.26689 10.0 +397.3132 23.0 +403.20415 10.0 +409.30567 21.0 +410.34805 16.0 +411.33618 61.0 +413.30256 25.0 +421.28155 10.0 +424.34834 10.0 +425.34753 18.0 +426.3394 31.0 +427.31743 20.0 +439.21488 110.0 +439.37124 21.0 +440.21079 25.0 +440.3449 17.0 +441.34243 20.0 +450.38401 11.0 +452.40997 10.0 +453.3726 38.0 +467.38427 14.0 +480.39651 19.0 +481.47856 10.0 +483.38453 11.0 +490.81058 15.0 +491.39295 17.0 +493.1103 19.0 +493.40896 27.0 +495.28413 715.0 +497.40156 16.0 +498.88057 11.0 +508.48416 24.0 +509.47723 24.0 +510.4715 12.0 +521.47682 24.0 +522.49898 15.0 +523.48367 79.0 +524.45422 16.0 +535.48246 26.0 +536.50902 11.0 +537.48543 45.0 +537.77889 29.0 +549.36432 10.0 +549.50968 12.0 +551.35052 142.0 +552.3482 70.0 +553.35928 22.0 +553.47415 11.0 +566.50634 11.0 +567.4749 11.0 +587.40635 13.0 +589.47355 9.0 +590.45397 11.0 +603.24498 15.0 +607.42117 31.0 +609.53399 10.0 +616.16862 18.0 +625.38632 11.0 +631.59506 13.0 +638.56008 10.0 +646.58788 20.0 +649.51772 14.0 +651.57304 11.0 +662.65286 12.0 +663.50217 24.0 +663.7023 15.0 +664.606 66.0 +665.28697 14.0 +665.60378 43.0 +666.62576 1212.0 +668.64274 969.0 +669.28018 10.0 +671.55909 13.0 +710.5333 10.0 +711.56023 16.0 +715.48451 16.0 +745.43779 9.0 +800.38484 11.0 +END IONS +BEGIN IONS +TITLE=Cmpd 113, +MSn(663.4825), 74.6 min +PEPMASS=663.48251000000005 +CHARGE=1+ +198.14104 13.0 +198.71648 10.0 +201.09482 10.0 +203.16201 11.0 +209.12737 9.0 +209.18951 9.0 +211.16438 12.0 +211.21792 12.0 +213.12893 12.0 +215.14457 8.0 +216.15018 7.0 +217.20874 13.0 +223.16059 10.0 +225.2309 20.0 +227.2023 13.0 +228.16027 12.0 +229.13274 11.0 +230.25631 12.0 +233.21498 9.0 +234.12438 8.0 +235.13756 10.0 +235.20091 9.0 +238.22474 9.0 +239.25237 10.0 +241.20616 8.0 +245.24085 11.0 +246.16597 9.0 +247.2487 13.0 +250.25354 22.0 +251.18543 8.0 +252.24509 9.0 +253.22437 13.0 +254.11774 8.0 +255.24079 57.0 +256.25859 24.0 +257.21565 8.0 +259.15208 8.0 +263.25024 11.0 +264.16707 10.0 +264.2812 45.0 +265.27329 16.0 +267.24278 10.0 +269.25469 41.0 +270.26974 13.0 +274.26391 9.0 +275.28441 10.0 +275.90025 13.0 +277.21773 14.0 +279.24801 14.0 +280.28307 14.0 +281.12854 8.0 +281.25735 37.0 +281.79848 8.0 +282.28859 9.0 +282.79629 9.0 +282.9209 18.0 +283.07858 15.0 +283.27562 4314.0 +283.6149 11.0 +283.82197 11.0 +283.97549 7.0 +284.10316 12.0 +287.21722 16.0 +289.19776 12.0 +290.13052 11.0 +292.20738 13.0 +295.23302 43.0 +296.24537 18.0 +297.28184 19.0 +304.26209 7.0 +306.17089 11.0 +307.27711 275.0 +308.93058 9.0 +309.11521 12.0 +309.29171 3427.0 +309.70431 21.0 +309.92988 10.0 +310.07639 8.0 +311.7821 9.0 +314.266 9.0 +327.09607 14.0 +327.19407 7.0 +328.10701 10.0 +329.29905 10.0 +331.22228 7.0 +334.28184 9.0 +335.1168 13.0 +335.30278 9.0 +336.18642 15.0 +339.30051 22.0 +342.33023 12.0 +347.20355 9.0 +350.23308 8.0 +350.36542 11.0 +351.24956 9.0 +352.33448 16.0 +353.2474 13.0 +354.15644 8.0 +355.20493 15.0 +357.22479 10.0 +359.05134 12.0 +363.17984 8.0 +364.23795 8.0 +365.30029 14.0 +366.33351 14.0 +367.34555 16.0 +370.29863 8.0 +371.2154 8.0 +373.00185 14.0 +378.2951 8.0 +379.24927 13.0 +380.35735 8.0 +383.15195 27.0 +383.34525 48.0 +384.28578 15.0 +385.18365 12.0 +385.27762 12.0 +389.2059 11.0 +390.05602 9.0 +395.23751 7.0 +397.30419 21.0 +398.35014 12.0 +399.33646 16.0 +405.37596 9.0 +409.29656 11.0 +410.34244 27.0 +411.32367 36.0 +412.29323 10.0 +414.28666 10.0 +414.63123 8.0 +423.32662 8.0 +424.35028 8.0 +425.37337 10.0 +429.25135 8.0 +439.22139 256.0 +442.08276 8.0 +450.23174 17.0 +451.42837 8.0 +453.37995 13.0 +455.12621 10.0 +460.16353 12.0 +467.39455 10.0 +473.22319 10.0 +489.34501 9.0 +489.68791 10.0 +490.28639 13.0 +493.39742 13.0 +494.4589 14.0 +494.97319 8.0 +495.28242 1699.0 +505.51307 8.0 +507.44056 17.0 +508.50653 20.0 +509.4593 18.0 +523.47441 25.0 +524.48408 9.0 +525.35111 8.0 +527.26314 13.0 +533.34358 11.0 +533.48426 10.0 +535.48859 41.0 +537.48469 22.0 +538.47514 14.0 +539.26584 7.0 +542.38625 7.0 +545.35245 8.0 +547.33891 9.0 +548.49201 13.0 +549.48984 13.0 +550.53193 9.0 +551.3495 778.0 +551.98093 10.0 +560.54272 14.0 +568.25989 8.0 +570.26819 13.0 +594.31531 8.0 +601.3702 8.0 +606.20871 8.0 +607.41227 73.0 +608.41651 36.0 +609.40976 10.0 +628.52344 12.0 +630.61655 7.0 +642.64818 17.0 +643.61448 12.0 +644.52495 8.0 +644.63147 9.0 +649.52659 13.0 +660.24754 13.0 +660.47435 14.0 +660.6187 12.0 +661.26395 8.0 +661.48817 32.0 +661.64055 20.0 +662.52516 20.0 +662.56756 18.0 +663.57271 36.0 +664.35211 11.0 +664.59902 131.0 +666.3572 9.0 +666.62659 835.0 +667.31458 11.0 +694.91038 9.0 +743.25991 10.0 +823.54981 14.0 +889.84957 8.0 +933.06852 13.0 +998.30992 12.0 +END IONS +BEGIN IONS +TITLE=Cmpd 114, +MSn(666.6262), 76.7 min +PEPMASS=666.62618999999995 +CHARGE=1+ +197.2834 19.0 +201.15709 12.0 +203.17998 10.0 +205.18998 9.0 +207.11705 18.0 +207.22908 17.0 +210.13567 8.0 +211.20866 9.0 +213.13623 10.0 +214.17735 9.0 +215.1857 14.0 +219.227 9.0 +221.17181 12.0 +223.12648 9.0 +223.20896 10.0 +225.04953 12.0 +225.15475 12.0 +225.22437 23.0 +226.239 21.0 +227.14633 50.0 +231.18592 10.0 +237.24378 11.0 +239.25703 27.0 +240.24165 18.0 +241.21141 23.0 +242.25348 9.0 +243.2063 18.0 +245.16355 10.0 +246.20014 9.0 +250.24763 9.0 +251.21661 11.0 +254.21431 9.0 +255.25508 17.0 +256.26866 20.0 +257.23547 12.0 +259.22502 17.0 +261.23749 12.0 +262.26872 9.0 +263.21209 14.0 +264.28577 23.0 +265.27447 10.0 +268.29349 15.0 +269.25034 27.0 +271.23007 14.0 +275.20353 10.0 +277.20763 12.0 +279.16136 9.0 +279.2441 11.0 +281.25988 38.0 +282.29806 22.0 +283.04829 27.0 +283.27605 5306.0 +283.51825 15.0 +283.74221 20.0 +283.91139 18.0 +284.0712 9.0 +286.02982 8.0 +287.20245 11.0 +287.74536 9.0 +290.38729 9.0 +295.24461 24.0 +296.30113 8.0 +297.27169 13.0 +299.08148 12.0 +299.27297 37.0 +303.27595 11.0 +306.8265 17.0 +307.17648 11.0 +307.2777 150.0 +307.43387 10.0 +307.73178 10.0 +308.88378 19.0 +308.98874 12.0 +309.03345 10.0 +309.06445 13.0 +309.29105 3480.0 +309.69914 13.0 +309.94642 9.0 +311.02084 11.0 +311.30637 1860.0 +311.65475 14.0 +311.79824 9.0 +312.5033 10.0 +313.02519 14.0 +314.24684 10.0 +315.22211 10.0 +318.25257 9.0 +320.26871 11.0 +323.28177 15.0 +325.29651 15.0 +326.27748 11.0 +327.08882 26.0 +327.22607 10.0 +329.05661 16.0 +335.23629 8.0 +339.2978 15.0 +341.03185 12.0 +341.31044 23.0 +342.27 11.0 +343.02777 10.0 +353.2106 11.0 +355.26223 12.0 +358.34262 10.0 +359.04134 22.0 +364.3026 12.0 +365.30386 9.0 +367.17275 9.0 +367.33982 14.0 +368.26303 9.0 +368.40192 11.0 +368.48426 8.0 +369.25584 9.0 +369.35864 9.0 +381.31445 15.0 +382.3206 8.0 +383.34057 139.0 +384.19387 9.0 +385.18702 16.0 +387.37995 16.0 +395.29809 8.0 +396.35351 10.0 +397.31042 29.0 +398.30875 18.0 +399.33795 15.0 +401.80886 14.0 +407.36559 8.0 +409.32567 10.0 +410.34075 40.0 +411.31817 157.0 +423.33308 9.0 +424.38708 9.0 +425.33974 49.0 +426.33863 11.0 +427.35263 14.0 +437.34597 9.0 +439.22599 15.0 +439.36096 50.0 +440.22559 45.0 +451.35514 11.0 +453.23146 14.0 +453.37794 43.0 +454.37998 21.0 +455.35715 8.0 +457.25671 12.0 +466.39696 14.0 +467.41409 18.0 +467.69335 12.0 +469.38246 10.0 +476.2511 13.0 +480.08607 11.0 +481.07062 13.0 +481.43207 30.0 +482.43432 11.0 +483.38427 17.0 +490.43491 10.0 +493.41647 9.0 +494.43208 10.0 +495.28695 111.0 +495.44623 25.0 +496.28891 230.0 +497.43799 16.0 +501.4263 12.0 +507.45356 9.0 +508.48737 27.0 +509.46844 58.0 +510.48338 20.0 +511.46608 13.0 +521.46758 17.0 +522.4844 11.0 +523.48565 119.0 +533.42416 10.0 +535.47772 16.0 +536.34545 8.0 +536.5498 15.0 +537.50089 170.0 +537.89748 9.0 +543.49711 9.0 +549.4818 8.0 +551.34964 31.0 +551.5161 43.0 +552.35374 115.0 +552.64885 19.0 +553.49727 8.0 +554.24088 12.0 +565.50421 14.0 +574.60707 9.0 +587.53181 15.0 +592.83179 9.0 +596.49628 8.0 +608.40388 13.0 +608.58712 12.0 +609.43991 9.0 +610.4127 10.0 +613.34402 10.0 +631.18491 9.0 +646.51639 11.0 +647.2133 8.0 +649.14422 17.0 +649.61279 13.0 +650.64191 23.0 +664.61173 41.0 +665.38041 11.0 +665.47615 10.0 +665.61253 15.0 +666.62711 1294.0 +667.19419 12.0 +668.25771 10.0 +671.53793 10.0 +673.00049 9.0 +789.01954 11.0 +1252.1214 15.0 +END IONS +BEGIN IONS +TITLE=Cmpd 115, +MSn(640.6064), 76.9 min +PEPMASS=640.60643000000005 +CHARGE=1+ +197.1633 9.0 +199.14208 9.0 +200.14251 10.0 +201.12267 9.0 +203.18147 11.0 +205.20383 7.0 +207.14287 7.0 +211.21386 17.0 +213.12644 34.0 +215.18456 8.0 +217.18421 8.0 +219.21871 14.0 +223.14215 6.0 +225.23968 12.0 +226.22219 14.0 +227.14266 16.0 +227.2012 13.0 +229.21207 8.0 +233.19758 13.0 +235.20011 11.0 +237.22617 9.0 +239.2484 11.0 +240.24744 13.0 +241.18317 8.0 +242.25972 10.0 +243.21898 19.0 +245.23943 10.0 +247.23955 8.0 +249.12718 10.0 +249.18087 8.0 +251.24816 14.0 +254.15896 7.0 +255.24219 107.0 +256.26635 29.0 +257.23553 12.0 +258.25653 8.0 +259.18122 6.0 +260.22307 7.0 +263.22598 9.0 +264.28247 10.0 +269.25623 27.0 +270.2578 13.0 +273.19896 12.0 +275.23022 8.0 +277.22937 8.0 +279.19087 8.0 +281.26127 33.0 +281.832 12.0 +281.98698 7.0 +282.2807 23.0 +282.77593 6.0 +283.00307 24.0 +283.09593 30.0 +283.2758 7273.0 +283.57859 14.0 +283.73128 21.0 +283.84854 11.0 +283.96596 11.0 +284.60602 10.0 +284.73783 10.0 +284.90428 6.0 +285.10219 11.0 +286.28704 7.0 +288.25138 9.0 +293.21164 7.0 +295.24413 28.0 +297.27293 19.0 +298.28291 13.0 +299.16585 10.0 +299.27441 20.0 +307.27686 16.0 +309.29201 237.0 +311.1718 8.0 +311.30651 118.0 +312.30472 19.0 +313.27829 44.0 +313.97525 9.0 +314.28346 13.0 +315.2477 8.0 +321.15948 9.0 +323.25205 9.0 +325.29032 12.0 +326.30603 7.0 +327.1101 7.0 +327.21177 23.0 +328.09297 6.0 +328.2013 9.0 +339.30709 13.0 +341.21388 13.0 +341.31462 12.0 +342.25934 7.0 +344.13011 6.0 +347.18421 6.0 +351.23163 7.0 +352.33758 7.0 +353.20978 8.0 +353.35072 7.0 +354.34954 17.0 +355.23831 9.0 +356.22789 6.0 +357.23511 6.0 +358.33677 7.0 +367.2218 15.0 +367.34892 16.0 +369.36308 16.0 +382.31735 13.0 +383.33944 111.0 +384.3404 49.0 +385.18122 14.0 +385.36093 10.0 +386.17955 7.0 +393.56571 7.0 +396.35554 6.0 +397.32421 26.0 +398.31053 10.0 +399.27073 6.0 +404.40347 9.0 +411.33095 33.0 +413.3389 9.0 +425.34323 41.0 +426.34589 6.0 +439.22426 10.0 +439.36582 22.0 +441.34478 7.0 +451.37135 12.0 +453.37438 71.0 +454.37804 16.0 +467.39406 63.0 +468.39308 27.0 +469.2869 7.0 +469.40214 10.0 +476.02353 9.0 +480.42001 6.0 +481.40926 25.0 +482.41854 11.0 +483.3901 16.0 +493.37824 6.0 +494.47506 6.0 +495.44715 50.0 +496.43439 11.0 +497.40867 38.0 +498.41175 13.0 +508.49457 16.0 +509.47646 78.0 +509.646 7.0 +510.33354 7.0 +510.4706 25.0 +511.41858 14.0 +511.73745 7.0 +523.48335 24.0 +524.48309 10.0 +525.18897 15.0 +530.248 8.0 +538.75753 7.0 +561.40611 15.0 +562.42354 7.0 +563.5236 17.0 +565.50326 7.0 +581.26422 15.0 +586.43342 11.0 +604.55742 9.0 +607.57958 7.0 +619.59443 7.0 +620.54961 12.0 +621.55643 8.0 +622.55724 9.0 +623.50829 10.0 +624.51678 9.0 +637.4022 12.0 +637.54037 12.0 +638.41838 6.0 +638.59705 26.0 +639.54998 24.0 +640.60619 817.0 +641.39827 35.0 +705.65602 8.0 +920.58741 10.0 +END IONS +BEGIN IONS +TITLE=Cmpd 116, +MSn(666.6259), 77.0 min +PEPMASS=666.62593000000004 +CHARGE=1+ +195.17384 10.0 +203.11575 7.0 +203.18997 9.0 +205.15525 7.0 +207.21412 6.0 +209.16791 7.0 +210.19671 7.0 +211.22032 18.0 +213.12468 8.0 +214.18043 11.0 +215.15381 13.0 +217.20258 14.0 +219.2115 17.0 +220.0526 7.0 +224.80833 8.0 +225.12602 7.0 +225.22821 8.0 +226.22911 8.0 +227.14599 21.0 +231.13521 8.0 +232.1722 6.0 +233.23981 13.0 +235.22184 11.0 +236.24574 9.0 +237.22726 15.0 +239.24427 23.0 +240.25448 8.0 +242.22445 6.0 +242.85707 6.0 +243.21579 9.0 +245.22678 10.0 +247.25064 18.0 +249.324 9.0 +251.23308 11.0 +252.25618 7.0 +253.08123 6.0 +253.18607 7.0 +255.24121 11.0 +256.26156 11.0 +257.18355 6.0 +257.24345 6.0 +262.25953 14.0 +263.23105 7.0 +264.28049 22.0 +265.20388 9.0 +265.29048 12.0 +266.25322 6.0 +269.24342 22.0 +270.26287 9.0 +271.26327 7.0 +272.25055 6.0 +278.28759 6.0 +281.06056 6.0 +281.27082 16.0 +281.93042 9.0 +282.28479 20.0 +282.86077 7.0 +283.02956 15.0 +283.27558 4832.0 +283.60839 15.0 +283.72819 11.0 +283.81584 14.0 +283.95118 12.0 +284.80831 7.0 +284.89547 7.0 +286.26898 6.0 +286.44242 6.0 +287.27384 9.0 +289.26085 8.0 +295.26713 9.0 +297.28107 17.0 +298.28152 9.0 +299.26798 20.0 +300.28279 7.0 +307.27795 183.0 +308.16584 8.0 +308.86152 8.0 +309.06875 13.0 +309.29119 2918.0 +309.58918 9.0 +309.74682 13.0 +309.96657 6.0 +310.06953 9.0 +310.65108 6.0 +310.85508 14.0 +311.0195 7.0 +311.30562 1233.0 +311.67967 7.0 +314.29142 8.0 +315.27099 7.0 +324.28917 6.0 +325.29224 9.0 +326.32 12.0 +327.08813 18.0 +327.19978 14.0 +327.29771 23.0 +331.18186 8.0 +333.29319 8.0 +336.20512 7.0 +339.30084 10.0 +340.32126 11.0 +344.11089 6.0 +344.27069 7.0 +353.26967 10.0 +355.27503 14.0 +358.34108 20.0 +359.03797 12.0 +365.31819 7.0 +367.34137 18.0 +369.36369 12.0 +370.3317 7.0 +371.55018 6.0 +380.34017 11.0 +382.34601 19.0 +383.34301 162.0 +384.17938 8.0 +394.31746 7.0 +395.31838 6.0 +395.4025 9.0 +396.17678 6.0 +396.32044 14.0 +397.31338 28.0 +398.3151 19.0 +402.85645 7.0 +409.30676 9.0 +410.35391 20.0 +411.32325 59.0 +412.33689 32.0 +413.28339 9.0 +415.23956 8.0 +423.32977 14.0 +425.34228 60.0 +426.34428 20.0 +427.30286 9.0 +428.3314 7.0 +438.41478 7.0 +439.2212 126.0 +439.35741 36.0 +440.35821 11.0 +441.22502 8.0 +451.35579 8.0 +453.37682 32.0 +455.36409 7.0 +467.39224 19.0 +469.38396 7.0 +479.38802 11.0 +481.43157 16.0 +482.42351 9.0 +483.41435 6.0 +486.4246 7.0 +490.43997 6.0 +491.27617 6.0 +493.41886 9.0 +494.46148 14.0 +495.28456 810.0 +495.82136 6.0 +498.30559 10.0 +501.26908 9.0 +502.57967 9.0 +508.494 15.0 +509.47505 38.0 +510.46915 13.0 +511.41435 10.0 +521.47054 8.0 +523.48624 79.0 +524.49627 17.0 +525.44832 9.0 +529.6326 9.0 +532.76394 8.0 +534.70832 6.0 +535.47674 13.0 +536.50607 10.0 +537.49946 168.0 +539.41536 8.0 +539.51599 10.0 +550.50824 9.0 +551.34674 298.0 +551.52417 27.0 +552.50588 15.0 +565.56512 6.0 +574.30248 7.0 +581.43837 7.0 +589.44671 11.0 +607.42034 33.0 +608.40337 16.0 +613.46486 7.0 +616.52152 6.0 +623.60316 6.0 +628.59277 10.0 +630.61625 6.0 +632.60539 7.0 +647.59502 9.0 +648.48782 10.0 +648.62421 10.0 +649.55487 10.0 +650.66757 6.0 +651.56008 11.0 +652.55494 16.0 +663.25675 7.0 +663.56082 11.0 +664.60856 46.0 +665.57787 19.0 +666.62814 1110.0 +668.06434 6.0 +668.34314 7.0 +670.4486 7.0 +670.82298 6.0 +671.53988 8.0 +715.91104 7.0 +961.66916 6.0 +END IONS +BEGIN IONS +TITLE=Cmpd 117, +MSn(666.6268), 78.2 min +PEPMASS=666.6268 +CHARGE=1+ +199.11787 8.0 +202.02003 16.0 +203.18849 9.0 +205.37949 23.0 +206.13461 11.0 +207.05227 10.0 +208.19718 9.0 +209.13293 12.0 +211.22177 15.0 +213.19376 12.0 +217.2048 17.0 +220.07549 12.0 +221.19821 11.0 +223.16276 19.0 +224.02837 10.0 +227.14643 14.0 +227.20741 15.0 +229.11602 9.0 +229.19308 8.0 +232.22619 14.0 +233.213 10.0 +233.24911 11.0 +234.20458 10.0 +236.23806 12.0 +237.12142 11.0 +237.2013 10.0 +238.99518 8.0 +239.13794 11.0 +240.24673 13.0 +243.21258 11.0 +245.22583 10.0 +251.06345 10.0 +251.18945 9.0 +252.15902 9.0 +254.22898 10.0 +255.24543 9.0 +256.27959 19.0 +261.2599 14.0 +264.26908 15.0 +268.27433 9.0 +269.2457 17.0 +270.25231 19.0 +271.2329 12.0 +275.23559 14.0 +277.23549 21.0 +279.24796 13.0 +281.14244 9.0 +281.25111 15.0 +282.04709 9.0 +282.34819 11.0 +283.27484 3140.0 +283.66427 10.0 +283.84975 9.0 +283.97707 9.0 +285.62265 9.0 +287.24247 12.0 +292.00048 12.0 +293.28132 15.0 +297.21527 10.0 +298.28976 24.0 +299.27568 12.0 +306.13821 13.0 +306.6031 11.0 +307.27 100.0 +308.00916 9.0 +309.10505 12.0 +309.2917 1680.0 +310.02176 9.0 +311.30642 733.0 +311.49724 11.0 +312.17851 11.0 +314.51708 12.0 +319.34668 10.0 +321.17527 22.0 +323.33965 10.0 +325.57813 9.0 +326.31608 9.0 +327.09976 21.0 +328.32047 12.0 +331.29533 9.0 +334.16303 9.0 +337.22537 17.0 +337.31109 9.0 +339.34829 21.0 +340.28089 9.0 +341.32214 13.0 +344.70533 14.0 +345.24869 19.0 +348.70616 9.0 +349.86664 9.0 +350.3029 9.0 +352.32081 13.0 +354.30497 10.0 +355.30676 12.0 +359.02545 11.0 +359.34384 14.0 +363.38765 9.0 +365.31765 10.0 +368.34703 10.0 +369.35668 24.0 +370.33838 12.0 +371.20832 12.0 +372.26179 9.0 +372.388 14.0 +375.27395 10.0 +376.22496 9.0 +379.33885 9.0 +380.39736 10.0 +381.23695 17.0 +383.15049 38.0 +383.33669 110.0 +391.36699 10.0 +394.41396 9.0 +395.64343 10.0 +396.43333 10.0 +397.33138 16.0 +397.4476 9.0 +403.25321 13.0 +408.12852 9.0 +408.41586 12.0 +409.30195 29.0 +410.31538 11.0 +411.30535 37.0 +411.43067 27.0 +411.72538 17.0 +412.31779 23.0 +413.32092 12.0 +423.42724 11.0 +425.34322 34.0 +428.82527 11.0 +432.5168 11.0 +437.35606 12.0 +439.22214 154.0 +439.35975 39.0 +440.32667 23.0 +440.81668 12.0 +443.03841 9.0 +443.23497 9.0 +447.13495 10.0 +448.36253 10.0 +453.40489 12.0 +454.4011 16.0 +455.37991 15.0 +457.31264 9.0 +457.41713 10.0 +458.38319 12.0 +459.40721 10.0 +461.70679 10.0 +466.43465 18.0 +467.42383 12.0 +473.99569 14.0 +475.3938 10.0 +477.22395 22.0 +481.40895 35.0 +491.70977 9.0 +492.39201 15.0 +493.42755 14.0 +494.47387 9.0 +495.28352 593.0 +496.45737 21.0 +498.08145 11.0 +506.62345 11.0 +508.48933 16.0 +509.4511 30.0 +510.46935 14.0 +519.39734 10.0 +521.43055 9.0 +522.34524 15.0 +522.46115 9.0 +523.48411 61.0 +524.55162 10.0 +525.47612 9.0 +527.89179 10.0 +533.48995 13.0 +536.50765 22.0 +537.49288 142.0 +549.51265 16.0 +550.30584 17.0 +551.34954 192.0 +551.49872 39.0 +552.48288 19.0 +554.01025 10.0 +564.58669 9.0 +581.61267 10.0 +593.16063 13.0 +607.4135 35.0 +608.38074 14.0 +609.41496 10.0 +611.63767 9.0 +615.18233 15.0 +629.56203 10.0 +630.62641 12.0 +631.50591 11.0 +641.54067 9.0 +646.58063 14.0 +648.60084 20.0 +649.24139 11.0 +649.4769 9.0 +650.59822 9.0 +652.55235 11.0 +662.8894 10.0 +663.47551 15.0 +663.64326 12.0 +664.61517 93.0 +665.48958 11.0 +666.62395 502.0 +666.77299 33.0 +667.43293 23.0 +668.40657 11.0 +668.63958 310.0 +686.30957 10.0 +856.14597 19.0 +END IONS +BEGIN IONS +TITLE=Cmpd 118, +MSn(668.6319), 78.7 min +PEPMASS=668.63189 +CHARGE=1+ +283.27515 1834.0 +309.28924 1667.0 +311.30461 752.0 +383.33607 66.0 +425.37707 32.0 +439.35868 33.0 +453.3673 57.0 +509.4289 70.0 +523.45287 62.0 +537.49546 110.0 +539.48344 46.0 +666.62265 409.0 +671.61589 34.0 +875.78553 20.0 +1142.68411 11.0 +END IONS