| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.257022,0.00007156);(50.286848,0.00007281);(50.739071,0.00005846);(51.899671,0.00007673);(51.926387,0.0000741);(52.249461,0.0000777);(52.423286,0.00006878);(52.672556,0.00006409);(53.492742,0.00006797);(53.874134,0.00005678);(54.013023,0.00008255);(54.19602,0.0000811);(54.71857,0.00008124);(55.11965,0.00005925);(55.361266,0.00008029);(55.866077,0.00007895);(56.480906,0.00008836);(56.502332,0.00005541);(56.563693,0.00007027);(56.837154,0.00007793);(57.58864,0.00007639);(58.489397,0.00006319);(58.776785,0.00006224);(59.012525,0.0111024);(60.182185,0.00006273);(60.49598,0.00006783);(61.376269,0.00007272);(61.41556,0.00006391);(61.98707,0.00597361);(62.066736,0.00006894);(62.598864,0.00006235);(62.97059,0.00007722);(63.210793,0.0000877);(63.530573,0.00007005);(63.730604,0.00005742);(63.961151,0.00245001);(63.969374,0.00006019);(64.348014,0.00007074);(64.705553,0.0000593);(64.84212,0.0000961);(65.001941,0.00898191);(65.126441,0.00007455);(65.572444,0.0000798);(65.698513,0.00007531);(65.990555,0.00005439);(66.596028,0.0000578);(66.766415,0.00005198);(66.926022,0.00005998);(68.267502,0.00006015);(68.579023,0.00007334);(69.61881,0.00005367);(69.711218,0.0000599);(70.240793,0.00006696);(70.342163,0.00008966);(70.592283,0.00005468);(70.673898,0.00007242);(71.01255,0.0013833);(71.424401,0.00006379);(71.648447,0.00006683);(71.827467,0.0000626);(72.127368,0.00008003);(73.028202,0.00041233);(74.181164,0.0000627);(74.994611,0.00008442);(75.078747,0.00005955);(76.195811,0.00006731);(76.292357,0.00008699);(76.299797,0.00005771);(76.865793,0.00006277);(77.284647,0.00006255);(78.140938,0.00006387);(78.606436,0.00007797);(78.705789,0.00006044);(78.984653,0.00534756);(79.500405,0.00006452);(79.956141,0.00063812);(80.302052,0.00006301);(80.349164,0.00005895);(80.411025,0.00007723);(80.987928,0.00006087);(81.033291,0.00007763);(81.189153,0.00006686);(81.781434,0.00006351);(81.842514,0.00007915);(82.05485,0.00005568);(82.34022,0.00006996);(82.633326,0.00005797);(82.831366,0.00005653);(83.012626,0.00431134);(83.222705,0.00009767);(83.335486,0.00007403);(84.259698,0.0000571);(85.028259,0.00033201);(86.643683,0.00006145);(86.962673,0.00009019);(87.007559,0.00018443);(88.521344,0.00006844);(89.023137,0.00095001);(89.118136,0.00006185);(90.327068,0.00011037);(90.488823,0.00009347);(91.297836,0.0000606);(91.448787,0.00007872);(92.038584,0.0000745);(93.312213,0.00006509);(93.887884,0.00007122);(93.928425,0.00005877);(94.979595,0.02371672);(95.01262,0.00006756);(95.543767,0.00009201);(95.617559,0.00005935);(96.959057,0.00031621);(96.975495,0.00048536);(97.106,0.00006641);(97.921965,0.00008119);(99.225972,0.00006347);(100.533598,0.0000672);(100.590954,0.00007617);(101.02319,0.00186487);(101.138257,0.00009472);(101.408379,0.00005857);(101.60823,0.00007483);(101.670478,0.00006096);(103.953964,0.0000806);(104.425406,0.00006046);(105.895524,0.00007746);(106.065385,0.00009273);(107.008922,0.00008981);(107.012664,0.02436644);(107.828832,0.00007103);(107.903473,0.00006114);(108.016017,0.0005848);(109.028312,0.02148192);(110.031838,0.00010133);(111.533005,0.00008089);(111.86713,0.00006885);(113.023161,0.00056562);(113.272347,0.00007115);(114.258167,0.00005321);(114.300911,0.00005897);(114.941817,0.00007084);(115.661802,0.00005828);(116.075063,0.00008566);(116.660523,0.00007409);(117.626363,0.00008717);(118.709924,0.00006611);(119.922035,0.00005748);(119.980709,0.0000621);(120.936447,0.00007461);(121.028446,0.0001008);(121.173948,0.00005972);(121.508395,0.00006915);(121.862195,0.00007159);(122.211214,0.00008926);(122.803227,0.00008097);(123.002111,0.00006979);(124.377756,0.0000692);(125.023299,0.02745039);(126.026589,0.00062048);(126.146802,0.00007945);(126.573369,0.00009301);(127.939878,0.00007021);(128.211001,0.00006765);(129.967693,0.00007161);(130.021111,0.00006944);(131.412448,0.00007836);(134.036208,0.0009031);(134.361451,0.00008216);(135.007953,0.00042133);(135.044092,0.34043442);(136.047459,0.02867025);(136.276779,0.00006167);(137.023383,0.00173363);(137.048852,0.00010263);(137.203846,0.00007593);(138.945906,0.00007269);(139.445081,0.00006636);(139.48757,0.00005755);(141.425103,0.00007613);(142.304407,0.00007812);(143.034073,0.00029907);(147.104124,0.00006837);(148.874024,0.0000603);(149.023479,0.0036516);(150.992328,0.00057401);(151.002688,1.0);(151.114726,0.00007425);(151.548873,0.00007225);(152.00607,0.07520786);(152.016348,0.00006986);(153.007272,0.007647);(155.910036,0.00010758);(157.373132,0.00008268);(157.953998,0.00005642);(158.585266,0.00010096);(159.491232,0.00006614);(161.023579,0.03162651);(162.026734,0.00168326);(164.01065,0.0070414);(165.018659,0.00964755);(167.034234,0.00124791);(167.321018,0.00007023);(167.344291,0.00006025);(169.013367,0.00848613);(171.357201,0.00006282);(173.022625,0.00008514);(174.03155,0.00075974);(175.002913,0.03927652);(176.006076,0.00228394);(176.976519,0.00007123);(177.018516,0.01791755);(178.021809,0.00050261);(179.034177,0.0001687);(181.091743,0.00007011);(181.558142,0.00008801);(181.944098,0.00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| | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (52.849388,0.00026796);(54.009731,0.00035354);(55.034992,0.00026617);(55.055029,0.00090651);(55.349528,0.00031764);(55.728979,0.00031499);(56.051789,0.00031134);(56.303647,0.00030066);(57.034291,0.0113662);(57.070664,0.01452416);(58.065945,0.00478356);(58.085182,0.00029163);(59.049947,0.00418877);(59.061174,0.07081765);(59.428146,0.00031585);(59.505982,0.00032369);(60.171022,0.00037264);(61.01143,0.0073916);(61.029176,0.00195287);(62.019267,0.025332);(62.450512,0.00030405);(63.026938,0.00031545);(63.99859,0.00059446);(65.699636,0.00029078);(66.665093,0.00027453);(67.149947,0.00028569);(67.886569,0.00034782);(68.4331,0.00030946);(69.034212,0.01083867);(69.07056,0.00132834);(69.291496,0.0003332);(70.042251,0.00026363);(70.065859,0.00271859);(71.049875,0.06639202);(71.086239,0.00844617);(72.05317,0.00032028);(73.029133,0.00673086);(73.047517,0.00770185);(73.065494,0.00680359);(75.044748,0.00263382);(76.302973,0.00026651);(77.437661,0.00030596);(79.021897,0.06137615);(79.089924,0.00033292);(79.606171,0.00031395);(80.045229,0.0003312);(81.017603,0.00030278);(81.034131,0.00368643);(81.070526,0.00136855);(83.049787,0.00333636);(83.086292,0.00039058);(85.029049,0.1159431);(85.101782,0.00519336);(85.131669,0.00028148);(85.360243,0.00027653);(86.032395,0.00271396);(86.249643,0.00032051);(86.66182,0.00034256);(87.044655,0.02408252);(87.047269,0.00026993);(88.977944,0.00030248);(89.060314,0.0686999);(89.637011,0.00029007);(90.063549,0.00076332);(90.618622,0.00026932);(91.054868,0.00061223);(91.057911,0.01272702);(93.070402,0.00184954);(95.049291,0.00050251);(95.086051,0.00030095);(97.028962,0.01420237);(97.101529,0.00047849);(97.154275,0.00037026);(99.044541,0.00485738);(101.035389,0.00031848);(101.060122,0.00148466);(103.03941,0.0177911);(103.431145,0.00035959);(103.75682,0.00038975);(105.070019,0.00035787);(109.028832,0.00573915);(109.064377,0.00030665);(109.101685,0.0003713);(111.044468,0.00284025);(111.376162,0.0003216);(112.447711,0.00029433);(112.58881,0.00040381);(115.161345,0.00033526);(116.521369,0.00027535);(121.028799,0.00439906);(121.065089,0.00340401);(121.101455,0.00033732);(123.136354,0.00042231);(125.983378,0.00028802);(126.928172,0.00036274);(127.039215,0.01049891);(128.885046,0.00032706);(129.054836,0.01319247);(129.203733,0.00033366);(131.070665,0.00084881);(132.218229,0.00035837);(132.632303,0.00035244);(133.086092,0.02039292);(133.101325,0.00032189);(135.080842,0.00029121);(137.059756,0.00449741);(139.039134,0.01983008);(142.468377,0.0003158);(142.672426,0.00035485);(143.933374,0.00036941);(145.049721,0.00076544);(147.044348,0.00061139);(149.045498,0.00034034);(149.059024,0.00031164);(149.441035,0.00029087);(150.091548,0.02893634);(151.039059,0.0086911);(151.094755,0.0014217);(152.070924,0.00081995);(152.951707,0.00026955);(153.018391,0.05428823);(153.959705,0.0002896);(154.021371,0.00076292);(154.050081,0.00028715);(158.995237,0.00099669);(160.076179,0.00026654);(161.096195,0.0034414);(163.039103,0.02624443);(163.075506,0.00170738);(164.987961,0.00406627);(165.492538,0.00033893);(166.983152,0.00073366);(167.055626,0.00358098);(167.070394,0.01640122);(168.233313,0.0003043);(170.081141,0.00060864);(171.029011,0.01517362);(173.010906,0.00300224);(174.990072,0.00128516);(175.038994,0.00131404);(175.874767,0.00030695);(175.98758,0.00031805);(176.987803,0.00742118);(177.005882,0.00202206);(177.05476,0.01684824);(177.111844,0.00074212);(178.3399,0.00030411);(178.983501,0.00120212);(179.003246,0.00199271);(179.034033,0.00587564);(180.186502,0.00027692);(181.05061,0.00129079);(185.011224,0.00051977);(185.096354,0.00026636);(186.878921,0.00208109);(187.02669,0.00072553);(189.005836,0.00503956);(189.02118,0.00028222);(189.052439,0.00090763);(189.102177,0.00034102);(191.00229,0.00165576);(192.962157,0.00035924);(193.085921,0.00111018);(195.029107,0.0150953);(195.066405,0.00094503);(199.026492,0.00069259);(203.021788,0.00191074);(203.05287,0.00152392);(205.016568,0.00032753);(206.021008,0.00026422);(206.494486,0.0002714);(207.065369,0.00834438);(208.977848,0.00100546);(209.082182,0.00069523);(209.737172,0.00032296);(210.972826,0.00121928);(212.752162,0.00035097);(213.549077,0.00078387);(213.553878,0.00074177);(213.565674,0.00538759);(213.571548,0.00631511);(213.581747,0.01387304);(213.596269,0.00760731);(216.816635,0.00032095);(217.049847,0.01180613);(219.01765,0.0024698);(219.028943,0.00538703);(219.174449,0.00176502);(219.963073,0.00027458);(223.064054,0.00129365);(225.043014,0.00247687);(229.141412,0.00068845);(232.070947,0.00263138);(234.112661,0.00827783);(234.990659,0.00039311);(235.115692,0.00033177);(235.34131,0.00034967);(237.007023,0.00032721);(237.02805,0.00263436);(237.113614,0.00026421);(239.095384,0.00099381);(239.964385,0.00039936);(243.028901,0.00775132);(245.044597,0.00135582);(245.892276,0.01379371);(247.482347,0.00026448);(249.112264,0.02858797);(250.115432,0.00077305);(252.982654,0.00037263);(253.323859,0.00031544);(255.232317,0.00110691);(259.060328,0.00777588);(260.064161,0.00032521);(261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| | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | 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| | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.068616,0.00015574);(50.503587,0.00020817);(50.756015,0.000199);(50.84229,0.00020259);(50.894697,0.00025744);(51.421545,0.00025319);(51.890796,0.00019476);(51.942978,0.00026315);(52.969661,0.00021714);(53.00871,0.00017739);(53.101435,0.00025925);(53.103972,0.0002439);(53.144313,0.00024093);(53.268468,0.00027451);(53.28272,0.00024536);(53.39856,0.00018152);(54.418996,0.00016596);(54.798005,0.00024886);(55.060433,0.00019588);(55.072453,0.00024297);(55.152899,0.00019539);(55.293229,0.00022312);(55.465794,0.0001719);(55.683614,0.00017475);(55.73694,0.00018035);(55.744078,0.00018538);(55.971622,0.00017344);(56.238039,0.00017581);(56.529655,0.00020761);(56.872054,0.00078407);(57.03323,0.00238861);(57.506295,0.00017142);(57.880424,0.00025548);(58.519944,0.0002489);(58.720502,0.00021939);(58.95206,0.0002002);(59.012506,0.01283919);(59.553803,0.00021944);(60.19726,0.0002193);(60.600396,0.00026525);(61.143385,0.0002216);(61.987027,0.00465126);(62.122169,0.00024604);(62.238038,0.00017799);(62.854397,0.00020903);(63.022688,0.02171206);(63.788774,0.00023164);(63.902466,0.00020196);(63.940402,0.00019805);(63.961099,0.00535578);(64.609608,0.00020409);(64.650636,0.00024168);(64.924975,0.00022836);(65.001988,0.36866628);(65.258262,0.0002306);(65.332453,0.00022392);(65.959551,0.00019833);(66.005303,0.01303231);(66.102372,0.00023062);(66.91373,0.00025656);(67.177122,0.00018586);(67.257654,0.0002072);(67.769121,0.00018443);(67.88121,0.00016678);(68.97679,0.00027551);(69.549906,0.00024019);(70.478788,0.0002125);(70.670975,0.00023775);(70.803881,0.00026035);(71.012525,0.00077182);(71.078211,0.00025343);(71.408791,0.00025748);(72.457308,0.00018201);(72.487731,0.00017619);(73.642546,0.00025196);(74.475021,0.00027869);(74.719886,0.00024347);(75.301677,0.00021979);(75.628998,0.00022315);(75.702919,0.00022177);(75.772593,0.0001772);(76.295585,0.00026093);(76.752969,0.00020212);(77.737938,0.00028761);(77.951797,0.00025642);(78.09282,0.00020184);(78.825156,0.00029631);(78.984461,0.00056151);(79.208264,0.00021711);(79.956044,0.00988408);(80.025477,0.00117878);(80.267625,0.00024261);(80.654578,0.00022679);(80.887404,0.00018917);(81.033243,0.00447116);(81.297886,0.00022948);(81.971916,0.0002811);(83.012559,0.12893786);(83.313335,0.00025885);(83.562608,0.00028434);(84.015924,0.00173283);(84.19033,0.00019761);(84.357754,0.00018968);(84.672818,0.00026233);(85.165064,0.00022075);(85.323875,0.00020068);(85.627015,0.00017741);(86.062932,0.00017739);(86.085106,0.00022987);(87.995432,0.00018893);(89.038311,0.00087581);(90.122958,0.00017925);(90.130344,0.00016457);(90.755562,0.00021094);(91.0176,0.00052551);(91.054035,0.00050797);(91.688332,0.00020335);(92.5518,0.00020375);(93.033312,0.00175983);(93.224298,0.00023757);(94.022249,0.00025529);(94.194497,0.00019715);(94.672976,0.00024199);(94.725428,0.00023547);(94.979586,0.02737922);(95.043777,0.0002066);(96.166496,0.00021016);(96.95888,0.00047041);(98.177295,0.0001727);(98.184717,0.00025468);(98.271734,0.0001889);(99.146368,0.00018475);(99.662928,0.00021441);(100.473062,0.00020629);(100.759034,0.00031122);(101.342123,0.00020114);(101.56754,0.00030854);(102.236457,0.00016867);(103.017745,0.00074852);(103.354987,0.00019739);(103.360688,0.00021642);(103.772743,0.00020214);(104.057869,0.00023523);(105.033465,0.00049774);(106.041436,0.00040217);(107.012677,0.37838687);(107.044495,0.00021976);(107.049029,0.01325645);(108.015977,0.02308024);(108.020463,0.02868399);(109.024153,0.00053403);(109.02828,0.0390717);(109.899331,0.00018627);(110.03196,0.00024025);(113.143522,0.00023483);(113.643776,0.00023793);(113.711391,0.00022004);(115.130108,0.00030995);(115.356644,0.00021877);(115.754692,0.00031135);(116.003085,0.00024183);(116.42283,0.00022353);(116.595051,0.00018612);(117.033483,0.02704157);(117.94586,0.00025674);(119.012793,0.00027453);(119.450521,0.00033865);(120.488061,0.00020498);(121.02832,0.0020961);(122.368732,0.00021841);(122.407087,0.0002503);(122.57532,0.00024004);(122.789196,0.00026949);(123.578205,0.00027521);(124.015721,0.00040225);(124.390662,0.00017774);(124.579682,0.00023425);(125.023331,0.02750257);(125.333684,0.0003106);(125.764913,0.0002011);(127.452803,0.00022691);(128.360072,0.00019794);(128.960366,0.00020533);(129.411283,0.000193);(130.85705,0.00020681);(130.880925,0.00023227);(131.012683,0.01086717);(131.416358,0.00019816);(131.543035,0.00021207);(132.120604,0.00023342);(133.028411,0.02579098);(134.036273,0.06675376);(134.813505,0.00027591);(135.007921,0.00031207);(135.013444,0.00028422);(135.044092,1.0);(136.015587,0.01684479);(136.047412,0.08409988);(137.023527,0.00742623);(137.85624,0.00031125);(138.815865,0.00024431);(138.936696,0.0002691);(141.265479,0.00031593);(143.998806,0.00017796);(145.028681,0.00025865);(147.044833,0.00020436);(148.907939,0.00032205);(149.023554,0.0028269);(149.205005,0.00021587);(149.24793,0.00020288);(149.994597,0.00033999);(151.002709,0.41919732);(152.006027,0.03108483);(152.389269,0.00026845);(155.420197,0.00024793);(157.738127,0.00018882);(159.0442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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.098616,0.0004616);(50.539612,0.00055426);(51.721249,0.00044577);(51.954541,0.000539);(53.157309,0.00049543);(53.270676,0.00052765);(53.459889,0.00037192);(54.408333,0.00037516);(54.835807,0.00055012);(55.018716,0.00080601);(55.055035,0.00237465);(55.690233,0.00050325);(55.80655,0.00057218);(56.246766,0.00038872);(57.034293,0.02116265);(57.068624,0.00041121);(57.070675,0.01662166);(58.04218,0.00036294);(58.065946,0.00336868);(58.462766,0.00052911);(59.049985,0.00427216);(59.059692,0.00066162);(59.061165,0.07230526);(59.126226,0.00046809);(59.693227,0.00052141);(59.776251,0.00035653);(60.258356,0.00052209);(60.430021,0.00055389);(60.640372,0.00050867);(61.011449,0.027536);(61.029184,0.00521168);(61.690087,0.00045786);(61.7973,0.00048852);(62.019238,0.03943933);(62.874241,0.00037851);(63.815901,0.00060363);(63.858591,0.00040079);(64.502414,0.00042515);(64.532682,0.00042824);(66.113531,0.00036552);(66.743461,0.00040993);(67.054941,0.00171114);(67.31153,0.0004142);(68.066896,0.00050426);(68.659876,0.00057473);(68.926263,0.0005101);(68.93501,0.00058643);(69.034239,0.01738882);(69.070613,0.00091505);(70.06589,0.00366947);(71.049875,0.08981543);(71.086288,0.00495932);(72.053148,0.00050721);(72.609438,0.00058385);(73.029133,0.01018923);(73.047505,0.01184288);(73.065557,0.002467);(74.822108,0.0003597);(74.961541,0.00048996);(75.044681,0.00290904);(75.966478,0.00042534);(79.021865,0.07018349);(79.395611,0.00047685);(79.470908,0.0005263);(81.034107,0.00718115);(81.070596,0.00097496);(81.601157,0.00049173);(81.669774,0.00061443);(83.049772,0.00472952);(84.921202,0.00047694);(85.029045,0.13632683);(85.101923,0.00151545);(86.03237,0.00082443);(87.04468,0.0229698);(89.060296,0.04451491);(89.22629,0.00040169);(89.428034,0.00035923);(89.561325,0.0004074);(90.648739,0.00041184);(91.054966,0.00210088);(91.057887,0.02302463);(91.060961,0.00038715);(91.92901,0.00036977);(93.070544,0.00110658);(93.493858,0.00035364);(94.218419,0.00054204);(94.582348,0.00048329);(95.04977,0.00048654);(95.086092,0.00106778);(95.902812,0.0006021);(97.028914,0.01818661);(97.10176,0.00041141);(97.698687,0.00042744);(98.825169,0.00059725);(98.975668,0.00188556);(99.044548,0.0030592);(99.420728,0.00044142);(99.941295,0.00049029);(101.194178,0.00040759);(102.183738,0.00070572);(102.547866,0.00038252);(102.602654,0.00036397);(102.996579,0.00051675);(103.039461,0.00961931);(107.085733,0.000388);(108.899979,0.00052814);(109.028772,0.00949142);(109.127792,0.00058901);(111.044575,0.00221927);(111.119664,0.00035272);(111.793099,0.00044484);(111.992608,0.00072917);(112.442056,0.00051609);(113.075921,0.00041406);(115.91284,0.00050303);(116.723094,0.00035992);(117.87361,0.00048413);(118.103604,0.00038978);(119.04967,0.00117461);(119.085488,0.0005228);(121.028663,0.03590502);(121.032786,0.00052712);(121.06501,0.00675406);(121.101407,0.00161942);(121.692811,0.00058894);(122.605662,0.0006983);(123.044211,0.00047272);(124.656206,0.00042034);(125.54502,0.00056481);(126.334686,0.00039675);(127.03921,0.00416136);(127.266333,0.00042572);(129.05506,0.00186314);(132.194525,0.00054917);(133.086017,0.00193183);(133.101032,0.00095356);(135.080504,0.00102201);(135.285956,0.00038617);(137.059821,0.00545258);(137.954545,0.0027549);(138.80692,0.0007417);(139.039124,0.02051117);(143.001273,0.00062486);(145.015856,0.00080674);(145.028572,0.00417352);(145.132954,0.00041512);(147.044332,0.00420144);(147.394694,0.00057791);(148.077,0.00051756);(149.059483,0.00090517);(149.753105,0.00051958);(150.091481,0.02858941);(151.039091,0.01074771);(151.831848,0.00062493);(152.070462,0.0004075);(152.951634,0.0043651);(153.018373,0.12843141);(153.338003,0.00044987);(153.95943,0.01154289);(154.021678,0.00379637);(155.954699,0.00273722);(158.996082,0.00047334);(159.080606,0.00196776);(160.497681,0.00059221);(161.095919,0.00113616);(163.039078,0.06266939);(163.075539,0.00045431);(163.178848,0.00057191);(163.284253,0.00069227);(164.041677,0.00068183);(164.987809,0.00207357);(165.018544,0.00381741);(167.034353,0.0005994);(167.05574,0.00091029);(167.070395,0.01558218);(168.981913,0.00042504);(169.40249,0.00072553);(171.028956,0.03278942);(172.967561,0.00044086);(173.011047,0.00138112);(174.990245,0.00692324);(175.007111,0.00046254);(175.038907,0.00241447);(175.582168,0.00064226);(176.373447,0.00067146);(176.987503,0.00630132);(177.005814,0.00166229);(177.054735,0.01877031);(178.983487,0.00303795);(179.033945,0.00569018);(181.050537,0.00104479);(183.0289,0.00058146);(184.178647,0.00067584);(184.545943,0.00049842);(185.011964,0.00055783);(185.041043,0.0005656);(186.009212,0.00051164);(186.879101,0.00547964);(187.038888,0.00107422);(187.075099,0.00061816);(188.386215,0.00040162);(189.005755,0.00817109);(189.052936,0.0060037);(190.003419,0.00430911);(191.00063,0.00049446);(195.029118,0.02407406);(196.672814,0.00055378);(205.050123,0.00061897);(207.065434,0.00109487);(208.191204,0.00073063);(213.555824,0.00133408);(213.570576,0.02453992);(213.584718,0.02406476);(213.594707,0.0133382);(214.773993,0.00059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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | 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| | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.7791614195);(87.04460446,0.70013348);(109.0289544,0.8178031577);(111.0446045,0.6723080039);(133.0289544,3.075047448);(135.0446045,1.482628407);(137.0602545,1.778594759);(145.0500838,0.5537843648);(147.0657338,3.023212304);(153.0187836,1.342339472);(153.0551691,1.027097525);(155.0344337,0.4798941019);(165.0762985,0.5921905795);(177.0762985,0.7001059119);(219.0868632,0.6355730762);(249.0974279,0.990410767);(253.0500838,0.5305291296);(271.0606485,10.36978506);(273.0762985,0.7014315793);(289.0712131,26.84160089);(309.1185573,1.899970192);(327.1291219,0.5038446287);(433.1134719,3.954889033);(433.1346012,1.341438816);(451.1240366,2.233794511);(459.1138658,0.5125753684);(461.1295159,2.501381009);(561.160816,0.9153992668);(579.1713807,15.26917686);(579.1713807,1.170697846);(597.1819454,12.60320102) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (45.03403978,0.9559420226);(109.0289544,0.5938545425);(111.0446045,0.7637410382);(121.0289544,0.7782358825);(123.0446045,2.128815887);(129.0551691,1.369266987);(133.0289544,0.6087318433);(135.0446045,0.995837112);(137.023869,6.049649115);(137.0602545,1.865705341);(139.0395191,1.194190334);(145.0500838,0.5629072488);(147.0657338,4.083669162);(153.0187836,3.435087774);(163.0395191,0.9219727479);(163.0606485,1.767153342);(165.0762985,1.18980249);(253.0500838,1.578672919);(257.0449984,1.700456753);(259.0606485,6.074040913);(271.0606485,15.28484381);(287.0555631,0.9559124684);(289.0712131,31.03047144);(291.1079926,0.5721872966);(299.0766924,0.9347951949);(309.1185573,1.321329135);(433.1134719,4.206987006);(451.1240366,2.911561521);(567.1713807,1.149153995);(579.1713807,2.209887904);(597.1819454,0.8051367768) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (45.03403978,2.383992523);(51.0234751,0.9914626038);(75.04460446,1.572934072);(77.03912516,4.161774257);(87.04460446,1.033609085);(109.0289544,3.132093158);(111.0446045,1.054667608);(131.0708192,1.307406001);(133.0289544,15.43304845);(135.0446045,2.560582686);(137.023869,4.538746293);(137.0602545,3.556998581);(145.0500838,1.598444156);(147.0657338,2.518906108);(153.0187836,7.722790481);(153.0551691,2.084918138);(155.0344337,2.188733998);(161.0449984,1.345166544);(161.0813839,1.140387122);(163.0606485,4.601925371);(179.0344337,1.564564569);(189.0762985,0.9791155266);(271.0606485,6.682527881);(271.0817778,2.395104689);(287.0766924,1.84170401);(289.0712131,13.19938334);(313.0923425,2.345776018);(535.1451659,1.325338406);(537.160816,1.514057784);(579.1713807,1.26129613);(579.1713807,1.96254441) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (56.99765427,2.764197942);(57.03403978,1.092064918);(59.01330434,0.9560907212);(73.0289544,1.942127684);(87.00821896,2.565417239);(87.04460446,2.020490029);(89.02386902,1.06196701);(101.023869,1.056171217);(109.0289544,1.438282967);(117.0551691,1.239413915);(145.0500838,4.277728554);(163.0606485,6.765987689);(219.0868632,0.7774014039);(235.0817778,1.416629507);(249.0974279,2.058366364);(269.0449984,3.869984571);(279.1079926,1.729215169);(287.0555631,19.12174252);(295.1029072,1.011230426);(307.1029072,0.9556880796);(325.1134719,0.8287445163);(329.0661278,1.265203427);(431.0978218,2.206778931);(431.1189512,1.82109521);(449.1083865,5.113006483);(473.1083865,0.8697676887);(491.1189512,1.124646081);(507.1138658,1.418378268);(509.1295159,0.7609792745);(577.1557306,6.228555354);(595.1662953,20.24264684) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (43.01838972,2.991685507);(59.01330434,2.05951142);(71.01330434,0.8730787679);(73.0289544,1.34118424);(87.00821896,1.331499036);(87.04460446,1.122053224);(89.02386902,4.432191494);(109.0289544,1.462622057);(133.0500838,1.126511473);(145.0500838,10.75221475);(151.0031336,0.9594658778);(161.0449984,1.159803019);(163.0606485,9.732476718);(177.0187836,0.8007804775);(205.0712131,0.7963443077);(243.0293483,1.138597122);(245.0449984,2.675233508);(269.0449984,4.861358084);(279.1079926,0.9669041701);(287.0555631,31.01934485);(299.0555631,1.002439955);(307.1029072,1.520410952);(325.1134719,1.21101512);(345.0610424,0.8249940574);(431.0978218,1.923828287);(431.1189512,1.079595475);(449.1083865,1.717707219);(565.1557306,0.8075335052);(577.1557306,4.396990792);(577.1557306,1.757393501);(595.1662953,2.155231033) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,1.339313288);(43.01838972,3.175959196);(55.01838972,1.395426738);(56.99765427,0.7424430706);(57.03403978,1.753868146);(59.01330434,2.665012624);(73.0289544,2.041271203);(85.0289544,1.094944021);(103.0395191,0.7684146372);(109.0289544,4.361594793);(133.0289544,1.797099239);(135.008219,1.046393205);(135.0446045,4.766981199);(145.0500838,2.780251658);(149.023869,1.772999943);(151.0031336,1.348308153);(151.0395191,1.711957683);(155.0344337,0.8650988066);(161.023869,0.838785198);(163.0606485,8.222347136);(177.0187836,1.290122853);(187.0606485,0.8084725424);(205.0712131,0.745329483);(217.0500838,3.717770424);(243.0293483,2.367886867);(245.0449984,4.983896696);(257.0449984,1.555629011);(269.0449984,6.723783439);(285.039913,1.964815389);(287.0555631,30.60470209);(505.1346012,0.7491212693) |
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