| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (29.00219012,3.437097242);(44.99710422,2.94962044);(58.00492882,1.144820279);(59.01275342,6.819194458);(60.02057802,1.171785371);(87.00766752,1.044020345);(88.01549212,1.49161195);(89.02331672,3.361335603);(90.03114132,1.678207459);(104.0104062,0.7973753608);(118.0260554,0.8076491068);(134.0209695,0.8314015551);(148.0366187,0.7820197382);(270.0522679,2.646840264);(297.0393574,0.8667441106);(298.047182,1.087926823);(311.0550066,1.339927292);(312.0628312,0.8931950692);(326.0420961,0.7890629392);(328.0577453,1.194073997);(340.0577453,0.9962837608);(342.0733945,1.129511286);(356.0526594,0.8124915362);(358.0683086,1.081968028);(371.0761332,0.9055139006);(385.0553981,0.7819329195);(401.0866965,1.387189944);(415.0659614,0.8687035929);(416.073786,0.8299819761);(428.073786,2.417910011);(429.0816106,2.556854655) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (59.0119,1.08);(59.0141,3.18);(71.013,2.05);(75.0068,1.02);(85.0286,5.45);(95.0107,1.29);(99.0075,1.93);(103.0016,2.19);(113.0244,33.08);(175.0245,13.1);(269.0455,100.0);(270.0471,2.55);(445.0763,39.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (59.0142,6.28);(71.0132,1.95);(85.0294,9.35);(95.0133,2.28);(99.0086,2.74);(103.0024,1.46);(113.0242,17.02);(117.025,1.19);(129.0181,1.2);(175.0227,1.81);(269.0454,100.0);(270.0498,3.23) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (119.0498,1.09);(153.0179,3.45);(271.0602,100.0);(272.0635,1.03) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (44.9982,1.59);(57.0342,2.41);(59.0146,9.74);(63.0228,2.74);(65.0024,1.22);(71.0153,3.46);(75.0069,1.32);(85.0294,8.22);(87.0068,1.62);(95.0149,1.21);(99.006,1.65);(107.012,2.78);(113.0215,1.36);(117.0337,8.67);(149.0222,2.62);(151.0061,2.62);(159.0412,1.82);(161.0206,1.39);(181.0629,1.05);(183.0428,1.8);(197.0585,1.06);(201.0553,1.33);(225.0517,3.1);(227.032,1.1);(269.0458,100.0);(270.049,1.89) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (271.0602,100.0);(447.0915,1.98) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (271.0603,100.0);(272.0631,1.09);(447.092,85.48) | | LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.113346,0.00007306);(50.876957,0.00007227);(51.060453,0.00007235);(51.650049,0.00010434);(52.019274,0.00004754);(52.194193,0.00004846);(52.603194,0.00010198);(52.752658,0.00010231);(53.447284,0.00007834);(53.627461,0.00005413);(53.640469,0.00008998);(54.559173,0.00012189);(55.017499,0.00161603);(55.057381,0.00008281);(55.158384,0.00005559);(55.502224,0.00007505);(55.546876,0.00006996);(56.437066,0.00009326);(56.531941,0.00005916);(56.680272,0.00005003);(56.738565,0.00009128);(56.771639,0.00006548);(57.033172,0.01640038);(58.004639,0.00034328);(58.123757,0.00006763);(58.478475,0.00005259);(58.904045,0.00007499);(58.999755,0.00010188);(59.012423,0.06826831);(59.202967,0.00004709);(59.21997,0.00008056);(59.877919,0.00005326);(60.015784,0.00034751);(60.389548,0.00004159);(60.462494,0.00006911);(61.296373,0.00006972);(61.316532,0.00010273);(61.575074,0.00008899);(61.764127,0.0000383);(61.997473,0.00007228);(62.52056,0.00008724);(63.291402,0.00007938);(63.333338,0.00009878);(63.917242,0.00005927);(63.960746,0.00008267);(63.967334,0.00004485);(63.984306,0.00007617);(64.511751,0.00005821);(64.674859,0.00007248);(64.735546,0.00004148);(66.031242,0.00007439);(67.017495,0.00133868);(67.863291,0.00004233);(68.227553,0.0000596);(68.605481,0.00004874);(68.996798,0.00214765);(69.033191,0.00019685);(71.01244,0.04777935);(71.806942,0.00004651);(72.015711,0.00027413);(72.440451,0.0000759);(72.991727,0.00954872);(73.028051,0.00682637);(73.315452,0.00008668);(73.567304,0.00007285);(73.923256,0.00004392);(74.048685,0.00004356);(75.007361,0.03052985);(75.698022,0.00004782);(77.197265,0.00008618);(78.144678,0.0000955);(78.906502,0.00004901);(78.984542,0.00033134);(79.495725,0.00008102);(79.741001,0.00010094);(79.955926,0.00114794);(80.725216,0.00005773);(80.9637,0.00016229);(81.090292,0.00004713);(81.480458,0.00007527);(82.959427,0.00010687);(83.012449,0.00325959);(83.731235,0.00013);(84.020233,0.000263);(84.842492,0.00007403);(85.028106,0.16394567);(85.596573,0.00008268);(85.796071,0.00006899);(85.886828,0.00008597);(86.031431,0.00716472);(87.007361,0.01821598);(87.305839,0.00009073);(89.023017,0.01076725);(89.824565,0.0000768);(89.933682,0.00004889);(90.09097,0.00010367);(90.900708,0.00007386);(93.117253,0.00008183);(94.979436,0.05009326);(95.012456,0.05172766);(95.015835,0.00043006);(95.938332,0.00008618);(95.982585,0.00007952);(96.015764,0.00164979);(96.446328,0.00004274);(96.958716,0.04393577);(96.975237,0.00141918);(97.36316,0.00008566);(98.954439,0.00104144);(99.007368,0.05120147);(99.924416,0.00006214);(100.010811,0.0013382);(100.67726,0.00007666);(100.773051,0.00005965);(100.932147,0.0002243);(101.022988,0.0016421);(102.050216,0.00008922);(103.002258,0.01167165);(103.091616,0.00004824);(103.5134,0.00008899);(104.69542,0.00006261);(107.941755,0.00006547);(108.530605,0.00007115);(108.772131,0.00006745);(108.971597,0.00008892);(109.027715,0.00005807);(109.115571,0.00008695);(110.993886,0.000074);(111.007387,0.00229249);(112.691382,0.00005996);(113.02305,0.12730888);(113.242332,0.00007747);(113.767095,0.00004499);(114.026427,0.00699125);(115.002339,0.01233359);(115.919406,0.00050333);(116.927162,0.00015118);(117.017983,0.01880643);(117.033862,0.00026121);(117.099035,0.00004689);(118.021571,0.00018462);(119.498246,0.00006473);(121.384575,0.00013846);(124.132952,0.00008357);(126.682775,0.00008353);(127.535411,0.00008153);(129.018099,0.01366549);(132.433033,0.00007904);(133.028222,0.00007867);(135.043953,0.00128069);(135.049632,0.00004804);(136.911279,0.00008515);(139.002539,0.00069131);(140.061789,0.00009172);(142.023908,0.00007343);(145.012387,0.00008581);(145.991285,0.00005241);(146.819708,0.00010718);(147.200575,0.00005525);(147.806334,0.00004381);(149.023331,0.00029268);(151.002431,0.00031082);(154.50119,0.00006327);(157.013216,0.00073914);(160.48402,0.00009686);(161.023278,0.01405736);(161.999335,0.00008246);(162.026593,0.00023041);(163.470012,0.00004619);(164.164017,0.00009517);(165.499488,0.00008632);(165.614627,0.0001013);(170.827896,0.00008397);(171.986303,0.00008997);(172.920801,0.00011171);(175.023736,0.00582415);(177.315087,0.00005159);(178.453604,0.00005014);(179.033909,0.00162671);(179.094118,0.00004489);(179.122686,0.00008166);(180.076593,0.00011983);(185.206673,0.00004629);(192.040478,0.00006276);(194.508444,0.0000539);(195.432086,0.00008295);(195.493945,0.00010175);(196.954827,0.00009263);(197.044679,0.00462637);(200.618483,0.00007673);(206.30992,0.00008103);(208.194009,0.00009778);(210.219336,0.00005921);(212.317249,0.00008398);(212.637993,0.00008017);(214.752739,0.00458755);(214.763539,0.00344434);(214.775038,0.00083175);(215.742939,0.00005082);(220.277422,0.00008437);(220.377804,0.00008361);(223.866192,0.00011031);(225.055391,0.00036451);(226.058564,0.00012454);(227.722447,0.00004712);(229.898631,0.00005457);(234.045073,0.00005288);(235.116195,0.00006235);(235.94696,0.00011744);(238.961725,0.00007972);(241.296997,0.00008222);(241.310978,0.00009864);(241.35574,0.00005623);(243.946472,0.00006089);(249.817641,0.0000861);(252.240984,0.00005682);(252.476191,0.00005026);(253.051139,0.00010446);(256.700012,0.00011437);(261.75052,0.0001126);(267.19538,0.00006144);(268.037422,0.00444674);(269.045223,1.0);(270.048783,0.16185973);(271.050943,0.02164723);(271.273573,0.00008486);(272.053806,0.00084365);(280.59517,0.0001029);(281.045665,0.00010912);(283.061067,0.00073116);(285.040313,0.01056938);(285.087189,0.00008928);(286.043774,0.00057263);(295.075698,0.00006263);(296.138144,0.00010234);(297.624602,0.00010218);(308.107763,0.00005708);(311.055933,0.00149359);(323.964632,0.00006524);(341.067238,0.00027252);(343.502606,0.0000942);(345.718209,0.0000732);(349.672218,0.00007476);(355.613276,0.00004426);(356.269607,0.00004556);(370.461213,0.00004573);(372.435057,0.00005307);(383.267281,0.0000973);(385.110918,0.00008144);(399.149833,0.00006367);(403.609914,0.00008182);(406.611895,0.00005539);(420.981088,0.00011802);(436.876726,0.0000536);(441.875692,0.00005339);(449.500172,0.00009699) | | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (50.180446,0.00005238);(50.573018,0.0000351);(51.621035,0.0000394);(51.939119,0.00005906);(55.054957,0.00019064);(55.275061,0.0000349);(57.034336,0.00007343);(57.070605,0.01003524);(58.065847,0.00072845);(58.07397,0.00014156);(59.049857,0.00220253);(59.061055,0.00310154);(60.045096,0.00021024);(60.166878,0.00003589);(60.672864,0.00004244);(61.011355,0.00911256);(62.017554,0.0000636);(62.019164,0.00897303);(62.967747,0.00004528);(63.007161,0.00006287);(63.026945,0.00005799);(63.296781,0.00004522);(63.998399,0.00006375);(64.014973,0.00008928);(64.491678,0.00007322);(64.725616,0.00005938);(65.504284,0.00003639);(66.248446,0.00005116);(67.05493,0.00017374);(67.639086,0.00036304);(69.070565,0.00053748);(70.065782,0.00152575);(70.672624,0.0000367);(71.049783,0.00032595);(71.086179,0.00262333);(73.029045,0.0002268);(73.047417,0.00009499);(73.06547,0.00018252);(76.176271,0.00005584);(79.021764,0.01779067);(80.025047,0.00004725);(81.01755,0.00017925);(81.070371,0.00049728);(81.78923,0.00005389);(83.086057,0.00042645);(84.045404,0.00005777);(85.028915,0.00088359);(85.040204,0.00054812);(85.101701,0.0013659);(85.423059,0.0000623);(86.097037,0.00009394);(87.044548,0.00218329);(87.422489,0.00005123);(89.060181,0.0130409);(90.063547,0.00017759);(91.054708,0.00063121);(91.05775,0.00052508);(93.070278,0.00008056);(95.085898,0.00065608);(97.041145,0.00004187);(97.101538,0.00027371);(98.135961,0.00004415);(98.975729,0.00172665);(99.802606,0.00007397);(100.076132,0.00005043);(100.445861,0.00007016);(101.003582,0.00012246);(101.060084,0.00104376);(102.440711,0.00003989);(103.039376,0.00108977);(105.070223,0.00021139);(107.049449,0.00034094);(107.085905,0.00012589);(109.101477,0.000381);(109.486196,0.00004956);(109.941352,0.00005442);(111.11728,0.00007436);(111.304519,0.00006646);(116.052956,0.0000627);(116.986011,0.0009243);(117.091052,0.00008217);(119.085627,0.00034166);(120.999758,0.00003805);(121.064895,0.00060629);(121.101318,0.00007088);(121.157005,0.00006546);(123.043884,0.00004061);(123.116872,0.00008297);(124.039414,0.00020242);(124.522971,0.00005491);(127.031108,0.00003777);(128.963749,0.00005197);(131.070183,0.00014367);(133.085876,0.00425166);(133.101104,0.00015066);(134.956112,0.00170448);(134.978749,0.00125178);(135.116829,0.00012707);(136.974274,0.0011346);(140.143413,0.00021492);(142.158927,0.00004145);(144.959122,0.00006286);(146.974275,0.00053726);(147.043981,0.00040629);(147.116777,0.00490634);(147.512369,0.00003657);(148.120026,0.00030327);(148.955628,0.00006612);(148.971732,0.00100486);(150.95095,0.0053464);(152.95169,0.00017488);(152.966458,0.00063334);(152.989183,0.00065123);(153.019669,0.00006562);(153.959346,0.0000789);(154.968555,0.00003772);(154.984919,0.00127665);(158.995372,0.00020414);(160.989987,0.00114698);(161.132369,0.00030439);(162.951382,0.00089098);(163.038766,0.0035645);(163.04621,0.00006901);(164.966834,0.00009359);(164.987605,0.00043309);(165.090948,0.00016466);(166.982604,0.00007789);(168.961627,0.00161181);(172.11532,0.0000401);(172.322307,0.00004029);(172.989942,0.00006959);(173.010983,0.00046516);(174.989983,0.00020586);(176.96718,0.00209824);(176.987864,0.00145042);(177.005633,0.00016648);(177.05436,0.00014131);(177.112382,0.00009922);(178.946151,0.0000704);(178.983551,0.00009551);(179.002509,0.00011919);(179.954132,0.00048079);(180.961929,0.00014607);(180.984221,0.00005937);(181.050769,0.00005059);(182.977201,0.0001851);(184.483197,0.0000618);(185.961428,0.00259407);(187.026456,0.00006647);(188.473123,0.00005544);(188.967427,0.00021912);(189.005555,0.00049774);(190.946329,0.00037617);(190.966379,0.00015616);(191.000601,0.00094287);(192.961515,0.00825584);(193.963998,0.00004236);(194.999853,0.00008835);(196.697798,0.00007211);(202.967376,0.00037105);(203.021273,0.00010195);(204.961981,0.01556386);(204.983544,0.00018149);(205.962052,0.00083632);(205.970984,0.00008661);(206.977793,0.0076378);(206.988611,0.00119574);(207.977847,0.00046136);(208.976697,0.00048257);(210.971987,0.00451857);(211.02728,0.00006862);(212.934321,0.00003503);(212.971494,0.00003647);(214.614824,0.00021394);(214.628983,0.00145532);(214.638341,0.00207425);(214.643757,0.00238537);(214.659226,0.00142099);(214.935544,0.00005797);(214.988325,0.00052463);(215.100673,0.00004964);(217.969407,0.0000588);(219.174156,0.00086868);(220.955973,0.00008738);(222.994064,0.00004005);(223.962554,0.00200903);(226.033802,0.00006895);(227.022678,0.00007441);(228.888627,0.00027364);(229.074153,0.0001748);(229.140597,0.00006993);(229.895868,0.0001964);(230.96705,0.00006923);(231.978646,0.00004334);(232.883366,0.00014237);(232.945961,0.00116988);(233.89124,0.000244);(237.007298,0.00025888);(237.08594,0.00006865);(238.967456,0.00047666);(241.972889,0.00007859);(242.908098,0.00097017);(243.067695,0.00007587);(243.140454,0.00006916);(243.84952,0.00005697);(244.883589,0.00034609);(246.961636,0.00011238);(247.978191,0.00003702);(248.936634,0.00030856);(250.544788,0.00005793);(250.893736,0.00224571);(250.956118,0.0003357);(251.730941,0.000048);(252.134254,0.00331543);(253.137077,0.00005045);(254.057172,0.00028385);(254.976555,0.0000752);(255.017077,0.00031378);(255.06506,0.00204656);(258.899209,0.00073128);(262.876973,0.00013904);(262.893856,0.00044713);(264.909222,0.00085455);(265.939536,0.00089443);(265.990994,0.00009762);(266.909902,0.000261);(267.067848,0.00003763);(268.905973,0.00045439);(269.081375,0.00051373);(269.105054,0.00007037);(270.051489,0.00022511);(270.065153,0.00005305);(270.899389,0.00657508);(271.03305,0.00386019);(271.059812,1.0);(271.899803,0.00100949);(272.063217,0.16378553);(272.899291,0.00017128);(272.936667,0.00031357);(272.988605,0.00003505);(273.02786,0.00013105);(273.065243,0.02074883);(273.907053,0.00020828);(274.067933,0.00195645);(274.893754,0.00389348);(274.911562,0.00011784);(275.901933,0.00596697);(276.909583,0.00371721);(277.917465,0.0002079);(280.129304,0.00045363);(280.886763,0.00007167);(281.911323,0.00031879);(282.919786,0.00073111);(283.060348,0.00007006);(283.08474,0.00009685);(284.899677,0.00080572);(284.916158,0.00159653);(285.008585,0.00006588);(285.039369,0.00009008);(285.075779,0.00245427);(286.078775,0.00012826);(286.894394,0.0114214);(286.912411,0.00031651);(287.026029,0.00140355);(287.054738,0.0145596);(287.093055,0.00004221);(287.894938,0.00176639);(288.058046,0.0023872);(288.909125,0.00163698);(290.908785,0.00029756);(290.925434,0.00174051);(290.946801,0.00282258);(291.086713,0.00005158);(291.896359,0.00023733);(291.950456,0.00011387);(291.998047,0.00003492);(292.905309,0.00027845);(292.947986,0.00060747);(293.945794,0.00024867);(294.942756,0.00012822);(295.927855,0.00163701);(296.930634,0.00005414);(297.010343,0.00021084);(298.94145,0.00033533);(299.057773,0.00053958);(300.147653,0.00071082);(300.909497,0.00235085);(300.927403,0.00005462);(301.054803,0.0000499);(301.09551,0.00023242);(301.91069,0.00014541);(302.259646,0.00018545);(302.925302,0.0007683);(303.954586,0.00004099);(304.173925,0.00007276);(304.886942,0.00032408);(304.904901,0.00017187);(304.924421,0.00058804);(305.887771,0.00003983);(305.924007,0.00006793);(306.901399,0.00011844);(306.919294,0.00784059);(307.13533,0.00009087);(307.922446,0.00025944);(307.949268,0.00029447);(308.920117,0.00429519);(308.936818,0.00053523);(308.956789,0.00015572);(309.005995,0.00393738);(309.150833,0.00147466);(309.278915,0.00003502);(309.91852,0.00118564);(309.945899,0.0000733);(310.010457,0.00020538);(310.153966,0.00003663);(310.916131,0.00207526);(310.957761,0.00008596);(311.166493,0.00070192);(311.294056,0.00666273);(311.918667,0.00014757);(311.956602,0.00014255);(312.297096,0.00128225);(312.910798,0.00101584);(312.980703,0.00004945);(313.204436,0.00052897);(314.909472,0.00006651);(315.020482,0.00094542);(316.118494,0.0000676);(316.904412,0.00380306);(316.923903,0.00040842);(316.998449,0.00006282);(317.067569,0.00010371);(317.180144,0.00006588);(317.906407,0.00024067);(318.784864,0.00006203);(318.887087,0.00004456);(318.920379,0.00708624);(319.181315,0.00003818);(319.925385,0.00136637);(320.917954,0.00003489);(321.928829,0.00008637);(321.965757,0.00009327);(322.913838,0.00008305);(322.951411,0.00013007);(324.325776,0.00099074);(324.930053,0.00146871);(324.979591,0.00018954);(325.986727,0.00006871);(326.890616,0.00007038);(326.930891,0.00121511);(326.99562,0.00073053);(327.016665,0.01135518);(327.161502,0.00117075);(327.180977,0.00010441);(327.927923,0.00009175);(328.020622,0.00151421);(328.90476,0.00110163);(328.926298,0.00212943);(329.050686,0.00112314);(329.085521,0.00024891);(329.176823,0.00783415);(329.928062,0.00004856);(330.052809,0.00013926);(330.179648,0.00088887);(330.920543,0.0144644);(331.0112,0.00008172);(331.216025,0.00006344);(331.921506,0.00259289);(332.936229,0.00133478);(333.029964,0.00008548);(333.938341,0.00006287);(334.91484,0.00020407);(335.944086,0.00010781);(336.837251,0.00025388);(336.930431,0.00077914);(337.181253,0.00016017);(337.919893,0.00050556);(337.938882,0.00378737);(338.940636,0.00012084);(339.939935,0.00094404);(340.941656,0.00006201);(340.993856,0.00004727);(341.936013,0.00005183);(342.989686,0.008112);(343.994695,0.00175021);(345.0278,0.07306245);(345.99198,0.000064);(346.031214,0.01188269);(347.032883,0.0013643);(347.058078,0.00012386);(347.187739,0.00419307);(348.191443,0.0002358);(348.952268,0.00144039);(349.020722,0.00168036);(349.072968,0.0001833);(350.025112,0.00006624);(350.946838,0.01585061);(351.017588,0.0000642);(351.899353,0.00089048);(351.947711,0.00355212);(352.950081,0.00009661);(352.974432,0.00095679);(353.842087,0.00016217);(353.976914,0.00010109);(354.990158,0.00029178);(355.931591,0.00237474);(356.932009,0.00018256);(357.027732,0.00003476);(357.120853,0.00007769);(357.207556,0.00015822);(357.931328,0.00007273);(358.84399,0.00009204);(359.043204,0.00098818);(359.992227,0.00164943);(360.838869,0.00320783);(360.999951,0.00339852);(361.148794,0.00036875);(361.84246,0.00006809);(362.003714,0.00021086);(363.00057,0.00020265);(363.038113,0.02231561);(363.999045,0.00066517);(364.041724,0.00337244);(364.962278,0.00024383);(365.044188,0.00019826);(366.989102,0.00156799);(367.030632,0.00020698);(368.939396,0.00031136);(369.027663,0.00244037);(371.042716,0.00010121);(371.187833,0.00006947);(374.008968,0.00004395);(378.848784,0.00039926);(379.160702,0.00004567);(380.387574,0.00013813);(382.954702,0.00009266);(383.173704,0.00065459);(383.992319,0.00107727);(384.999391,0.00073281);(387.016797,0.00004957);(387.040279,0.0033528);(387.150992,0.00019993);(387.185003,0.00104553);(388.041678,0.00003534);(388.186883,0.00006111);(389.052924,0.00173725);(389.180054,0.02379548);(390.055191,0.00035384);(390.183649,0.00527444);(390.209537,0.00027195);(391.051201,0.00013381);(391.146153,0.00004501);(391.179756,0.00143865);(392.179462,0.00044728);(392.939261,0.00163225);(393.175984,0.00004462);(393.94087,0.00007861);(394.844126,0.0020117);(396.999806,0.00045546);(399.215683,0.00195616);(399.717062,0.00088968);(400.217605,0.00009856);(401.166331,0.00048089);(402.992131,0.00058249);(405.029453,0.00269836);(405.16113,0.00112167);(405.200284,0.00005116);(406.032912,0.0002461);(406.84543,0.00004173);(407.190809,0.00487241);(408.194457,0.00058869);(408.769878,0.00007405);(408.955703,0.0002722);(410.949762,0.00690356);(411.950945,0.0010849);(415.182551,0.00060155);(416.184248,0.00003767);(417.211685,0.00027755);(419.176126,0.00060531);(421.20553,0.00004584);(423.218907,0.00032673);(427.338482,0.0005907);(429.3178,0.0024318);(430.321616,0.00020149);(431.260403,0.00069482);(433.192051,0.00017957);(437.200925,0.00014227);(437.234861,0.00772286);(438.238861,0.00106609);(441.354655,0.00063669);(443.299624,0.00009787);(443.333393,0.00313275);(444.337518,0.00054567);(445.312211,0.00021274);(447.292531,0.0017187);(447.345993,0.00012689);(448.29683,0.00016227);(449.287586,0.00081242);(450.294267,0.00003829);(451.21455,0.00101435) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.014637,0.00021435);(50.346897,0.00014583);(50.684481,0.00011742);(50.783021,0.00012756);(51.586751,0.00013674);(51.857785,0.00015196);(51.868099,0.00012645);(52.757191,0.00026678);(52.869989,0.00023433);(52.870992,0.00010985);(53.164708,0.00012853);(53.349353,0.00019462);(53.515234,0.0002139);(53.538363,0.00012442);(53.899782,0.00022018);(54.183051,0.00015088);(54.672924,0.00020165);(55.017475,0.0029229);(55.08653,0.00026991);(55.451188,0.00015783);(56.081038,0.00011058);(56.307644,0.00015646);(57.001818,0.00018782);(57.033166,0.02051337);(57.520077,0.00023911);(59.01243,0.0718355);(59.298009,0.0001548);(59.454415,0.00019222);(59.898442,0.0001126);(59.977501,0.00020243);(60.049368,0.00012264);(60.170693,0.00012269);(60.85797,0.0001325);(61.387161,0.00013944);(61.703,0.00022345);(61.708625,0.00012207);(62.781157,0.00011782);(63.022572,0.00126107);(63.243595,0.00019978);(66.729332,0.00013943);(67.015522,0.00017811);(67.017461,0.00089264);(67.215905,0.00021663);(68.301234,0.00018418);(68.325103,0.00010978);(68.709413,0.00011762);(68.822698,0.00026597);(68.996763,0.00216511);(69.289159,0.00020655);(69.350711,0.00022565);(71.012439,0.06520418);(71.066695,0.00013369);(71.797876,0.00022186);(72.24552,0.0001995);(72.809637,0.00033076);(72.991689,0.0129141);(73.028055,0.00412537);(74.696814,0.00021325);(75.007359,0.02734995);(75.009339,0.00025357);(75.091099,0.00017198);(75.578636,0.00011354);(77.043841,0.00031078);(78.429932,0.00023533);(78.725813,0.00023337);(79.215742,0.00012601);(79.694741,0.00012398);(79.955906,0.00240577);(80.695174,0.00023385);(80.809817,0.00019849);(80.896504,0.00014549);(82.704861,0.00023502);(83.012422,0.00343781);(83.954907,0.0003066);(84.020185,0.00013336);(85.028103,0.13247075);(85.031026,0.00143872);(86.03146,0.00406073);(86.724443,0.00021543);(87.004573,0.00017225);(87.007343,0.02413198);(87.073921,0.00021356);(87.676235,0.00014199);(88.829865,0.00019345);(89.02296,0.00850703);(89.154378,0.00026399);(89.622726,0.00021544);(89.716009,0.00024979);(90.197555,0.00010684);(90.643998,0.00012718);(90.959978,0.00015173);(92.631282,0.00021406);(94.185805,0.0001687);(94.540709,0.00024765);(94.669917,0.00024579);(94.970828,0.00022281);(94.979432,0.05613615);(95.012481,0.03242648);(96.015641,0.00033187);(96.255141,0.00031613);(96.958719,0.05062714);(96.975488,0.00017555);(97.386282,0.00018287);(98.020405,0.00018464);(98.048086,0.00024039);(98.954285,0.00014816);(99.007364,0.04247042);(99.271778,0.00010969);(99.92454,0.00040022);(100.010802,0.0002151);(100.092615,0.00016922);(100.135062,0.00014149);(101.222004,0.00024942);(102.127374,0.00022451);(102.17164,0.00029268);(102.384921,0.00022592);(103.002279,0.00334936);(104.427383,0.00020167);(106.615564,0.00013682);(106.65095,0.00010714);(107.012419,0.00384729);(107.366569,0.00025926);(109.027899,0.00017111);(109.588856,0.0001623);(109.931813,0.00016311);(111.007471,0.0005457);(111.613673,0.00028052);(113.023043,0.03929768);(114.026463,0.0002553);(114.729826,0.00024543);(115.002365,0.00711833);(115.294292,0.00024675);(115.919058,0.00029211);(117.017945,0.01119773);(117.033291,0.011021);(118.036621,0.00015241);(118.994097,0.0001584);(119.58866,0.00023862);(121.028308,0.00024611);(121.216522,0.00020734);(122.93875,0.00020492);(123.535654,0.00016972);(123.664115,0.00016245);(127.533794,0.00019077);(128.598964,0.00020128);(129.018106,0.0045914);(131.318314,0.0002549);(132.716566,0.00024221);(133.028548,0.00045157);(133.410556,0.00024966);(133.741972,0.00021179);(134.379326,0.00016896);(134.74406,0.00025708);(135.04398,0.00256177);(135.923938,0.00026187);(137.588168,0.00011725);(141.089118,0.00022581);(142.680846,0.00015243);(146.655633,0.00021504);(147.87492,0.00023396);(148.823517,0.00025243);(149.02326,0.01089568);(150.243415,0.00020858);(150.810771,0.00020074);(151.002537,0.00980278);(152.219361,0.00016794);(152.786475,0.00030678);(157.080734,0.00014979);(157.64231,0.00027331);(158.471012,0.00029078);(159.043969,0.00343697);(159.690071,0.00026943);(161.023287,0.01660025);(163.512448,0.00013589);(164.10434,0.00022175);(164.144087,0.00011966);(169.064846,0.00026237);(174.202672,0.00022953);(174.993924,0.00035177);(177.352662,0.00014337);(178.987794,0.00026881);(179.033632,0.00016119);(181.065138,0.00042591);(183.044249,0.00237867);(185.003642,0.00025291);(187.220803,0.00031853);(189.850332,0.0001242);(192.370679,0.00024314);(196.052537,0.00020129);(196.312107,0.00015176);(197.04399,0.00021077);(197.060017,0.00219871);(197.464527,0.00014304);(201.054868,0.00256139);(201.263619,0.00012237);(203.532985,0.00011695);(204.062518,0.00029251);(204.117958,0.00022484);(204.644898,0.00023876);(209.712935,0.00031808);(214.758775,0.00920157);(214.775114,0.00018357);(215.552302,0.00021802);(216.570336,0.0001942);(218.790473,0.00017298);(219.563241,0.00013134);(222.023725,0.00022983);(225.054925,0.01226099);(226.058386,0.00046157);(227.034456,0.00284015);(228.19184,0.00021256);(235.899036,0.00024353);(241.899862,0.0002378);(249.264017,0.00024325);(253.675632,0.00028712);(256.210748,0.0001081);(261.99856,0.000116);(266.785941,0.00011833);(268.037593,0.00736681);(269.045271,1.0);(270.048847,0.16487089);(271.05109,0.02081357);(272.054195,0.00031309);(280.668404,0.00023087);(285.04019,0.00688377);(291.009918,0.00027294);(300.046838,0.00028951);(308.497274,0.00013583);(321.388311,0.00023539);(323.206735,0.00033952);(330.409209,0.00019497);(333.712111,0.0002994);(334.73389,0.00019272);(346.960564,0.00028639);(347.78026,0.00012199);(348.077365,0.00028085);(359.922363,0.00012449);(372.20838,0.00022359);(372.393183,0.00011302);(379.173642,0.00023248);(379.849186,0.00025069);(381.505076,0.00021848);(389.219471,0.000155);(396.05023,0.00015403);(410.06224,0.00029117);(410.946118,0.0001632);(412.986896,0.00028293);(413.147416,0.00014143);(442.346932,0.00023536);(443.944805,0.00013067);(446.037727,0.00015885);(449.25929,0.00013863) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.477591,0.00074593);(50.571073,0.00097873);(50.599167,0.0005529);(50.906829,0.00075877);(51.091359,0.0005623);(51.521902,0.00052513);(51.913512,0.00053638);(52.377191,0.00074699);(53.001922,0.00077172);(53.070152,0.00043799);(53.176645,0.00075736);(53.683559,0.00068465);(54.256216,0.00059948);(54.463596,0.00084719);(54.789433,0.00049369);(55.01755,0.01273995);(55.137124,0.00089737);(55.695394,0.00054575);(56.069902,0.00077439);(56.329112,0.00061957);(56.939028,0.00061412);(57.03319,0.04928273);(57.298981,0.00068849);(57.506897,0.00114356);(57.508506,0.00094814);(57.743939,0.00048433);(57.857942,0.00087928);(58.266502,0.000566);(58.608864,0.00066029);(58.749418,0.00069704);(58.88434,0.00056967);(59.012423,0.19231339);(59.448702,0.00084928);(60.683215,0.00093684);(61.24339,0.0004285);(61.503674,0.00048542);(62.838944,0.00082856);(63.022611,0.26865616);(63.029181,0.00035258);(63.817913,0.00074179);(64.025988,0.00629782);(64.256175,0.0004056);(64.39965,0.00077182);(64.914811,0.00051591);(65.001868,0.13252096);(65.301339,0.00047871);(65.481878,0.00065492);(66.431407,0.00049706);(66.80629,0.0006208);(66.927412,0.0007572);(67.017506,0.00738148);(67.748119,0.00080853);(68.438667,0.00080855);(68.99679,0.00687432);(69.240427,0.00098815);(69.712485,0.00053877);(69.828248,0.00042547);(70.961178,0.00098168);(71.012441,0.21190955);(72.387721,0.00068408);(72.991763,0.04251136);(73.028167,0.00554686);(73.68847,0.00104382);(74.229477,0.00113296);(75.007366,0.06578318);(75.444732,0.0004673);(77.686981,0.00056958);(79.017589,0.00125079);(79.319563,0.00071098);(79.955973,0.05335837);(79.972437,0.00046044);(80.636156,0.00041117);(81.03329,0.00142926);(82.325391,0.00080335);(83.012481,0.03719038);(83.39523,0.00071444);(83.916145,0.00064448);(83.976491,0.00058001);(84.020259,0.00485509);(85.02812,0.14573977);(85.24164,0.00069402);(87.007377,0.07333305);(87.169142,0.00076317);(87.500484,0.00051172);(88.34316,0.00095405);(88.6583,0.00052598);(88.78935,0.00072786);(89.001979,0.00517726);(89.023021,0.00241264);(89.063674,0.00106136);(89.688707,0.0007853);(90.884456,0.00059569);(93.033201,0.04568225);(94.068613,0.00043467);(94.979445,0.18613179);(95.012473,0.02298443);(96.11762,0.00084964);(96.500213,0.00052575);(96.712823,0.00040917);(96.958708,0.17276693);(96.975305,0.001572);(97.210602,0.00072845);(98.954606,0.00086463);(99.004144,0.00039964);(99.007384,0.07134179);(99.924378,0.00159724);(102.25037,0.00072122);(102.283668,0.00055104);(104.218076,0.00074424);(104.349506,0.00067933);(105.033215,0.02192361);(106.428422,0.00071957);(106.794778,0.00097516);(107.012479,0.20766109);(107.597604,0.00044516);(108.015828,0.00348311);(108.214796,0.00088714);(108.555455,0.0004228);(110.309335,0.00085219);(111.514851,0.00043764);(113.023131,0.00421644);(114.130535,0.00074331);(115.002341,0.00090343);(115.919593,0.00231839);(116.006057,0.00091766);(116.034854,0.00054119);(116.809601,0.00053851);(117.017767,0.00043695);(117.033283,0.53980347);(117.177225,0.00082282);(117.474773,0.00049232);(118.02101,0.00078123);(118.036635,0.04538285);(118.626252,0.00082185);(119.33346,0.00038076);(119.780444,0.00046097);(119.927037,0.00072628);(120.194792,0.00066471);(121.028304,0.02481646);(122.139943,0.00088801);(123.044024,0.00265247);(126.045527,0.00073186);(126.10829,0.0004124);(126.498543,0.00079111);(127.066541,0.00056762);(129.265518,0.00091343);(130.019977,0.00089064);(131.049103,0.00048877);(132.020723,0.00134678);(133.02827,0.01961343);(135.043932,0.06107948);(135.919073,0.00053867);(136.048414,0.00053615);(139.999523,0.00079693);(141.033457,0.00093189);(141.912677,0.00086133);(143.049087,0.00158038);(143.079518,0.0006406);(143.985435,0.00086938);(144.896853,0.00048136);(145.028208,0.00302007);(145.742452,0.00057547);(146.488537,0.0009129);(147.007669,0.0012269);(148.015185,0.00100745);(149.023251,0.13059329);(150.02674,0.00406143);(151.002521,0.1425811);(152.006264,0.00385264);(152.307167,0.00095073);(153.784091,0.00079146);(155.049236,0.01915871);(157.064783,0.01456874);(157.770988,0.00060339);(158.036428,0.00157482);(159.044029,0.2090436);(160.047455,0.01374455);(160.893972,0.00073114);(161.023292,0.11727812);(161.036412,0.00047558);(161.727562,0.00041026);(162.026964,0.00342672);(162.298742,0.00044209);(163.508927,0.00076247);(167.04854,0.00061694);(169.0649,0.05727079);(169.071932,0.00085964);(171.044095,0.01330537);(173.060014,0.00666181);(175.996179,0.00072419);(180.057077,0.01937595);(180.810226,0.00048071);(181.064965,0.04335483);(182.036434,0.00997437);(182.068174,0.00047024);(182.142301,0.00081125);(183.04425,0.08226116);(183.173353,0.00086276);(184.047564,0.00190358);(186.562935,0.00060208);(186.768733,0.00059664);(187.688747,0.00057022);(188.843996,0.00043921);(192.131053,0.00067626);(194.432151,0.00080781);(195.043944,0.00866022);(196.052198,0.02884481);(197.060068,0.06498513);(197.813833,0.00064976);(198.062633,0.00059856);(199.03942,0.01727784);(199.517059,0.00072022);(199.891733,0.00106572);(200.852938,0.00109172);(201.05503,0.05384621);(202.058683,0.00056394);(203.033774,0.00172162);(208.411561,0.00047441);(209.169524,0.00068141);(210.098516,0.00049563);(211.263277,0.00114505);(213.054748,0.00609172);(213.551324,0.00090357);(219.483915,0.000811);(221.337881,0.00052106);(221.35471,0.00724943);(224.047411,0.02462324);(225.055172,0.09794619);(226.058759,0.00804656);(226.806077,0.00072973);(226.88069,0.00058357);(227.034466,0.04936848);(227.959336,0.00051869);(230.30134,0.00064112);(237.990879,0.00061042);(239.7273,0.00041697);(241.050344,0.0052577);(245.222518,0.00063062);(246.381643,0.00081613);(247.284363,0.00100774);(252.829107,0.00072219);(253.136565,0.00083264);(259.462334,0.00047682);(259.480734,0.00076822);(268.037665,0.0230039);(269.045261,1.0);(269.308636,0.00072725);(270.048824,0.15707593);(270.592606,0.00046305);(271.051261,0.01726137);(274.490719,0.00051828);(278.704363,0.00083831);(280.011276,0.00116238);(289.139674,0.00058456);(292.63577,0.00048173);(295.854929,0.00068121);(299.197647,0.00078246);(301.32655,0.00109603);(309.696433,0.00062349);(316.564287,0.00058166);(324.651119,0.00044686);(324.864234,0.00055131);(332.409633,0.00073306);(349.145777,0.00101319);(363.080603,0.00070342);(367.038101,0.00060795);(396.174455,0.00083819);(401.665258,0.00110641);(408.48724,0.00065234);(414.426241,0.0008767);(416.25884,0.00074436);(416.789443,0.00091292);(418.667734,0.00069985);(422.533606,0.00073552);(433.480924,0.00043481);(437.139424,0.00067313);(443.439373,0.0004507) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.027201,0.00004239);(50.208536,0.00004039);(50.407059,0.0000428);(50.941589,0.00005789);(51.071484,0.00004159);(51.290051,0.0000991);(51.926202,0.00005026);(52.010574,0.00014356);(52.149348,0.00005327);(52.790223,0.00004995);(53.169074,0.00006067);(53.681031,0.00011974);(54.767128,0.00005099);(55.054953,0.00058295);(55.108567,0.00005882);(55.249656,0.00010728);(55.346972,0.00004787);(55.35834,0.00013576);(55.758873,0.00004518);(56.965512,0.00167679);(57.034186,0.00008333);(57.070602,0.01268983);(57.252613,0.0000607);(57.352507,0.00005203);(57.623544,0.00008218);(57.733217,0.00006355);(58.065826,0.00137366);(58.073899,0.00018037);(58.303119,0.00006048);(58.877632,0.00004355);(58.937795,0.00005498);(59.049841,0.00191014);(59.061074,0.00217552);(59.989205,0.00012017);(60.045108,0.00021548);(60.13008,0.00017124);(60.520476,0.00011862);(61.011355,0.02481935);(61.488672,0.00006028);(61.614002,0.0001378);(61.835606,0.00003889);(61.919635,0.00005545);(62.019164,0.01957037);(62.425687,0.00012974);(62.802301,0.00008362);(63.007127,0.00034835);(63.027043,0.00004334);(63.97593,0.00004406);(63.998341,0.00062779);(64.015,0.00028951);(64.09151,0.00016463);(66.901996,0.00004381);(67.054843,0.00052208);(67.639209,0.00007793);(67.890146,0.00015998);(68.406369,0.00011926);(69.034064,0.00005697);(69.070544,0.00111419);(69.342882,0.00006299);(70.065737,0.00162074);(70.848582,0.00010295);(70.918901,0.00013002);(70.958522,0.00009564);(71.049795,0.00015551);(71.08618,0.0030043);(71.192766,0.0000513);(72.871752,0.00010139);(72.937758,0.00057378);(73.029009,0.0005443);(73.047271,0.00007394);(73.064075,0.00004994);(73.109423,0.00004094);(74.232148,0.00005586);(74.549434,0.00006467);(74.658233,0.00013417);(77.08585,0.00011177);(78.163989,0.0001374);(78.693671,0.0000669);(79.021774,0.01672358);(79.05484,0.00003921);(79.71862,0.00009762);(80.025064,0.00004276);(81.01766,0.00017416);(81.070388,0.00094724);(81.279227,0.00004207);(81.497727,0.00003954);(83.086016,0.00055424);(84.081294,0.00023134);(85.028876,0.00084809);(85.040151,0.00039797);(85.101666,0.0010863);(86.096974,0.00012435);(87.044507,0.0018407);(88.03587,0.00004142);(89.060162,0.00877153);(89.657783,0.00004416);(89.940193,0.00012376);(90.948206,0.00048335);(91.054636,0.00125776);(91.057671,0.00041492);(92.47827,0.00004695);(92.870077,0.00005445);(93.070318,0.00044562);(93.134088,0.00008573);(94.161257,0.00004131);(94.254482,0.00004166);(95.04948,0.0000464);(95.085882,0.00116788);(95.494368,0.00012408);(97.028367,0.00006251);(97.101558,0.00015027);(98.862408,0.00009186);(98.975749,0.00763981);(99.412647,0.00004628);(100.07607,0.00011379);(100.38664,0.00008388);(100.885979,0.0000513);(100.906039,0.0000653);(101.060063,0.00026896);(102.707042,0.00005005);(103.039419,0.00043201);(103.751736,0.00006289);(105.070123,0.00054995);(107.049338,0.00050024);(107.085797,0.00032738);(109.10133,0.00025374);(111.116976,0.00007861);(112.626838,0.00011796);(113.023612,0.00012772);(113.518608,0.00007456);(113.995671,0.000071);(114.391724,0.00007227);(114.719508,0.00004026);(115.303778,0.00004299);(115.540692,0.00003923);(116.963566,0.00007128);(116.986004,0.00446296);(118.079896,0.00006511);(118.534482,0.00005959);(119.04937,0.00064064);(119.061402,0.00004152);(119.085742,0.00064621);(120.940568,0.00004858);(121.028738,0.00036631);(121.064882,0.00038256);(121.10196,0.00004473);(123.04416,0.00013868);(124.039357,0.00015266);(126.127996,0.00005657);(126.16417,0.00006301);(128.963839,0.00036966);(129.801976,0.00006132);(130.979353,0.00057417);(131.000992,0.00005665);(131.736598,0.00013194);(133.085859,0.00039637);(133.101163,0.00017972);(134.363427,0.00014979);(134.956104,0.00594585);(134.97865,0.00231709);(134.996466,0.00034609);(135.044401,0.00008331);(135.080835,0.00006539);(135.116169,0.00003957);(136.045946,0.00003925);(136.974332,0.00066458);(137.059346,0.00007868);(139.066215,0.00008658);(140.143058,0.00005203);(142.059153,0.00004133);(142.579618,0.00005188);(143.000847,0.00004186);(143.085522,0.00006859);(144.958343,0.00023287);(145.028315,0.00031727);(145.064839,0.00007254);(146.1481,0.00004089);(146.974342,0.00392771);(147.043992,0.00028768);(147.054463,0.00005219);(147.116768,0.00634123);(147.132796,0.00007952);(147.974273,0.00004039);(148.120031,0.00028947);(148.210124,0.00006247);(148.971815,0.00354063);(149.047024,0.00004264);(150.950963,0.01023251);(150.97021,0.00009951);(152.951562,0.00052925);(152.966608,0.00317556);(152.989121,0.00139894);(153.01818,0.00492401);(153.959235,0.00205327);(154.946877,0.00011729);(154.984924,0.00148001);(155.954707,0.00023823);(156.869339,0.00004126);(157.379031,0.0000762);(157.917595,0.00012925);(157.92643,0.00004724);(158.143845,0.00005205);(158.46226,0.00003959);(158.97407,0.00015313);(158.994951,0.00027723);(159.821143,0.00010446);(160.989944,0.0009024);(161.132097,0.00009803);(162.951358,0.00170655);(163.03887,0.00325729);(163.279907,0.00003893);(164.740705,0.00005401);(164.967089,0.00024388);(164.987626,0.00022465);(165.01868,0.00004866);(165.035737,0.00005053);(165.32565,0.00004594);(165.674203,0.00006415);(166.982722,0.00034826);(168.961568,0.00250956);(169.466523,0.00013074);(172.989901,0.00004517);(172.995603,0.00009903);(173.010731,0.00009182);(174.989776,0.000557);(176.02327,0.00014112);(176.967168,0.00143109);(176.98756,0.00087661);(177.005438,0.00007667);(177.054668,0.00014236);(178.982951,0.00011488);(179.177299,0.00011423);(179.954052,0.0016963);(180.961947,0.00024582);(180.984148,0.00004292);(181.646561,0.00004293);(185.961482,0.00175006);(186.728961,0.00004033);(187.375633,0.00005534);(188.967049,0.00034398);(189.005651,0.00042842);(190.923932,0.00005064);(190.946093,0.00009699);(191.000999,0.00015869);(192.522984,0.00004152);(192.95253,0.00006303);(192.961508,0.00786059);(193.952568,0.00005022);(195.053177,0.00009654);(198.688181,0.00006847);(202.022832,0.0000436);(202.123039,0.00009984);(202.967446,0.00025981);(203.069862,0.00008758);(204.951789,0.00007217);(204.961987,0.01431337);(204.983477,0.00009773);(205.962385,0.0003136);(205.987439,0.00133331);(206.926052,0.000075);(206.977838,0.01028346);(206.988008,0.00014386);(207.977833,0.00022617);(208.97641,0.00012851);(209.012955,0.00003936);(209.89112,0.00004354);(210.971826,0.00329885);(211.028273,0.00006719);(212.939475,0.00006003);(212.967186,0.00008164);(214.63109,0.00235272);(214.64686,0.00476331);(215.617489,0.00013669);(216.910576,0.00004927);(219.173913,0.00065834);(220.957326,0.00004589);(221.026004,0.00005312);(222.898157,0.00029874);(223.962738,0.00071037);(225.042929,0.0000426);(225.886246,0.00007052);(227.022608,0.00068196);(227.642398,0.00005013);(228.8889,0.00219845);(229.07382,0.00010378);(229.89551,0.00025923);(230.831385,0.00014882);(231.896884,0.00010526);(231.994713,0.00005604);(232.883299,0.0010258);(232.94568,0.00032003);(233.89134,0.0029769);(234.899395,0.00137082);(237.007323,0.00023502);(238.967339,0.0005068);(239.03641,0.00009552);(240.908991,0.00124097);(242.908812,0.00074208);(243.066736,0.00017312);(244.012552,0.00004254);(244.883656,0.00236323);(245.883621,0.00008152);(247.882866,0.00015994);(247.906648,0.00028944);(248.878496,0.00018157);(248.898894,0.00011303);(248.936821,0.00019923);(249.88628,0.00003884);(249.906323,0.00007532);(250.893847,0.00533505);(250.95665,0.00006132);(252.134354,0.00156794);(252.893931,0.00007908);(254.491772,0.00004251);(254.663998,0.00015251);(254.978993,0.00004521);(255.017047,0.0003219);(255.065193,0.00167207);(256.068264,0.00007981);(258.899364,0.00069431);(261.977505,0.00016779);(262.894044,0.00395706);(263.250687,0.00006558);(263.89534,0.00009821);(264.90916,0.00228264);(265.939664,0.00101291);(266.89084,0.00003976);(266.90911,0.00060346);(267.91148,0.00004262);(268.884284,0.00012099);(268.905196,0.00129108);(269.081976,0.00089025);(270.052635,0.00006827);(270.899367,0.00866595);(271.033042,0.00080363);(271.059824,1.0);(271.899886,0.00083779);(272.063228,0.1664174);(272.900104,0.00004878);(272.915332,0.00004656);(273.026301,0.00003909);(273.065243,0.02037905);(273.723861,0.00004039);(273.907331,0.00014869);(274.068062,0.00094531);(274.893725,0.00173482);(274.914381,0.00019258);(275.901645,0.00714901);(276.51977,0.0001369);(276.654423,0.00005331);(276.875072,0.00005525);(276.909679,0.00868124);(277.915444,0.00080421);(279.95429,0.000046);(280.887228,0.00010117);(281.896713,0.00007139);(281.911676,0.00027072);(282.919703,0.00186235);(283.059876,0.00006617);(284.899706,0.00047781);(284.919503,0.00130499);(285.075695,0.00098258);(286.894316,0.01038722);(286.913684,0.00024669);(287.025473,0.00028365);(287.036796,0.00012921);(287.054628,0.01434909);(287.093459,0.00007687);(287.879431,0.00008125);(287.895174,0.00101953);(288.058099,0.00163307);(288.246455,0.00004543);(288.909018,0.00037558);(289.005491,0.00003926);(290.925708,0.00027642);(290.947087,0.00059519);(291.896276,0.00098854);(292.897113,0.00005584);(295.119063,0.00004502);(295.927832,0.00368815);(297.928536,0.00004885);(299.056363,0.00004298);(300.147693,0.00024233);(300.908901,0.00005953);(302.073758,0.00004251);(304.886532,0.00004377);(304.904846,0.00069528);(305.04558,0.00108276);(305.467679,0.00003978);(306.051141,0.00004632);(306.919308,0.00259326);(306.940891,0.00006173);(307.135171,0.00265248);(308.918595,0.00032687);(308.936421,0.00383434);(309.006602,0.00388898);(309.150766,0.00393287);(309.916466,0.00013875);(309.937167,0.00015329);(310.009428,0.00007558);(310.154255,0.00020836);(310.914855,0.00019911);(311.165971,0.00025464);(311.294003,0.00261467);(312.297733,0.0002718);(312.81772,0.00014794);(312.979333,0.00008603);(313.204562,0.00035662);(313.897443,0.00014339);(315.018294,0.00007566);(316.277441,0.0000441);(316.904467,0.00072061);(317.033012,0.00016536);(318.128513,0.00012522);(318.920197,0.00086879);(324.326648,0.00004045);(324.978408,0.00034903);(325.146514,0.00035415);(325.985053,0.0000943);(326.99604,0.0006638);(327.016647,0.01145207);(327.161756,0.00331476);(327.182405,0.00022909);(328.02101,0.00152253);(328.164108,0.0000739);(328.905287,0.00043841);(328.926636,0.00010175);(329.05037,0.0021086);(329.176908,0.00533437);(330.052932,0.00036892);(330.18039,0.00053873);(330.92043,0.00316215);(331.011699,0.00004558);(331.049298,0.00006052);(331.214323,0.00008929);(331.921403,0.00020046);(332.935903,0.00062097);(335.041962,0.00006551);(336.839234,0.00046347);(336.929191,0.00003952);(337.937913,0.00005279);(342.989729,0.00893764);(343.995216,0.00130173);(345.027826,0.07352773);(346.031251,0.01155887);(347.033238,0.00121383);(347.059086,0.00021956);(347.187501,0.00291468);(348.190695,0.0000467);(348.952101,0.00070012);(349.020734,0.00107749);(349.071844,0.00054494);(350.946855,0.01317927);(351.018516,0.00009881);(351.947586,0.0019234);(352.97474,0.00112706);(353.841898,0.00046834);(353.971374,0.00015262);(354.954676,0.00004916);(354.990639,0.0002935);(355.934145,0.0000411);(359.043137,0.00088564);(359.992403,0.00117361);(360.839185,0.00091469);(360.999825,0.00335324);(361.109848,0.00009356);(361.84323,0.00006185);(362.001696,0.00012315);(363.000102,0.00004923);(363.038088,0.01992948);(363.997945,0.00015911);(364.041717,0.00262075);(366.989676,0.00040996);(369.027696,0.00117001);(370.984233,0.00011435);(371.989609,0.0000465);(387.038431,0.00097746);(387.150654,0.00007251);(389.180261,0.0041155);(390.058476,0.00005834);(390.183204,0.00008658);(393.210313,0.00004559);(399.098071,0.00014757);(399.584248,0.00014113);(401.167217,0.00019625);(404.253769,0.00004894);(405.161285,0.00097919);(406.84459,0.00006665);(407.192229,0.0000576);(415.18156,0.00025615);(419.129584,0.00018416);(419.175856,0.0005128);(429.319891,0.00003948);(434.530276,0.0000742);(437.235285,0.00187569);(438.239213,0.00004346);(442.089733,0.00011772);(443.333339,0.00036067);(447.292631,0.00050998);(447.348355,0.00010649) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.00022,0.00007481);(50.37384,0.00011025);(51.252998,0.00009295);(51.575036,0.00013967);(51.71876,0.00007888);(51.872261,0.00013968);(51.940687,0.00344208);(52.166711,0.00018789);(52.907706,0.00007535);(53.002902,0.00022425);(53.039257,0.00012787);(53.703249,0.00007383);(54.043567,0.00009301);(55.018555,0.00081163);(55.054956,0.0039001);(55.935108,0.00533066);(56.050133,0.00025863);(56.678476,0.00008074);(56.942902,0.00058436);(56.963967,0.00051923);(56.965512,0.03240508);(57.034199,0.00053471);(57.069181,0.0001613);(57.070597,0.01511159);(57.081882,0.00022514);(57.93549,0.00043821);(58.065804,0.00271556);(58.073919,0.00018225);(58.348085,0.00014907);(58.961151,0.00223264);(59.049815,0.00246919);(59.061084,0.00181864);(59.109544,0.00014843);(59.252072,0.00008782);(59.485109,0.00015051);(60.045082,0.0001814);(60.431886,0.00009019);(61.011356,0.05184141);(61.174163,0.00018931);(62.019179,0.0492226);(62.02109,0.0002076);(62.33758,0.00009191);(63.007108,0.00153715);(63.02699,0.00015131);(63.035755,0.00008194);(63.998417,0.00267094);(64.014943,0.0005159);(65.039225,0.00072389);(67.018519,0.02841068);(67.02059,0.00008007);(67.054858,0.00343381);(68.943305,0.00131152);(68.997767,0.01552827);(69.034141,0.00071148);(69.070484,0.00233019);(70.043321,0.00024642);(70.065735,0.00327208);(70.372401,0.00007733);(70.958528,0.00537985);(70.981032,0.00012045);(71.049762,0.00041902);(71.069522,0.0000943);(71.086157,0.00198052);(71.92995,0.00075224);(72.937742,0.01216734);(73.029013,0.00100648);(73.047346,0.0002588);(73.064033,0.00167866);(74.578539,0.00009539);(74.805129,0.00009233);(74.975875,0.00008682);(79.021788,0.02435613);(79.054786,0.00167363);(79.410225,0.00019879);(79.840219,0.00015973);(81.033995,0.00076196);(81.070445,0.00289306);(82.350827,0.0001955);(83.049447,0.00025877);(83.086049,0.00050913);(83.930309,0.00011275);(84.081233,0.00018726);(84.938125,0.00025616);(84.960203,0.00092253);(85.028875,0.00283495);(85.040131,0.00030284);(85.101652,0.00011971);(86.33808,0.00007839);(87.044569,0.00145866);(87.510326,0.00007376);(88.417931,0.00008577);(88.968907,0.00116772);(89.038888,0.00051359);(89.06013,0.00233045);(89.087823,0.00008732);(89.940304,0.00070106);(90.948129,0.00705083);(91.042627,0.00007958);(91.054736,0.02574602);(91.057709,0.00155597);(91.185617,0.00012373);(91.755008,0.00010059);(92.026875,0.00007925);(92.05797,0.00042644);(93.070267,0.00136602);(93.702701,0.00022418);(93.744947,0.00022025);(95.049593,0.00143583);(95.085919,0.0016698);(97.028683,0.00065927);(98.975744,0.01640333);(100.141154,0.00008907);(101.060029,0.00008088);(101.598565,0.00007936);(102.925973,0.0014203);(102.948348,0.00146874);(103.039144,0.00014943);(104.188772,0.00007108);(104.597926,0.00010136);(104.735934,0.00012222);(105.070138,0.00296276);(105.945635,0.00022698);(107.029579,0.00020702);(107.049404,0.00142882);(107.085928,0.00064256);(107.363962,0.00013486);(108.958471,0.0001761);(109.028663,0.00026437);(109.179218,0.0001044);(109.513139,0.00009269);(111.0079,0.0015206);(111.094889,0.00007507);(112.010573,0.00011298);(113.765844,0.00018433);(114.385827,0.00020624);(115.054461,0.00029219);(115.767704,0.00009852);(115.84558,0.00008636);(116.645366,0.00007369);(116.96378,0.00143068);(116.986063,0.01250982);(117.033651,0.00029425);(117.070012,0.00055862);(117.388433,0.00020967);(118.943005,0.00066985);(118.979614,0.00009748);(119.049321,0.10017389);(119.054298,0.00124329);(119.085554,0.00201924);(119.951294,0.00008218);(120.052566,0.00878159);(120.080873,0.00008043);(120.940601,0.00194454);(121.028553,0.03051147);(122.031828,0.00087977);(122.506652,0.00007463);(122.520993,0.00010309);(122.941106,0.000129);(123.007941,0.00009951);(123.044155,0.00075308);(124.039332,0.00024787);(125.02325,0.00026167);(125.076268,0.0001161);(126.682165,0.00007718);(126.933373,0.0001602);(127.039043,0.00022598);(128.963691,0.00479487);(128.985615,0.00066329);(129.018279,0.00877558);(129.069979,0.00012412);(129.383484,0.0000738);(130.979233,0.00160155);(131.000282,0.00061168);(131.049102,0.00110533);(131.085324,0.00007159);(132.09328,0.00040293);(132.690852,0.00008475);(132.958204,0.00260738);(132.995221,0.00007213);(133.017337,0.00009231);(133.100721,0.00009203);(134.956054,0.01105139);(134.973489,0.00028114);(134.978709,0.0040357);(134.996434,0.00363344);(135.043929,0.00082676);(135.927437,0.00012159);(136.914772,0.00011097);(136.974495,0.00027827);(137.011624,0.00007091);(137.023038,0.00012173);(137.927715,0.00020206);(137.988378,0.00009141);(138.934965,0.00019649);(138.951026,0.00057178);(138.98376,0.00013662);(139.006613,0.00016479);(141.069761,0.00156949);(142.978994,0.00025825);(143.000229,0.0001958);(143.914243,0.00020283);(144.057612,0.00009192);(144.958455,0.00581636);(144.980003,0.0006567);(144.994789,0.00022362);(145.016486,0.00011559);(145.028322,0.02920892);(145.064812,0.00063123);(146.031546,0.00153113);(146.059975,0.00008095);(146.956471,0.00041525);(146.968153,0.00012329);(146.974239,0.01866931);(147.043805,0.00050734);(147.080262,0.00022189);(147.116725,0.00347233);(147.974271,0.00046956);(148.531457,0.00019899);(148.956311,0.00007739);(148.971776,0.01223953);(148.989497,0.0007685);(149.023053,0.00020957);(150.950956,0.01407604);(150.968616,0.00319633);(150.984042,0.00008886);(151.020143,0.00050284);(152.951478,0.00121139);(152.96657,0.00625083);(152.989171,0.00297502);(153.018088,0.22820507);(153.482749,0.00020869);(153.711405,0.00011772);(153.959175,0.00664206);(154.021433,0.01655275);(154.650139,0.00007885);(154.984819,0.00067814);(155.022364,0.00059501);(155.049048,0.00026568);(155.954684,0.00144507);(156.958801,0.00007453);(156.994565,0.00020375);(157.016819,0.0007189);(157.06473,0.0010998);(158.974206,0.00014904);(159.010144,0.00009909);(160.989796,0.00020201);(162.951331,0.00128874);(162.96873,0.0001791);(163.038836,0.02234361);(163.045593,0.0000784);(163.976873,0.00078988);(164.042056,0.00053986);(164.649688,0.00014552);(164.966914,0.00038256);(164.999507,0.00008356);(165.017837,0.00008078);(165.035928,0.00051724);(165.595615,0.00026609);(165.904932,0.00023654);(166.715276,0.00013289);(166.981981,0.00105961);(167.975717,0.00012596);(168.961455,0.00378406);(169.012947,0.00015953);(169.064683,0.00212336);(170.962935,0.00043127);(170.973426,0.00007567);(171.028624,0.03299492);(172.031846,0.00116016);(173.059508,0.000844);(173.386877,0.00011227);(174.990108,0.00036985);(175.075862,0.0001794);(176.967192,0.00012701);(176.98589,0.00126505);(177.80338,0.00013116);(177.938035,0.00013743);(178.432635,0.00008644);(178.46622,0.00009262);(179.051762,0.00012312);(179.954116,0.00257951);(180.887702,0.00046562);(181.351207,0.0000898);(182.996169,0.00021058);(183.028806,0.0000743);(184.004422,0.00011629);(185.059775,0.00053425);(185.94904,0.00062456);(187.038814,0.00617741);(189.005922,0.00009085);(190.923482,0.0001918);(191.168452,0.00007612);(191.880501,0.00087903);(192.961309,0.00109534);(193.017031,0.00024365);(193.102235,0.00010157);(194.974467,0.0002776);(194.996374,0.0019451);(195.947784,0.00016044);(197.011809,0.00055033);(197.059606,0.00328433);(201.006626,0.00075885);(201.054536,0.00057377);(203.070082,0.00429733);(204.888731,0.00011021);(204.961674,0.00012953);(205.987592,0.00126501);(206.867628,0.0001704);(206.925867,0.00072268);(206.977658,0.00511867);(207.157125,0.0002355);(207.875729,0.00080086);(208.883355,0.00189423);(208.989648,0.00022177);(209.011849,0.0004671);(209.891284,0.00246262);(210.972041,0.00074221);(211.027583,0.0010895);(211.038494,0.0004734);(211.847949,0.00021518);(213.006848,0.00008003);(215.070281,0.00039298);(217.016914,0.00035737);(218.86799,0.00162165);(220.092384,0.00008214);(220.88361,0.00066261);(220.902567,0.00029576);(221.189791,0.00044075);(221.20342,0.00051042);(221.211017,0.00056586);(221.225108,0.00123102);(221.238164,0.00026629);(222.89859,0.00589688);(223.928225,0.00017891);(224.878128,0.00048081);(224.899163,0.00027478);(225.007013,0.00008511);(225.054293,0.01325922);(225.886102,0.00305665);(226.057898,0.0005766);(226.894247,0.00029566);(227.022398,0.00322691);(228.888879,0.00498682);(228.959546,0.00008987);(229.049308,0.01277038);(229.074109,0.00007174);(229.199855,0.00009868);(229.895831,0.00058727);(230.052946,0.0000781);(230.972967,0.00042102);(232.882966,0.00057211);(232.903852,0.00028802);(233.891004,0.0043682);(234.899038,0.00907234);(235.027414,0.00529715);(235.899737,0.00014551);(237.006705,0.00222042);(238.913807,0.00043602);(239.466558,0.00020962);(239.912519,0.00021851);(240.908941,0.01304982);(241.016683,0.00073191);(241.910498,0.00007177);(242.909426,0.00381903);(243.065025,0.01526938);(244.068035,0.00132875);(244.883711,0.00755484);(244.904867,0.00030641);(245.033028,0.00009295);(245.883681,0.00008054);(247.027362,0.00019289);(247.059873,0.00564271);(247.906038,0.0006369);(248.316082,0.00015964);(248.87823,0.00245954);(248.898963,0.00018029);(248.983188,0.00102459);(249.885732,0.00012416);(249.906468,0.00008174);(250.893898,0.0028014);(251.071008,0.00007404);(251.902872,0.0000868);(253.037317,0.00037983);(253.050035,0.00167591);(253.068099,0.00021341);(253.917352,0.00120777);(255.017204,0.00622712);(255.065025,0.00197332);(255.082701,0.00011477);(256.540831,0.00015147);(258.994764,0.0010065);(259.027445,0.00591886);(260.030701,0.00007228);(260.900309,0.00056756);(262.132421,0.00009335);(262.575331,0.00016305);(262.894364,0.01263574);(263.894712,0.0007228);(266.888843,0.00103614);(266.910729,0.00025139);(266.92571,0.00229151);(267.926075,0.00010531);(268.883647,0.00016315);(269.045022,0.00033772);(269.082007,0.0008535);(270.051906,0.0001922);(270.899994,0.00026112);(271.032728,0.00076981);(271.059701,1.0);(272.063188,0.16696683);(272.087688,0.00051102);(272.26488,0.00015247);(273.027576,0.00055431);(273.065345,0.02149637);(274.067912,0.00068675);(275.90174,0.00029569);(276.875856,0.00026743);(276.90919,0.00038667);(277.004758,0.00758213);(277.038013,0.003297);(277.710373,0.00024294);(278.011412,0.00054335);(279.016523,0.00010826);(281.895844,0.00041987);(283.02771,0.00101108);(284.934811,0.00013208);(285.006502,0.00013737);(286.226848,0.00013195);(286.89451,0.00074838);(287.035928,0.00234161);(287.054669,0.01399694);(288.038772,0.00008485);(288.057642,0.00056808);(289.03894,0.00037227);(291.020237,0.00019329);(291.896559,0.00028155);(295.015613,0.00009972);(295.928127,0.00053325);(299.022343,0.00080208);(301.038136,0.00097149);(303.017096,0.00124164);(304.904904,0.00051554);(305.045862,0.00816931);(305.973474,0.0002496);(306.04902,0.00030761);(307.135137,0.0010235);(308.936184,0.00486012);(309.0072,0.00299989);(309.149985,0.00010427);(309.936727,0.00024711);(311.071513,0.00025774);(311.497199,0.00009382);(312.838792,0.00043734);(317.013733,0.00009287);(317.032813,0.00567433);(317.486517,0.00022544);(321.026692,0.00011938);(323.056377,0.00012146);(324.979152,0.00079448);(326.996809,0.00015177);(327.017257,0.01274369);(327.16287,0.0000768);(327.824537,0.00009856);(328.021073,0.00137531);(329.030253,0.00010124);(329.050548,0.00374287);(330.05282,0.00058702);(331.046744,0.00013543);(335.044125,0.00026347);(339.460573,0.00008583);(342.989493,0.0101128);(343.99429,0.00085599);(344.019543,0.00016168);(344.828711,0.00045431);(345.027871,0.07356191);(346.031332,0.0116521);(347.033984,0.00077683);(347.059193,0.0001949);(347.973566,0.00022689);(349.021125,0.00071178);(349.070876,0.00007269);(349.209438,0.00016742);(350.944751,0.0000981);(352.974263,0.0005749);(353.055794,0.00018693);(354.990184,0.00033279);(355.598946,0.00008914);(359.043387,0.00059961);(359.99133,0.00031927);(361.00019,0.0038011);(362.003725,0.00007757);(363.038166,0.01489818);(364.042005,0.00131405);(370.985463,0.0001604);(388.943614,0.00009391);(410.450036,0.0000917);(428.676817,0.0001128);(431.782849,0.00016416);(447.346139,0.00104189);(448.3487,0.0001044) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (68.99765427,0.4176939099);(87.00821896,0.6255501373);(95.04968984,0.2978135763);(99.00821896,0.7080462271);(117.0187836,0.7939531219);(119.0344337,0.2307568307);(147.0293483,0.3360888928);(159.0293483,0.8852636111);(175.0242629,0.325407077);(177.039913,2.420532791);(241.0500838,0.2138965515);(253.0500838,0.6251015099);(255.0657338,1.615849098);(259.097034,0.2350948448);(261.112684,0.2350948448);(271.0606485,39.85117663);(275.0919486,0.4803743162);(299.0555631,0.2885763294);(341.0661278,0.2037489946);(353.0508716,0.3726594968);(383.0766924,0.2289720035);(385.055957,0.2607498426);(401.0872571,0.6259466299);(405.0821717,0.2713889977);(411.0716071,2.40304622);(411.0716071,1.842401335);(411.0716071,1.566008976);(429.0821717,9.110188474);(429.0821717,6.051138776);(429.0821717,6.364390233);(447.0927364,20.11308972) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (43.01838972,0.5769234463);(68.99765427,0.2771828909);(79.01838972,0.2802885715);(87.00821896,0.4104779527);(95.04968984,0.3952156632);(131.0344337,0.6199223697);(153.0187836,0.2493317502);(159.0293483,2.877436969);(175.0242629,0.2618726845);(177.039913,3.272806906);(179.0344337,0.4159334766);(229.0500838,1.467281025);(231.0657338,0.2666470065);(241.0500838,3.306207022);(245.0449984,0.4665744853);(253.0500838,5.820431878);(255.0657338,1.805250302);(271.0606485,64.96732161);(311.0555631,0.525333812);(313.0712131,0.2915080192);(353.0508716,0.2583359974);(383.0766924,0.6316885861);(401.0872571,0.8972305903);(411.0716071,0.8113418442);(411.0716071,1.30887423);(411.0716071,0.9141871299);(417.0821717,0.3207800698);(429.0821717,1.852321373);(429.0821717,1.211821795);(429.0821717,1.238502679);(447.0927364,2.000967866) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,2.151684523);(55.01838972,1.861515737);(59.01330434,1.054160821);(68.99765427,1.203299423);(73.0289544,0.6663421845);(75.00821896,0.6516983431);(79.01838972,2.286208041);(87.00821896,4.617406031);(89.02386902,0.9863380964);(91.03951908,0.8247379523);(103.0031336,0.7821553424);(105.0187836,0.8004578666);(117.0187836,2.652871298);(119.0344337,0.7250069815);(119.0496898,4.497135183);(121.0289544,0.7155676834);(131.0344337,1.417130279);(145.0289544,1.8460859);(153.0187836,2.826057364);(159.0293483,2.217072841);(179.0344337,1.675140078);(225.0551691,0.7044265962);(229.0500838,4.332556724);(241.0500838,16.49003135);(243.0293483,1.191589464);(253.0500838,8.859420948);(255.0657338,5.223055444);(271.0606485,23.04872302);(275.0919486,1.513141826);(299.0555631,1.340897922);(311.0555631,0.8380847361) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (41.00273965,0.900785263);(44.99765427,0.3935800116);(59.01330434,0.6734715557);(71.01330434,2.177574276);(73.0289544,0.7018915671);(87.00821896,1.381208977);(93.03403978,0.8303685931);(101.023869,0.5557054291);(103.0031336,1.687544524);(103.0395191,0.4361745634);(115.0031336,0.4023203637);(117.0187836,2.649102599);(133.0136983,0.4951182746);(147.0293483,2.025873916);(175.0242629,1.32571717);(251.0344337,0.6052631095);(253.0500838,0.4945704042);(269.0449984,25.26472712);(293.0449984,0.4056541645);(311.0555631,1.579362382);(327.0504777,1.024691163);(341.0661278,0.6669393628);(371.0766924,0.4814990109);(383.0766924,2.922771288);(399.0716071,3.823958378);(401.0872571,8.230125786);(415.0665217,0.6687910184);(427.0665217,0.7362828514);(427.0665217,2.807944236);(427.0665217,2.419458085);(445.0770864,31.23152455) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00273965,1.096857799);(43.01838972,1.892356892);(59.01330434,1.847769094);(71.01330434,0.6582426928);(72.99256889,1.022637893);(73.0289544,1.853350747);(84.99256889,0.6662558765);(87.00821896,2.793082593);(101.023869,0.6338021792);(103.0395191,1.873842521);(115.0031336,0.7387180739);(117.0187836,0.9580481851);(131.0344337,0.7065312914);(145.0136983,0.672091667);(147.0293483,1.23699825);(175.0242629,1.133214482);(227.0344337,0.9166512409);(251.0344337,2.842726575);(253.0500838,0.7716796632);(269.0449984,50.94356717);(311.0555631,1.382228984);(327.0504777,1.453706344);(341.0661278,0.683256212);(383.0766924,4.380318577);(399.0716071,2.599689033);(401.0872571,4.801802807);(415.0665217,0.6108734154);(427.0665217,0.5530846878);(427.0665217,1.408120037);(427.0665217,2.3769006);(445.0770864,4.491594418) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,2.285305907);(43.01838972,4.587383793);(56.99765427,0.9650984263);(59.01330434,2.673746258);(61.0289544,3.601406629);(67.01838972,0.5680250858);(71.01330434,1.404994427);(73.0289544,2.075248216);(77.00273965,0.5817591456);(84.99256889,0.6132189624);(87.00821896,1.343259068);(101.023869,0.6286507174);(117.0340398,6.671727952);(125.023869,0.6385795604);(131.0344337,2.994435558);(143.0133043,1.001144238);(151.0031336,2.254252841);(201.0187836,0.5289201963);(201.0551691,1.225918972);(215.0344337,1.056989015);(227.0344337,8.256176603);(237.039913,0.6146109032);(239.0344337,2.216322884);(243.0293483,0.5669202679);(251.0344337,6.101798928);(253.0136983,0.68623364);(253.0500838,1.337033962);(269.0449984,40.11083783);(279.0504777,0.5100925532);(309.039913,1.355939277);(403.0665217,0.5439681801) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (269.04554,100.0);(445.07763,73.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (113.00328,11.0);(268.03771,100.0);(269.04554,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (268.03771,100.0);(269.04554,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (271.06009,100.0);(447.09218,50.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (271.06009,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (271.06009,100.0) |
| 
