| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.98927962,0.5538193044);(55.98927962,0.653892736);(70.00492882,0.6770397739);(71.01275342,0.6664248147);(230.0209695,0.8992789303);(241.9845852,0.8685758297);(244.0002344,1.859398682);(245.008059,2.231976774);(246.0158836,1.817840088);(256.0002344,1.061073816);(257.008059,2.693158269);(257.9794993,0.6021718391);(258.0158836,3.814972569);(259.0192698,0.5671737751);(269.9794993,1.219723525);(270.9873239,1.557000969);(271.9951485,5.180547203);(272.9985309,0.7705822094);(273.0029731,5.073658717);(274.0063584,0.7554442092);(274.0107977,13.51175861);(275.014186,2.013865145);(283.9951485,6.05618814);(284.998529,0.9686221759);(285.0029731,4.722068429);(286.0063564,0.7559524893);(299.9900626,0.9568687911);(300.9978872,1.995115482);(302.0057118,29.85444385);(303.0090997,4.795047506);(304.0110334,0.8463153513) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (71.03115062,1.021834427);(73.01041552,1.200992104);(73.04679982,14.50851539);(74.04796012,1.241439057);(115.0573631,1.347653263);(389.0871066,1.024385895);(473.0902461,1.360786892);(489.1215445,1.323161034);(503.1008094,3.61386848);(504.1027806,1.464407643);(516.108634,0.9835744376);(517.1164586,4.210469563);(518.1184701,1.754556626);(518.1242832,4.586529592);(519.1262963,1.911953742);(519.1321078,1.892403273);(520.1247585,0.9116272987);(531.150505,3.714913357);(532.1522941,1.778296868);(533.1506301,0.9459379851);(546.1739788,1.598363467);(547.1454191,3.620014029);(548.1472101,1.734226537);(549.1455811,0.9298113368);(562.1688929,2.348824078);(563.1707237,1.152592007);(574.1325086,0.9860003377);(575.1403332,6.583363422);(576.1421617,3.230028958);(577.1406319,1.740906674);(590.163807,1.403050415) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (244.0002344,1.547255195);(245.008059,1.890703742);(246.0158836,1.531998944);(257.008059,1.673424632);(257.9794993,1.001686458);(258.0158836,3.465840987);(269.9794993,1.037700849);(270.9873239,1.216076769);(271.9951485,4.492035979);(273.0029731,4.494623177);(274.0107977,12.00614825);(275.014186,1.789460882);(283.9951485,5.925550062);(285.0029731,4.917481216);(300.9978872,1.636289022);(302.0057118,27.34641785);(303.0090997,4.392222926) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (150.0,4.015);(260.0,1.358);(261.0,6.648);(262.0,3.668);(273.0,1.738);(284.0,2.386);(302.0,100.0);(303.0,70.437) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (84.0,6.471);(85.0,6.261);(122.0,17.257);(123.0,6.379);(146.0,16.582);(147.0,10.612);(150.0,30.422);(151.0,9.475);(172.0,9.254);(200.0,19.502);(201.0,11.745);(212.0,8.496);(228.0,34.665);(229.0,25.756);(230.0,20.0);(231.0,14.643);(240.0,14.478);(241.0,9.0);(246.0,23.871);(247.0,6.626);(256.0,89.918);(257.0,30.064);(274.0,53.999);(275.0,38.462);(284.0,62.642);(285.0,20.262);(302.0,100.0);(303.0,45.04) | | LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (201.018097,196.0);(229.006302,181.0);(231.021378,109.0);(247.02063,307.0);(257.003784,701.0);(259.019379,104.0);(275.011932,822.0);(285.000702,612.0);(303.010406,1126.0) | | LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | (51.187462,208.0);(57.616043,180.0);(59.501549,164.0);(60.237679,196.0);(60.279392,180.0);(79.910561,140.0);(82.139221,160.0);(99.356514,152.0);(126.662025,140.0);(126.964607,140.0);(127.035706,192.0);(127.501175,164.0);(129.045303,160.0);(134.979218,212.0);(135.143448,172.0);(137.534821,176.0);(139.034897,396.0);(141.015808,204.0);(141.050552,184.0);(145.026443,164.0);(151.039001,344.0);(155.074722,176.0);(161.05246,228.0);(166.066833,208.0);(169.016602,188.0);(169.047806,208.0);(173.024933,264.0);(178.119995,188.0);(180.968246,144.0);(184.94989,188.0);(188.00209,140.0);(189.01593,204.0);(191.035248,328.0);(192.043839,160.0);(192.962997,152.0);(200.060562,136.0);(201.05571,156.0);(201.332382,148.0);(203.038925,188.0);(203.291412,148.0);(209.067093,148.0);(213.021072,168.0);(213.243362,228.0);(213.766846,244.0);(217.94548,152.0);(219.025177,148.0);(220.068039,772.0);(229.012772,208.0);(238.075348,592.0);(238.985397,96.0);(239.078995,216.0);(243.53421,160.0);(247.024994,484.0);(248.02742,148.0);(250.031296,160.0);(257.00769,764.0);(260.964691,164.0);(269.166443,208.0);(273.00708,180.0);(275.016968,436.0);(276.014374,164.0);(278.038605,152.0);(280.996826,164.0);(285.002625,464.0);(286.015656,264.0);(289.099396,268.0);(290.107758,164.0);(300.197998,140.0);(301.119446,156.0);(302.042328,144.0);(302.679138,228.0);(302.762238,180.0);(303.012482,3888.0);(303.098267,148.0);(303.185791,156.0);(303.224884,192.0);(304.014313,580.0);(305.013275,152.0);(305.093964,204.0);(306.008972,168.0);(307.109467,1500.0);(308.122528,156.0);(359.167908,196.0);(1507.385864,168.0);(1559.33728,152.0);(1977.000366,172.0) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (144.931004,0.737989);(156.94736,1.418577);(172.939865,2.00971);(184.952298,24.851795);(185.97107,2.244375);(200.971542,7.912037);(201.95717,0.721424);(212.980816,4.792576);(227.955379,0.618737);(228.96836,50.065538);(229.969622,4.79994);(239.965552,1.645426);(244.99922,3.72978);(254.935564,1.547394);(255.974339,0.664045);(256.987386,100.0);(257.990583,9.777411);(271.975251,0.891519);(272.986362,9.797471);(273.973417,0.582968);(282.98284,1.572171);(284.00312,20.123293);(284.981786,2.337863);(300.004792,2.036169);(300.978442,47.13666);(302.00893,6.114264) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (230.950315,2.52409);(240.9725,2.23045);(246.994999,0.786839);(256.912557,4.850052);(258.990789,8.429103);(259.999594,0.760803);(260.942951,0.659016);(274.965488,26.585817);(275.948437,2.720246);(284.970384,100.0);(286.002219,10.235243);(302.964279,3.02263) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (200.990617,0.871843);(207.839097,1.258378);(235.840735,0.80845);(240.910204,0.566715);(241.888111,3.025893);(259.040696,0.71631);(262.000006,0.521928);(263.017322,1.83072);(263.911058,3.06775);(273.083339,0.724676);(274.01286,1.654077);(275.037954,1.443107);(275.916673,0.944669);(276.250006,0.743395);(277.089962,0.598985);(287.012737,1.46959);(287.962021,3.21916);(290.01871,1.470016);(291.08334,2.629489);(291.881806,19.533657);(292.971832,0.701829);(301.056559,4.014331);(302.020713,6.947482);(303.00593,100.0);(304.078772,0.943506);(305.016131,1.247139);(305.794956,0.692596);(318.046456,5.3164);(319.027276,1.411641);(319.932572,0.76992) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (51.187462,5.349794);(57.616043,4.62963);(59.501549,4.218107);(60.237679,5.041152);(60.279392,4.62963);(79.910561,3.600823);(82.139221,4.115226);(99.356514,3.909465);(126.662025,3.600823);(126.964607,3.600823);(127.035706,4.938272);(127.501175,4.218107);(129.045303,4.115226);(134.979218,5.452675);(135.143448,4.423868);(137.534821,4.526749);(139.034897,10.185185);(141.015808,5.246914);(141.050552,4.73251);(145.026443,4.218107);(151.039001,8.847737);(155.074722,4.526749);(161.05246,5.864198);(166.066833,5.349794);(169.016602,4.835391);(169.047806,5.349794);(173.024933,6.790123);(178.119995,4.835391);(180.968246,3.703704);(184.94989,4.835391);(188.00209,3.600823);(189.01593,5.246914);(191.035248,8.436214);(192.043839,4.115226);(192.962997,3.909465);(200.060562,3.497942);(201.05571,4.012346);(201.332382,3.806584);(203.038925,4.835391);(203.291412,3.806584);(209.067093,3.806584);(213.021072,4.320988);(213.243362,5.864198);(213.766846,6.27572);(217.94548,3.909465);(219.025177,3.806584);(220.068039,19.855967);(229.012772,5.349794);(238.075348,15.226337);(238.985397,2.469136);(239.078995,5.555556);(243.53421,4.115226);(247.024994,12.44856);(248.02742,3.806584);(250.031296,4.115226);(257.00769,19.650206);(260.964691,4.218107);(269.166443,5.349794);(273.00708,4.62963);(275.016968,11.213992);(276.014374,4.218107);(278.038605,3.909465);(280.996826,4.218107);(285.002625,11.934156);(286.015656,6.790123);(289.099396,6.893004);(290.107758,4.218107);(300.197998,3.600823);(301.119446,4.012346);(302.042328,3.703704);(302.679138,5.864198);(302.762238,4.62963);(303.012482,100.0);(303.098267,3.806584);(303.185791,4.012346);(303.224884,4.938272);(304.014313,14.917695);(305.013275,3.909465);(305.093964,5.246914);(306.008972,4.320988);(307.109467,38.580247);(308.122528,4.012346);(359.167908,5.041152);(1507.385864,4.320988);(1559.33728,3.909465);(1977.000366,4.423868) | | LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (53.912269,0.00005731);(54.612395,0.00008516);(55.361995,0.00010398);(56.162086,0.00006764);(58.331842,0.00006406);(58.395104,0.00008186);(58.518076,0.00006259);(59.012547,0.00006769);(60.781847,0.00005744);(61.176303,0.00005633);(61.710306,0.00006913);(62.151961,0.0000838);(64.644054,0.00006077);(68.367694,0.00008185);(69.590966,0.00006628);(70.308982,0.00008732);(72.641699,0.000089);(73.529258,0.00008043);(74.410981,0.0000705);(75.125357,0.00036513);(75.787456,0.00008479);(75.952976,0.00009706);(76.652737,0.00005918);(77.908074,0.0000753);(79.728863,0.00007721);(79.945674,0.00006453);(80.613157,0.00011204);(80.990431,0.00007067);(82.509467,0.00008807);(83.525873,0.00007839);(89.072625,0.00006761);(89.256483,0.00005718);(90.751032,0.00006579);(91.942349,0.00008147);(96.706051,0.00009436);(98.964971,0.00009298);(100.703364,0.00007785);(101.081494,0.00005977);(101.214869,0.00007599);(102.52518,0.00009066);(103.634873,0.00006811);(104.12077,0.00009557);(104.658481,0.00008776);(107.147263,0.00009252);(110.527118,0.00008817);(111.054643,0.0000679);(111.20515,0.00006321);(116.948345,0.00005772);(132.461068,0.00006356);(133.449182,0.00006616);(134.256002,0.00005691);(134.620536,0.00008381);(138.010223,0.00008859);(144.319584,0.00006542);(146.140406,0.00007178);(146.544568,0.00006474);(146.981857,0.00006233);(149.303474,0.00013759);(150.952389,0.00006132);(155.548518,0.00008726);(161.26189,0.00007334);(164.761547,0.00006114);(165.375098,0.00006668);(171.602473,0.00006052);(172.015354,0.00011199);(173.023717,0.00026602);(176.963287,0.00008301);(180.906913,0.00009638);(185.023541,0.00399634);(190.580079,0.0000733);(195.534335,0.00006704);(195.846092,0.00008649);(199.849996,0.00023148);(200.011268,0.0002762);(200.766378,0.0000895);(200.956495,0.00009598);(201.018622,0.00162976);(202.039365,0.000088);(207.498983,0.00009151);(209.212344,0.00008822);(213.018865,0.00012666);(214.141421,0.00009513);(214.419273,0.00009911);(215.241552,0.00009146);(215.4708,0.00152819);(215.485504,0.00099504);(228.005966,0.00087255);(228.466611,0.00007944);(229.013848,0.00977399);(230.017192,0.00057865);(231.157052,0.00008604);(235.998684,0.00007707);(237.718283,0.00007309);(242.992493,0.00027772);(244.000957,0.00071607);(245.00872,0.00090648);(250.403125,0.00009124);(257.009074,0.01318005);(258.012434,0.00169338);(270.988502,0.01237184);(271.992907,0.00549949);(273.003756,0.00032221);(282.989059,0.0005458);(283.996148,0.00566847);(284.999658,0.00037905);(293.276575,0.00008844);(298.983243,0.00272576);(299.991088,0.06616018);(300.998774,1.0);(302.002235,0.1511497);(303.004096,0.01332941) | | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (50.377502,0.00007196);(50.553793,0.00006834);(50.740504,0.00007146);(52.239388,0.00008012);(53.668493,0.00007543);(53.829873,0.00009005);(54.34102,0.00005074);(54.744798,0.0000642);(55.018584,0.00411682);(55.92241,0.0000517);(56.002,0.00008226);(56.050274,0.00019028);(56.32289,0.00005689);(56.435167,0.00007232);(56.971356,0.00006706);(57.070603,0.00821145);(57.137015,0.00004933);(58.065852,0.00363861);(58.986954,0.00007572);(59.387941,0.00004877);(60.045071,0.00011244);(61.011331,0.00169046);(61.962108,0.00007357);(62.019173,0.0044345);(62.982353,0.00018469);(63.301955,0.00007276);(64.014938,0.00007868);(64.657108,0.00007821);(65.020599,0.0000757);(65.089899,0.0000544);(65.577848,0.00004327);(68.871652,0.00007658);(69.070608,0.00031705);(70.065738,0.00011976);(70.142406,0.0000919);(71.049705,0.00010459);(71.086205,0.00553478);(71.755998,0.00007117);(72.749513,0.000048);(72.959796,0.00004679);(73.44818,0.00004242);(74.060652,0.00112712);(74.096996,0.00005151);(75.041156,0.00006873);(75.383137,0.00007491);(76.181542,0.00019329);(76.395635,0.00008265);(76.993709,0.00006148);(79.021785,0.0012028);(80.050037,0.05284087);(80.829035,0.0000825);(81.070321,0.00056226);(83.798058,0.00006062);(85.065316,0.00006558);(85.101636,0.00312144);(86.147395,0.00005566);(87.044489,0.00017779);(87.546539,0.00009468);(88.076254,0.00008079);(88.558734,0.00010771);(89.034616,0.00008695);(89.060221,0.00865209);(89.940326,0.00006308);(90.063543,0.00326943);(90.94809,0.00031581);(91.054713,0.0101248);(91.064351,0.00014773);(92.996307,0.00004448);(93.070224,0.00011626);(94.740321,0.00007811);(95.085855,0.00064909);(95.375859,0.00005554);(98.096765,0.00036477);(99.044138,0.00004899);(100.234876,0.0000733);(100.593617,0.00005277);(101.003578,0.00106589);(101.530791,0.00005569);(101.602262,0.00005481);(103.497939,0.00007084);(105.042459,0.00006041);(105.109596,0.00005823);(105.917112,0.00019157);(106.086787,0.00004794);(107.085702,0.00023624);(107.766584,0.00005505);(109.064913,0.00007609);(109.101473,0.0002243);(111.117153,0.00007854);(112.075901,0.00005615);(113.059966,0.00826259);(114.063293,0.00043648);(116.071024,0.00009564);(117.460771,0.00007051);(117.500136,0.00008246);(117.917227,0.00015657);(118.086505,0.00008687);(118.943011,0.00006212);(119.085419,0.00018012);(119.507407,0.00007144);(120.071709,0.00006915);(121.101224,0.00032441);(121.339077,0.00007371);(122.081228,0.00212482);(123.116466,0.00008222);(123.896695,0.00005945);(123.927519,0.00006786);(125.327266,0.00007853);(126.525399,0.0000937);(126.556264,0.00007414);(126.988554,0.00006926);(128.860574,0.00005979);(129.907432,0.00008529);(130.66701,0.00005941);(131.041549,0.00007071);(132.958221,0.00047291);(133.085882,0.00225273);(133.100789,0.00017412);(133.701227,0.00010083);(133.948243,0.00031233);(134.089203,0.001811);(135.00268,0.00085368);(135.927545,0.00041426);(137.059455,0.00007127);(141.364333,0.000058);(141.524283,0.0000805);(141.67798,0.00007819);(144.466624,0.00007622);(145.101267,0.00013917);(146.756881,0.00006053);(146.772041,0.00009031);(146.838106,0.00008697);(146.973906,0.00011433);(147.927477,0.00006731);(148.002139,0.00007233);(149.09579,0.00007228);(149.13265,0.00005454);(149.734091,0.00007392);(149.961364,0.00008359);(150.95094,0.00136815);(150.96856,0.00069667);(151.958854,0.00116471);(152.951413,0.00943872);(153.169247,0.00006764);(153.938027,0.00007096);(153.959766,0.00019561);(154.946766,0.00259472);(158.785575,0.00005259);(160.935321,0.00013511);(162.950821,0.0017906);(163.951335,0.00010578);(163.958777,0.00533783);(163.976457,0.00021448);(164.44831,0.00008581);(164.984505,0.00010506);(165.152519,0.00007091);(165.938049,0.00531517);(165.955027,0.00008569);(165.973886,0.00005663);(166.921724,0.00008967);(167.933393,0.00006585);(168.961593,0.00055311);(168.982867,0.00009484);(169.597895,0.00007868);(169.977943,0.00017916);(170.961808,0.00203456);(172.957547,0.00024561);(175.253655,0.00005336);(175.958723,0.01100572);(176.961363,0.00019662);(177.938336,0.00011278);(177.954631,0.00010748);(178.115046,0.00009101);(178.510207,0.00007274);(178.945701,0.00038819);(179.953605,0.00122834);(180.961416,0.00526713);(181.410307,0.000051);(181.969244,0.00154102);(181.986371,0.00006173);(182.831974,0.00008339);(183.948689,0.00222344);(184.932096,0.00079423);(185.455452,0.0000668);(189.726535,0.0000542);(191.747662,0.00007913);(192.961557,0.00552718);(193.969326,0.00691623);(194.961819,0.00034936);(195.948078,0.00010503);(197.115344,0.00006638);(197.964235,0.00013415);(199.548882,0.00006737);(203.746307,0.00008005);(207.053917,0.000146);(207.984977,0.00006283);(208.202813,0.00007818);(210.972022,0.00375553);(211.919643,0.0000728);(212.236935,0.00834589);(212.97273,0.00225798);(215.404656,0.00133358);(215.414023,0.00065954);(215.423667,0.00114191);(216.4148,0.00006793);(217.080598,0.00005967);(217.104944,0.0000549);(218.076416,0.00009686);(219.096851,0.00007967);(219.174143,0.00036653);(220.336582,0.00008324);(222.14737,0.00005551);(223.979609,0.0076257);(224.981781,0.00011356);(225.935117,0.00042356);(225.976218,0.00010482);(226.074581,0.00081778);(229.806803,0.00007865);(230.678824,0.00006007);(231.029276,0.00051692);(238.018744,0.0000607);(240.231935,0.0111911);(241.013008,0.00043844);(241.037504,0.00139835);(241.2352,0.00205272);(241.990044,0.00111541);(242.038037,0.00036156);(242.105763,0.00005257);(242.122856,0.00008218);(243.034226,0.0003172);(243.100043,0.00006801);(244.085424,0.00890387);(244.943798,0.00019398);(245.047203,0.00104298);(247.022753,0.00013896);(247.143965,0.00141947);(256.263238,0.00213177);(257.007514,0.00296355);(258.167084,0.00006077);(259.023646,0.00252193);(259.048001,0.00035487);(259.071017,0.00019802);(261.11543,0.00005019);(261.130634,0.00167543);(262.095996,0.00322506);(263.080188,0.00013464);(263.097167,0.00004787);(268.142529,0.00008652);(268.978202,0.00055416);(269.978451,0.00056673);(270.95709,0.00132284);(270.974597,0.00083407);(271.151141,0.00297607);(271.97541,0.00010112);(273.094169,0.00019737);(273.131026,0.00073247);(275.018178,0.01105278);(276.021724,0.00089295);(283.753233,0.00008054);(284.974347,0.00008223);(285.002909,0.01670804);(285.180929,0.00009281);(285.990719,0.00017209);(286.006083,0.00240281);(286.024489,0.0000721);(286.112761,0.000101);(286.130253,0.00500521);(286.215253,0.00017653);(286.273751,0.00008119);(287.006707,0.00147429);(287.108882,0.00008999);(287.126735,0.0100493);(288.006238,0.00059834);(288.968954,0.00012164);(290.946607,0.00006244);(301.057477,0.0061544);(301.125367,0.01178784);(301.161868,0.01695337);(301.197818,0.00132662);(301.325652,0.00006106);(301.849316,0.00010364);(302.006253,0.00152261);(302.029571,0.0009066);(302.059034,0.00224309);(302.128999,0.00228118);(302.165245,0.0037376);(302.248305,0.00080415);(302.267517,0.001007);(302.283893,0.00289243);(302.304267,0.00119517);(303.013179,0.18148035);(303.141593,0.02493996);(303.177344,0.07835292);(303.205592,0.00695038);(303.2874,0.00022727);(304.016641,0.02787469);(304.105348,0.00010057);(304.142053,0.00034026);(304.180463,0.01018299);(304.209682,0.00016713);(304.267732,0.00135659);(304.299428,0.43563538);(305.018793,0.00300841);(305.090629,0.0001749);(305.124428,0.00466563);(305.15647,1.0);(305.303214,0.00031076);(306.023702,0.00026275) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.016158,0.0001594);(50.886286,0.00016897);(51.193472,0.00020801);(51.256268,0.00022881);(51.579485,0.00020807);(53.197227,0.00024791);(53.887795,0.00024185);(54.183808,0.00019734);(54.688591,0.00022181);(55.517119,0.00018732);(56.359382,0.00022494);(57.935899,0.00014181);(59.160857,0.00023296);(61.529006,0.00020952);(63.296818,0.00016888);(63.846268,0.00022105);(65.194577,0.00018419);(65.291025,0.00016293);(67.379177,0.00020634);(68.487819,0.00018717);(69.794214,0.00022656);(70.09196,0.00018746);(70.218166,0.00023094);(71.229459,0.00021324);(73.952658,0.00020562);(74.282869,0.00015545);(74.840494,0.00022285);(75.055007,0.0001706);(75.123479,0.00016735);(75.705403,0.0002452);(78.889991,0.00026321);(80.770204,0.00014852);(80.855178,0.00021555);(81.050273,0.00017399);(82.459616,0.0001707);(86.114903,0.00023406);(87.154581,0.00018946);(90.809872,0.00016598);(92.288888,0.0002521);(94.217645,0.00018233);(94.568794,0.00014595);(94.744937,0.00017808);(94.842404,0.00024934);(97.5119,0.00017442);(101.949163,0.00022842);(101.986664,0.0002402);(105.67064,0.00018171);(106.872788,0.00021949);(115.250578,0.00024027);(115.763638,0.00019389);(117.033305,0.00023636);(118.174621,0.00023308);(118.188981,0.00016952);(118.663013,0.00017343);(125.679648,0.00021458);(125.722175,0.00018565);(129.024035,0.00026056);(129.033249,0.00164392);(129.526761,0.0002212);(132.213464,0.00016804);(133.027988,0.00019481);(133.428935,0.00021511);(133.53616,0.00027364);(145.02836,0.00596366);(146.520829,0.00016442);(147.043988,0.0007502);(150.591908,0.00026514);(156.851064,0.00021557);(157.028374,0.00717777);(160.600966,0.00023736);(161.522751,0.00018704);(161.91612,0.00024143);(162.490375,0.00017624);(163.038935,0.00042606);(166.006883,0.00018651);(168.110932,0.00023905);(172.015673,0.00140913);(173.023614,0.01174774);(173.529015,0.00022655);(184.448815,0.00020843);(185.023634,0.03993005);(186.026951,0.00369212);(189.01863,0.00045403);(193.84937,0.0002853);(196.29369,0.00021802);(199.002376,0.00035342);(200.010722,0.00415972);(201.018601,0.03175206);(202.022017,0.00203381);(213.018653,0.00532078);(214.646732,0.00019745);(215.478293,0.00498378);(216.005601,0.00328669);(217.013314,0.00149852);(220.007483,0.00020141);(223.805073,0.00023845);(226.997969,0.00544989);(228.005686,0.00393171);(228.249015,0.00027598);(229.013779,0.08373191);(230.017218,0.00948498);(240.006403,0.00121155);(242.993291,0.00598444);(244.000516,0.00739613);(245.008834,0.023729);(246.012236,0.00098183);(254.993347,0.0072442);(256.993481,0.00027862);(257.008856,0.05607225);(257.023326,0.00075155);(258.01226,0.00676083);(259.874569,0.00016751);(265.420594,0.0001853);(267.711714,0.00023915);(270.988146,0.01277454);(271.993549,0.00754467);(273.003634,0.00838648);(282.988545,0.0039836);(283.996143,0.04834747);(284.999354,0.00594038);(289.974985,0.00027696);(298.609126,0.00024912);(298.983092,0.00018587);(299.990924,0.08701889);(300.9987,1.0);(302.002154,0.15322546);(302.985851,0.00026213);(303.004005,0.01287266) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.20772,0.00163281);(51.372265,0.00184377);(52.009567,0.00179102);(52.498914,0.00169736);(52.590267,0.00195475);(53.670959,0.00132601);(53.772116,0.00197016);(54.725781,0.00151636);(55.187749,0.0015431);(55.606271,0.0018079);(56.0234,0.00126695);(56.579293,0.00177755);(57.111251,0.00164747);(58.395408,0.00177485);(58.721292,0.00142473);(58.865434,0.00154002);(59.53194,0.00159975);(60.253867,0.00138102);(61.172531,0.002145);(61.634161,0.00188852);(63.226975,0.00183433);(63.528675,0.00179871);(64.124135,0.00171356);(64.76926,0.0015771);(64.834894,0.00190707);(65.001936,0.02203792);(68.84327,0.00190671);(68.982449,0.00183656);(69.141981,0.00173307);(70.521147,0.00135282);(70.898554,0.00127461);(71.753311,0.00198801);(72.167438,0.00139185);(73.475674,0.00157919);(74.404071,0.00189791);(77.301052,0.00193997);(77.633818,0.00169667);(78.007613,0.00177972);(78.273476,0.00192637);(79.374939,0.00149358);(80.167196,0.00232159);(80.202232,0.00181744);(82.126055,0.00226418);(82.496966,0.00167247);(85.939583,0.00189379);(87.140313,0.00193356);(89.038342,0.01506285);(89.210497,0.00166662);(89.535099,0.00193654);(89.620118,0.00151402);(90.173079,0.00170625);(90.900549,0.00147297);(91.248723,0.00160576);(91.688771,0.00160466);(96.887529,0.00234728);(98.116916,0.00147092);(98.125298,0.00208602);(99.048119,0.00138181);(100.695269,0.00148222);(101.030044,0.00215174);(101.038305,0.04185711);(103.017495,0.00164213);(104.590838,0.00250828);(105.033329,0.00483851);(106.386957,0.00184665);(106.827694,0.00155421);(107.564175,0.00171956);(107.569831,0.00220997);(110.706338,0.00179646);(113.038428,0.00368552);(113.574309,0.00205396);(115.017911,0.00150106);(115.220563,0.00156337);(116.025717,0.00509058);(117.033371,0.25969143);(118.03666,0.01176529);(118.162906,0.00177203);(119.012958,0.00304081);(119.048986,0.07179762);(120.052415,0.00168061);(121.028251,0.00172226);(121.573427,0.00214594);(124.456397,0.0015166);(127.01768,0.01285363);(128.025228,0.00254968);(129.033399,0.2149667);(129.885901,0.00146294);(130.036807,0.00961292);(131.012778,0.02155774);(132.020494,0.083453);(133.028402,0.13810409);(134.032045,0.00159071);(135.043772,0.00547472);(135.825663,0.00164652);(137.118867,0.00204743);(141.033478,0.02849844);(143.012674,0.02610403);(144.020604,0.0590371);(145.028373,0.76731496);(146.031704,0.07152038);(147.00751,0.00794839);(147.044024,0.15210697);(148.01578,0.00178461);(148.047252,0.00330747);(148.581339,0.00180456);(149.96551,0.00202041);(151.002235,0.00187648);(154.912257,0.00223615);(155.01278,0.02168509);(156.020716,0.01799182);(157.028456,0.30203102);(158.031677,0.01717248);(159.007783,0.03921153);(160.015615,0.11549617);(161.0236,0.1393593);(161.766661,0.00158054);(162.026759,0.00261311);(163.039042,0.25692274);(163.486875,0.00207268);(164.042445,0.01608073);(164.955508,0.00202409);(166.841468,0.00181105);(171.007778,0.09466649);(171.716245,0.00195984);(172.015932,0.11453361);(173.023487,0.7247943);(174.026866,0.0664422);(175.002976,0.00239881);(175.039151,0.01753228);(179.033867,0.00549039);(183.00789,0.02513845);(183.433114,0.0018666);(184.015688,0.08176139);(185.023587,0.65403958);(186.02696,0.06977527);(187.002793,0.04961918);(188.0106,0.06073202);(189.01863,0.24987587);(190.022171,0.00758937);(191.034047,0.03064625);(199.002793,0.19017059);(200.010996,0.25549967);(201.018771,0.66682683);(202.021904,0.07269637);(202.997474,0.00175422);(210.540037,0.00205515);(211.003022,0.00400081);(212.010908,0.04396956);(212.802597,0.00209785);(213.018766,0.02803297);(214.997918,0.05265055);(216.006049,0.23986358);(217.013872,0.24294091);(218.016778,0.01353103);(220.198034,0.01024009);(220.206066,0.01202398);(221.727902,0.00197493);(226.998271,0.2688807);(228.006156,0.23904998);(229.013999,0.62120455);(230.017172,0.08234812);(230.993033,0.00169282);(231.887628,0.00187934);(232.878198,0.00165976);(239.978203,0.0018998);(240.00629,0.02221376);(240.620068,0.00145821);(242.993208,0.10833602);(244.00111,0.17298204);(245.008899,0.46200837);(246.012465,0.0558277);(249.464722,0.00147656);(254.993322,0.09442575);(256.000589,0.04088136);(256.831719,0.00151053);(257.009101,0.14004133);(258.013234,0.00416631);(270.988514,0.06854862);(271.995866,0.05090535);(273.003736,0.04134427);(276.096042,0.001814);(282.988268,0.03850897);(283.996217,0.9727241);(284.999758,0.14696466);(292.323786,0.00240598);(298.983262,0.01708819);(299.991178,1.0);(300.998623,0.94166056);(301.355028,0.00177064);(302.002131,0.1411071);(302.477175,0.00204481) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.709036,0.00018195);(51.067209,0.00034026);(51.146328,0.0003132);(51.194251,0.00014028);(52.066369,0.00028257);(52.305018,0.00014855);(53.00301,0.00037239);(53.039376,0.00034479);(53.089761,0.00029893);(53.847804,0.00028339);(54.816228,0.00022036);(55.01725,0.00025568);(55.0186,0.0153958);(55.054984,0.00250671);(55.189623,0.00019889);(55.620572,0.00028037);(55.935152,0.00052483);(55.967803,0.00025369);(56.050205,0.00097292);(56.913021,0.00022977);(57.03415,0.00037233);(57.070616,0.08019586);(58.065849,0.02244708);(60.045172,0.00029814);(60.65923,0.00021872);(61.011381,0.01543754);(61.054818,0.00026057);(61.66171,0.00026367);(62.019187,0.01832757);(62.300981,0.00022567);(62.982395,0.00098845);(63.708701,0.00017312);(63.81398,0.00022326);(64.004445,0.00025077);(64.014948,0.00036384);(65.562245,0.00029059);(65.879168,0.00021861);(67.05496,0.00165664);(69.070554,0.00287231);(69.134353,0.00017627);(69.83161,0.0002476);(70.065833,0.00120278);(70.393622,0.00013768);(71.086182,0.04729814);(71.506952,0.00029919);(71.929999,0.00155897);(72.150129,0.00017799);(72.510393,0.00020496);(72.747739,0.00028487);(72.937821,0.0012311);(73.336752,0.0001712);(73.529754,0.000235);(74.060734,0.00356184);(74.50919,0.00029874);(75.031289,0.00027419);(75.376249,0.00014672);(75.653672,0.00033529);(76.181638,0.00035015);(78.441925,0.00030763);(79.021783,0.0038889);(80.050051,0.49465153);(80.675683,0.00029015);(81.07048,0.0040873);(83.086119,0.00142361);(83.184123,0.00036008);(83.908649,0.00029249);(84.603276,0.00022417);(85.040121,0.00026095);(85.10173,0.02106515);(85.804565,0.0002997);(87.991201,0.00025196);(88.028889,0.00020546);(88.076206,0.00257098);(89.060204,0.01537858);(89.940453,0.00045156);(90.063595,0.00509281);(90.948192,0.00329057);(91.054729,0.05845984);(91.057482,0.00156109);(91.491293,0.00030793);(91.971481,0.000257);(92.917827,0.00024793);(93.0703,0.00172994);(93.411165,0.00031888);(94.627522,0.00019523);(95.02277,0.00024855);(95.085967,0.00374752);(95.208492,0.00026393);(96.803011,0.00031341);(98.096908,0.00056479);(100.049243,0.00030842);(101.003584,0.0005482);(101.281412,0.00027421);(101.76245,0.00028503);(102.091651,0.00059072);(103.473084,0.0002249);(104.764659,0.00026273);(104.908562,0.00022425);(104.963518,0.0002781);(105.917338,0.0028497);(107.085761,0.00056004);(107.950643,0.00028921);(108.316494,0.00031956);(108.958739,0.00059413);(109.10152,0.00123511);(110.247003,0.00029622);(110.88466,0.00025044);(110.993819,0.00028122);(111.426308,0.0002283);(113.059947,0.0108517);(113.278766,0.00021043);(113.909864,0.00019892);(114.446981,0.00032748);(115.604968,0.00036274);(115.63543,0.00032041);(117.917177,0.0014005);(118.774583,0.00030939);(118.943302,0.00028107);(119.085719,0.00094571);(119.893739,0.00024883);(120.247298,0.00031504);(121.101256,0.00073325);(121.185316,0.00020833);(122.081306,0.00032411);(122.629322,0.00021714);(122.940913,0.00048422);(123.927509,0.00080009);(124.935873,0.00035554);(129.299234,0.000239);(129.334075,0.0001583);(130.551953,0.00026117);(132.958093,0.00443965);(133.086058,0.00051599);(133.948277,0.00180988);(134.955805,0.0005904);(135.002842,0.00062968);(135.927629,0.00146938);(137.01202,0.00019056);(140.506672,0.00033056);(143.0811,0.00025411);(143.46849,0.00024035);(146.918662,0.00027329);(148.339052,0.00015871);(148.971771,0.00257996);(150.12597,0.00038192);(150.951091,0.00323435);(150.968647,0.0084741);(151.716961,0.00031994);(151.958949,0.00886393);(152.951446,0.02325035);(152.966171,0.00027213);(153.240268,0.0003278);(153.938373,0.0015818);(153.959157,0.00131642);(154.946715,0.00433396);(155.021925,0.00021919);(157.192152,0.00016516);(159.117286,0.00031879);(160.935366,0.0011498);(162.950856,0.00470573);(163.958867,0.0049728);(164.984627,0.00047292);(165.545462,0.00028627);(165.938065,0.00794303);(166.866096,0.00021892);(166.922042,0.00030181);(167.549003,0.00033465);(168.961637,0.00104229);(170.961861,0.00773342);(175.039688,0.00027188);(175.605407,0.00029373);(175.958848,0.01234557);(176.928655,0.00020614);(178.945847,0.00445702);(179.441192,0.00026708);(179.953875,0.0003626);(180.961477,0.01561629);(181.472125,0.00019371);(181.969517,0.00056484);(183.948892,0.00308546);(184.932283,0.00313117);(188.788432,0.00020407);(189.018192,0.00021938);(191.081365,0.00626128);(192.961568,0.02113024);(193.969364,0.00583847);(194.961442,0.00034949);(195.948465,0.00025615);(198.96944,0.00031177);(200.036265,0.00024611);(201.018003,0.00363568);(203.033507,0.00086733);(210.971988,0.01610771);(212.236935,0.02065712);(212.972597,0.00028352);(213.018338,0.00226533);(214.020447,0.00015802);(215.406355,0.00449855);(215.41529,0.00521264);(216.104896,0.00031008);(217.013302,0.00093902);(217.594308,0.00036875);(219.028721,0.00282006);(219.174176,0.00123435);(223.97995,0.00035364);(225.164357,0.0002974);(225.695596,0.00018397);(226.074841,0.0043019);(227.411317,0.00025039);(229.013159,0.00854299);(230.01633,0.00032217);(231.028736,0.01180075);(232.031754,0.00034283);(236.499483,0.00039577);(240.231993,0.02136737);(241.012754,0.00589944);(241.037458,0.00130669);(241.235435,0.00283235);(242.039358,0.0005204);(243.033402,0.00080732);(244.085348,0.02186472);(245.047781,0.00029735);(247.023392,0.01431351);(247.143802,0.00860581);(248.145717,0.0002764);(248.601528,0.00033684);(252.450528,0.00019608);(256.263302,0.00429317);(257.007811,0.07209332);(258.011038,0.01016646);(259.023706,0.01610187);(260.026652,0.00162274);(261.130619,0.00372751);(262.095926,0.0066468);(265.233204,0.0002943);(268.978512,0.0002597);(268.99541,0.00082056);(269.978929,0.00042897);(269.995414,0.00027384);(270.957501,0.00251797);(270.974982,0.00383133);(271.151142,0.00555277);(271.975718,0.00105129);(272.233278,0.00035775);(272.936802,0.00035476);(272.972178,0.00032438);(275.018309,0.10249601);(276.02164,0.01474241);(277.022698,0.00016847);(281.513137,0.00026106);(285.002597,0.10745916);(285.027814,0.00311889);(285.991108,0.00026756);(286.006166,0.01611378);(286.023512,0.00088629);(286.130879,0.005053);(287.006942,0.00243958);(287.126637,0.01235265);(292.922115,0.00019312);(299.937554,0.00024177);(301.058674,0.00713885);(301.125427,0.01281785);(301.161805,0.02065378);(301.19657,0.00033567);(302.005662,0.00296673);(302.029932,0.00050526);(302.05916,0.00152337);(302.128929,0.00126188);(302.165136,0.00448359);(302.283889,0.00682852);(303.013176,0.23273261);(303.141659,0.02377601);(303.177402,0.08060082);(303.206797,0.00709863);(304.016706,0.03409453);(304.1805,0.010749);(304.299508,0.46109001);(305.017559,0.00031998);(305.124624,0.00226512);(305.156618,1.0) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.727946,0.00042695);(50.759198,0.00033196);(51.069041,0.00051018);(52.205797,0.00045074);(53.002939,0.00774457);(53.039352,0.01235281);(53.365611,0.0004986);(53.478155,0.00057134);(54.113123,0.00032482);(54.512428,0.00050303);(55.018579,0.03470343);(55.044837,0.00038398);(55.054977,0.02021024);(55.301419,0.00058573);(55.47754,0.0003638);(55.935145,0.00963991);(56.016912,0.00040535);(56.050222,0.00496561);(56.918093,0.00027096);(56.965539,0.01198039);(57.070618,0.19433197);(57.901978,0.00050526);(57.935604,0.00037643);(58.005733,0.00050587);(58.065855,0.04303015);(58.17928,0.00032675);(59.526052,0.00057631);(60.045081,0.00058173);(60.099538,0.00043877);(60.717605,0.0004359);(61.011369,0.0587052);(61.380141,0.00040548);(61.889367,0.00025982);(62.019206,0.02329066);(62.422415,0.00041771);(62.570516,0.00065268);(62.982395,0.00110586);(63.007156,0.00065032);(63.02699,0.001008);(63.347496,0.00056277);(64.835427,0.00061865);(65.0393,0.00270601);(65.263866,0.00056063);(65.629577,0.00050616);(66.063073,0.00042819);(67.0549,0.00657973);(68.185695,0.00032511);(68.753471,0.0004712);(68.942528,0.00038937);(68.997896,0.00044305);(69.07056,0.00904285);(70.065778,0.0033918);(70.178159,0.00043433);(70.605813,0.00055337);(70.958691,0.0007172);(71.04983,0.00121683);(71.086144,0.04280925);(71.853773,0.00041151);(71.929934,0.00385484);(72.081502,0.00058112);(72.937731,0.01053643);(73.047392,0.00127388);(73.2739,0.00057044);(73.945671,0.00061798);(74.060621,0.00159091);(74.765125,0.00051839);(75.112258,0.00044889);(77.421474,0.00038102);(77.697,0.00035611);(79.021749,0.00549626);(79.054797,0.00743929);(79.969134,0.00059539);(80.050026,1.0);(81.070404,0.01106932);(83.086146,0.00186959);(84.081138,0.00053826);(85.101694,0.01092576);(86.917247,0.00028095);(87.162875,0.00049914);(87.414271,0.0004895);(87.460215,0.00197066);(87.462798,0.00076046);(87.465094,0.00055646);(87.613984,0.00026008);(87.907036,0.00139815);(88.076227,0.01107624);(88.412038,0.00051044);(88.486219,0.00054685);(88.953053,0.00055397);(89.03908,0.00529249);(89.060233,0.0079793);(89.600453,0.00054596);(89.940316,0.00311884);(90.063594,0.00204034);(90.948144,0.02074031);(91.054722,0.14567939);(91.057665,0.0084226);(92.057635,0.00063816);(93.055016,0.00056173);(93.070336,0.00709856);(93.724952,0.00057682);(93.956411,0.00164529);(94.712199,0.00053251);(95.049704,0.00250116);(95.085849,0.00697581);(96.044428,0.00047896);(97.912363,0.00045549);(98.096785,0.00077943);(101.535218,0.00044546);(102.915009,0.00102068);(103.054621,0.00091865);(104.148383,0.00035747);(104.592016,0.00027263);(104.930543,0.00047446);(105.02475,0.00033004);(105.07029,0.00428839);(105.917297,0.00558008);(105.935079,0.00039951);(106.065566,0.00142535);(106.925251,0.00077921);(106.930107,0.00044837);(107.049418,0.00086796);(107.07337,0.00085347);(107.085865,0.00187355);(107.950851,0.00078738);(108.958595,0.00171397);(109.065041,0.00045003);(109.101135,0.00054472);(110.398811,0.00061958);(110.753858,0.00027152);(116.070349,0.00062894);(116.602409,0.00045939);(117.033692,0.01590478);(117.228283,0.00046371);(117.917319,0.00084779);(118.924966,0.01051712);(119.04922,0.00299009);(119.085468,0.0003359);(119.150714,0.00056898);(120.080852,0.003524);(120.940879,0.00101566);(121.028555,0.00056236);(122.695841,0.00046182);(122.941027,0.01541984);(123.002069,0.00043973);(123.043924,0.00040227);(124.120699,0.00047939);(124.935924,0.00622116);(125.949244,0.00058774);(126.667985,0.0002783);(129.033511,0.00724789);(130.065159,0.00072181);(130.423162,0.00038996);(130.567157,0.00064147);(131.478692,0.00030346);(132.080853,0.00166556);(132.958187,0.01875766);(133.948406,0.00234678);(134.184593,0.00074522);(134.956162,0.00469377);(135.043999,0.00098811);(135.92752,0.00396683);(136.935342,0.01031964);(137.011633,0.00046073);(137.023462,0.00046104);(137.927975,0.00550601);(138.861673,0.00071335);(139.054039,0.00026144);(139.72422,0.00055764);(139.923581,0.00083767);(145.028326,0.03096657);(147.044033,0.02031387);(148.047238,0.00047022);(148.971814,0.03803411);(150.474737,0.00026799);(150.951063,0.00374662);(150.968741,0.03711732);(151.958768,0.00589878);(152.951502,0.02024576);(152.966764,0.00575094);(153.119454,0.0002584);(153.937844,0.00108424);(153.959196,0.01160597);(154.2285,0.00027323);(154.946814,0.00194779);(156.088978,0.00054188);(157.028345,0.01649271);(160.676193,0.00036664);(160.935447,0.00077402);(161.023095,0.00055489);(161.548825,0.00038377);(161.60425,0.00047795);(162.951652,0.00060325);(163.038947,0.01507819);(164.066142,0.00045896);(165.938021,0.00104447);(166.921638,0.00053723);(166.982275,0.00775421);(168.439662,0.00053049);(169.74088,0.00044803);(169.90877,0.00071566);(170.961999,0.00598619);(171.888912,0.00047362);(172.42812,0.00031467);(173.023232,0.07086269);(173.031205,0.00041231);(174.026796,0.00448167);(175.039053,0.01556405);(176.058009,0.01289389);(177.938063,0.00115339);(178.946052,0.00291707);(180.534958,0.00057743);(180.961391,0.0044193);(182.141172,0.0004772);(183.00736,0.00350258);(184.932427,0.00518942);(185.02336,0.01309041);(185.948878,0.00053486);(187.933509,0.0005335);(189.017821,0.00166896);(191.033854,0.03293818);(191.081344,0.01463336);(192.961581,0.00888582);(195.94896,0.00253064);(197.468131,0.00050246);(198.080251,0.00296545);(199.045594,0.00038707);(200.675944,0.00046842);(201.018131,0.17888433);(201.069574,0.00034371);(201.746918,0.00027569);(202.02151,0.02002563);(202.304939,0.00054512);(203.033855,0.02130387);(204.175155,0.00054082);(210.972134,0.00661704);(212.237371,0.00249544);(213.018183,0.01612834);(216.091112,0.00031028);(217.012439,0.00118147);(219.028769,0.02396316);(220.032111,0.00047043);(220.160069,0.00330383);(220.194599,0.0008004);(226.074966,0.01420538);(227.039666,0.00082694);(229.001579,0.00323098);(229.012827,0.11064638);(230.016637,0.01277586);(231.028846,0.0224049);(232.121192,0.00053301);(241.013073,0.00099744);(244.085622,0.01407027);(247.023329,0.10391337);(247.93799,0.0006088);(248.027433,0.01042127);(251.726315,0.00041153);(256.737497,0.00071473);(257.007791,0.1844249);(258.011326,0.02453789);(259.023914,0.00700932);(262.09499,0.00042182);(264.457495,0.00060527);(265.57199,0.00034274);(268.996126,0.01050633);(269.996479,0.00209899);(270.975542,0.00895476);(270.993343,0.00037573);(271.957129,0.00058005);(271.975029,0.00238536);(272.49462,0.000359);(275.018293,0.06694071);(276.022049,0.00579701);(283.281549,0.00048723);(284.174196,0.00040587);(285.002518,0.02863464);(285.027399,0.00140278);(286.009031,0.00350673);(288.968643,0.00062358);(290.947264,0.00048327);(294.680836,0.00048407);(302.282695,0.00030697);(303.013453,0.00670385);(304.300051,0.01475717);(305.15695,0.01610293) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (31.01838972,0.0043694101);(43.01838972,0.0092051192);(44.99765427,0.0131356947);(47.01330434,0.0014880177);(56.99765427,0.0067024411);(59.01330434,0.0063999039);(80.99765427,0.0001437752);(177.0187836,0.0000493938);(201.0187836,0.0000504581);(203.0344337,0.0000042385);(215.0344337,0.0000597025);(217.0136983,0.0001486657);(229.0136983,0.0016075135);(241.0136983,0.0003696913);(242.9929628,0.0006449888);(245.0086129,0.0396663748);(247.0242629,0.0056111699);(257.0086129,0.1584303667);(258.9878774,0.0828719317);(259.0242629,0.1500732371);(261.0035275,0.0400869709);(270.9878774,0.2341251964);(273.0035275,0.6740495973);(285.0035275,4.267582995);(303.0140922,94.30312315) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (31.01838972,0.2958474321);(43.01838972,0.1542520365);(44.99765427,0.009705702);(47.01330434,0.0144167808);(56.99765427,0.5476576303);(59.01330434,0.3665310835);(80.99765427,0.0007523725);(177.0187836,0.00597521);(201.0187836,0.0401910028);(203.0344337,0.0166814292);(215.0344337,0.0360696742);(217.0136983,0.0972815);(229.0136983,0.3165414425);(241.0136983,0.0143513618);(242.9929628,0.0450210755);(245.0086129,1.218857207);(247.0242629,0.6240569074);(257.0086129,1.361180219);(258.9878774,0.3057648776);(259.0242629,3.185186454);(261.0035275,0.305894999);(270.9878774,0.9589190999);(273.0035275,7.445796726);(285.0035275,12.37220608);(303.0140922,70.26086169) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (31.01838972,0.0986837834);(43.01838972,0.2843144749);(44.99765427,0.7967899565);(47.01330434,0.3809208464);(56.99765427,0.0349679799);(59.01330434,0.044494054);(80.99765427,1.349167085);(177.0187836,0.730436656);(201.0187836,4.784297518);(203.0344337,1.000802493);(215.0344337,1.135022967);(217.0136983,4.473076867);(229.0136983,4.612828211);(241.0136983,1.254614878);(242.9929628,1.842379812);(245.0086129,7.16887738);(247.0242629,1.053131598);(257.0086129,3.675228769);(258.9878774,4.391760627);(259.0242629,4.482288552);(261.0035275,0.9476438393);(270.9878774,4.686630461);(273.0035275,5.294224511);(285.0035275,41.10917276);(303.0140922,4.368243922) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.0517807048);(29.00273965,0.0008020393);(41.00273965,0.0502856072);(43.01838972,0.0120886301);(44.99765427,0.0004804685);(53.00273965,0.0073545778);(80.99765427,0.0038957209);(175.0031336,0.0075963352);(190.9980482,0.0005955705);(199.0031336,0.0389855226);(201.0187836,0.0044612059);(202.9980482,0.0008006713);(213.0187836,0.9111207507);(214.9980482,0.0265585431);(226.9980482,0.0623322759);(230.9929628,0.0034632691);(238.9980482,0.0174679888);(240.9773128,0.000049307);(242.9929628,0.3371775155);(245.0086129,0.0581835903);(254.9929628,2.19023184);(256.9722274,0.0258133853);(257.0086129,16.83531706);(258.9878774,0.080679148);(268.9722274,0.0096115365);(270.9878774,0.2710987228);(282.9878774,1.225445433);(300.9984421,77.76632258) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.0718233687);(29.00273965,0.018469175);(41.00273965,0.1144624115);(43.01838972,0.033362801);(44.99765427,0.0023799801);(53.00273965,0.0146461735);(80.99765427,0.0581244608);(175.0031336,0.1278358427);(190.9980482,0.00081985);(199.0031336,0.4234138325);(201.0187836,0.0684327867);(202.9980482,0.0161373233);(213.0187836,1.581767083);(214.9980482,0.2303926495);(226.9980482,0.1304625652);(230.9929628,0.0650104527);(238.9980482,0.0623484086);(240.9773128,0.0000134249);(242.9929628,2.251815913);(245.0086129,0.5824442877);(254.9929628,6.307629475);(256.9722274,0.4373606461);(257.0086129,19.67112386);(258.9878774,0.5703940983);(268.9722274,0.0870746353);(270.9878774,0.4446423826);(282.9878774,5.489183212);(300.9984421,61.1384289) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (17.00273965,0.3946567186);(29.00273965,0.423936161);(41.00273965,1.077929944);(43.01838972,0.4465878128);(44.99765427,1.19063036);(53.00273965,0.6052975812);(80.99765427,0.4809934425);(175.0031336,1.760835395);(190.9980482,0.2080263167);(199.0031336,8.581630936);(201.0187836,0.8170218858);(202.9980482,0.1997323653);(213.0187836,15.75299818);(214.9980482,4.710236593);(226.9980482,6.216848247);(230.9929628,0.0798875856);(238.9980482,0.9323003464);(240.9773128,0.2832192222);(242.9929628,2.6351975);(245.0086129,0.3326568191);(254.9929628,16.91375547);(256.9722274,1.795773415);(257.0086129,15.62967971);(258.9878774,0.878860914);(268.9722274,0.9930326267);(270.9878774,3.498108586);(282.9878774,9.305248907);(300.9984421,3.854916962) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(273.00408,9.4);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(282.98843,13.95);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0);(300.99899,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (214.9986,41.28);(214.9986,41.28);(214.9986,41.28);(214.9986,41.28);(214.9986,41.28);(214.9986,41.28);(230.99351,18.91);(230.99351,18.91);(230.99351,18.91);(230.99351,18.91);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(242.99351,100.0);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(245.00916,22.62);(254.99351,16.73);(254.99351,16.73);(254.99351,16.73);(254.99351,16.73);(254.99351,16.73);(270.98843,23.03);(270.98843,23.03);(270.98843,23.03);(270.98843,23.03);(270.98843,23.03);(270.98843,23.03);(270.98843,23.03);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(273.00408,19.56);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82);(282.98843,24.82) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0);(303.01354,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (215.03389,26.98);(231.0288,20.66);(231.0288,20.66);(233.00806,23.28);(233.00806,23.28);(233.00806,23.28);(242.99241,79.07);(242.99241,79.07);(245.00806,88.47);(245.00806,88.47);(245.00806,88.47);(247.02371,23.05);(247.02371,23.05);(247.02371,23.05);(247.02371,23.05);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(257.00806,100.0);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(259.02371,59.32);(273.00298,36.4);(273.00298,36.4);(273.00298,36.4);(273.00298,36.4);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(275.01863,89.02);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1);(285.00298,52.1) |
| 
