| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (72.015837,0.00740214);(72.628669,0.00015532);(72.746443,0.00020973);(72.991795,0.00275256);(73.028135,0.05493683);(74.145713,0.000105);(75.007374,0.00022892);(76.077527,0.000172);(77.221459,0.00014945);(77.430137,0.00018401);(77.845811,0.00020702);(78.552361,0.00007368);(78.623818,0.00014725);(78.669524,0.00013322);(80.600294,0.00009108);(80.605765,0.00015616);(80.980056,0.00006913);(81.033244,0.01861193);(82.846517,0.00015325);(82.974071,0.00008585);(83.012524,0.03481801);(83.327174,0.00016596);(83.406442,0.00015491);(84.146156,0.00019008);(85.013588,0.00010433);(85.028163,0.13646617);(85.031028,0.00296737);(85.931648,0.00018525);(85.999576,0.00254878);(86.031532,0.00225913);(86.178365,0.00013788);(86.379122,0.00017527);(86.557987,0.00008592);(87.007434,0.09067266);(87.043739,0.0008087);(87.854989,0.00016932);(88.010819,0.00099824);(89.023113,0.13843604);(89.041593,0.00019987);(89.448748,0.00017417);(90.026443,0.0025756);(90.452692,0.00009462);(91.497932,0.00018443);(92.001268,0.00019927);(93.789592,0.00006395);(93.96185,0.00011758);(95.012546,0.06840551);(95.071526,0.00009652);(95.836748,0.00010523);(96.015917,0.0023526);(96.364946,0.00021705);(96.95881,0.00402241);(97.02822,0.0815102);(97.616303,0.0000758);(97.798809,0.00006204);(98.031527,0.0022404);(98.172542,0.00021692);(98.383972,0.00015845);(98.869404,0.00013237);(99.007496,0.02711821);(99.043879,0.00691723);(99.656207,0.00016604);(101.023157,0.2672456);(101.041758,0.00022669);(102.026514,0.00899136);(103.840717,0.00017006);(104.82305,0.0001493);(107.012478,0.00050861);(107.049049,0.00019967);(108.015772,0.00012241);(108.291839,0.00019694);(108.647797,0.00020953);(109.0283,0.00218658);(110.185842,0.00016686);(110.309635,0.00011393);(110.874387,0.00007676);(111.007541,0.00302203);(111.043826,0.0027955);(112.015403,0.00169628);(112.127601,0.00019227);(113.001209,0.00019748);(113.023206,0.37686358);(114.026559,0.01612776);(114.942092,0.00009587);(115.038852,0.01804182);(115.920056,0.00006881);(118.926206,0.00010773);(119.033754,0.03221805);(119.049053,0.00011915);(119.179125,0.0001582);(121.028332,0.00014295);(123.007873,0.00058911);(123.044015,0.00049665);(124.015384,0.00217668);(124.444682,0.00018427);(124.667141,0.00015898);(125.023215,0.10232289);(126.026654,0.00354554);(127.038937,0.00192503);(127.102413,0.00016811);(128.32834,0.00014615);(129.018148,0.00280047);(129.217805,0.00019195);(129.255375,0.00021941);(130.084333,0.00021176);(131.03379,0.0362079);(131.575512,0.00015317);(132.037513,0.00009767);(135.044101,0.0043506);(135.891538,0.00017653);(136.854949,0.00011181);(137.023147,0.00110587);(137.059661,0.00133508);(137.269316,0.00020674);(139.136116,0.00020149);(141.018482,0.00010808);(142.963122,0.00008672);(143.033868,0.15381729);(144.037319,0.00757544);(146.156192,0.00019294);(149.044396,0.01353574);(149.059521,0.00019731);(153.05469,0.00698339);(153.673223,0.0000757);(155.033873,0.00061322);(157.049991,0.00017948);(159.028942,0.01151964);(159.627709,0.00018893);(160.326894,0.00014048);(161.044506,0.2194122);(162.048053,0.01162248);(162.867163,0.00011392);(163.039036,0.00013194);(164.605968,0.00006874);(167.033666,0.00033997);(173.275301,0.00012376);(174.252869,0.0002355);(176.516011,0.00011661);(177.784601,0.00016432);(179.033528,0.00028139);(179.055176,0.0134603);(180.462137,0.00013905);(181.049923,0.00251596);(185.045156,0.00007896);(185.85078,0.00015575);(188.968768,0.00015846);(190.595506,0.00012517);(190.677748,0.00016215);(191.146353,0.00018155);(193.329675,0.00009508);(193.759142,0.00018592);(195.931281,0.00009751);(202.95782,0.00009911);(203.055737,0.00006883);(204.447977,0.0001151);(207.861052,0.00023078);(209.044588,0.00012475);(212.672459,0.00006854);(216.399523,0.00007957);(221.066217,0.03791597);(222.069681,0.00031839);(228.107476,0.0001872);(235.94829,0.00018132);(237.155341,0.0000759);(245.053477,0.00008974);(245.06647,0.01513129);(245.299392,0.00018488);(252.512484,0.0001467);(254.789589,0.00009328);(255.029872,0.00010269);(263.077575,0.0006523);(265.430879,0.00014348);(266.070654,0.00009519);(266.136671,0.00022396);(272.093934,0.00010991);(275.077868,0.00074514);(278.62619,0.00019536);(282.137381,0.00013249);(282.722556,0.00018603);(287.355538,0.00009036);(292.94597,0.00007578);(293.088016,0.00358469);(294.229088,0.00017569);(296.327843,0.00011196);(297.309301,0.00009783);(302.694673,0.00024145);(304.200403,0.00091383);(304.755177,0.00012355);(305.087723,0.00034089);(313.54637,0.00022476);(314.739514,0.00017365);(322.935145,0.00019689);(323.097057,0.00038484);(328.359475,0.00018347);(329.445103,0.00020606);(334.405277,0.00023234);(339.255937,0.00017678);(339.92996,0.00015725);(344.200464,0.00016222);(346.487123,0.00020478);(346.979033,0.00008748);(348.983592,0.00013379);(353.08237,0.00007023);(359.003416,0.00019732);(362.859778,0.00020951);(413.191883,0.00011858);(414.336766,0.00026005);(443.149277,0.00020035);(454.60729,0.00022898);(456.348214,0.00139386);(468.809659,0.00015916);(479.990976,0.00010531);(482.876488,0.0001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| | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (71.754829,0.00016811);(72.249614,0.00016895);(73.028464,0.09279912);(74.031791,0.00013718);(74.051606,0.0000923);(74.29997,0.00011358);(76.262243,0.00012464);(76.91291,0.00021353);(78.288086,0.00020179);(78.704568,0.00012829);(79.054339,0.00210682);(80.041883,0.00021623);(80.24318,0.00016909);(80.538009,0.00015564);(80.584963,0.0001176);(81.033536,0.00987168);(81.069938,0.01023915);(81.178662,0.00021672);(81.77923,0.00018426);(82.260279,0.00024749);(82.29784,0.00022492);(82.630317,0.00017816);(83.085582,0.00023438);(83.432666,0.00019825);(85.028474,0.20738754);(85.06768,0.00020721);(85.212059,0.00011822);(86.031806,0.00462599);(86.096463,0.00023561);(87.044152,0.00970585);(87.535306,0.00017683);(88.190974,0.00020076);(88.470956,0.00016964);(89.994985,0.00019067);(90.133868,0.00018833);(91.039053,0.031032);(91.054295,0.00243506);(91.386291,0.00018441);(91.664289,0.00014205);(91.797392,0.00021736);(91.940806,0.00011536);(93.070061,0.00290626);(93.503167,0.00009866);(94.178485,0.00023431);(94.497859,0.00021683);(95.085513,0.00529037);(96.080785,0.00318378);(97.028486,0.1253905);(97.044303,0.00023674);(97.06494,0.00020597);(97.784332,0.00023037);(98.03185,0.00353637);(98.096516,0.00183737);(99.044117,0.01215713);(99.080543,0.00093947);(100.291649,0.00011108);(101.023536,0.0001253);(102.900873,0.00010446);(103.038976,0.00213612);(103.765472,0.00011999);(103.819422,0.00010835);(105.070011,0.00753231);(106.277694,0.00020694);(107.085611,0.01184332);(108.051686,0.00017291);(109.028501,0.01861359);(109.101233,0.01113236);(110.032906,0.00022002);(113.797524,0.00020024);(114.091432,0.04200749);(115.039049,0.08656667);(115.094247,0.00022562);(115.348636,0.0001976);(116.04244,0.00111149);(117.070007,0.00184632);(117.557531,0.00018545);(118.099982,0.00011241);(118.750063,0.00019884);(119.085607,0.00462315);(120.351808,0.00021688);(121.093735,0.00025095);(121.101318,0.00931593);(123.080071,0.00009774);(123.117164,0.00021867);(124.112211,0.0432856);(125.115598,0.00058021);(126.122669,0.00134312);(126.127791,0.09041433);(127.039044,0.08962438);(127.111766,0.01063739);(127.131075,0.0045925);(128.042326,0.00310378);(128.153083,0.00020788);(129.965689,0.00016146);(131.085735,0.00378099);(131.593949,0.00019921);(133.04954,0.01985973);(133.101277,0.01023486);(135.116892,0.00576973);(136.934401,0.00016338);(143.085234,0.00052457);(144.138431,0.00723846);(145.049586,0.12827883);(145.101093,0.02009346);(146.053021,0.00439213);(146.10464,0.00019597);(147.116829,0.03148857);(148.120178,0.00050617);(149.132724,0.00406024);(151.111887,0.00358581);(153.128121,0.000192);(153.899354,0.00012694);(154.453134,0.00019619);(157.101332,0.00284677);(158.647771,0.00020318);(159.116887,0.0195754);(161.132438,0.05921781);(161.17093,0.00011069);(162.135932,0.00436362);(163.060063,0.03150883);(163.112061,0.0013637);(163.147827,0.0002561);(164.063116,0.00013176);(164.155892,0.00016151);(166.742788,0.00022869);(167.285017,0.00021762);(168.138185,0.00092211);(169.024828,0.00010803);(169.049617,0.00061928);(171.116854,0.00130759);(173.132551,0.01601493);(175.148156,0.00098945);(182.203441,0.00011123);(185.132601,0.00176878);(185.887692,0.00021373);(187.060691,0.00024132);(187.148034,0.00134105);(189.851817,0.00013272);(193.049612,0.00024064);(194.102522,0.00085283);(197.850143,0.00016189);(199.148219,0.0027277);(205.864718,0.00010411);(206.964855,0.00020432);(211.06096,0.00018122);(211.148204,0.00016702);(213.163974,0.00136552);(215.179306,0.0007562);(215.30063,0.00015824);(216.267345,0.00017071);(217.535398,0.00027907);(223.060324,0.00213716);(227.179269,0.00024413);(229.071451,0.00019348);(233.724625,0.00025864);(241.070921,0.00654008);(246.963725,0.00017348);(253.195172,0.01363439);(254.198684,0.0026801);(254.941258,0.00018247);(255.210785,0.16275485);(256.214079,0.02409028);(259.08154,0.00215202);(261.026455,0.00013837);(271.205628,0.00286538);(271.689211,0.00017257);(273.221144,0.05373389);(274.025286,0.00020006);(274.225039,0.00766288);(295.103564,0.00016704);(304.189508,0.00017492);(304.253842,0.00019247);(318.64961,0.00020367);(318.899845,0.00011367);(324.008655,0.00015176);(325.005176,0.00020067);(335.847366,0.00018482);(356.180115,0.00027201);(363.237626,0.00021296);(363.305252,0.00026883);(378.315534,0.0011226);(380.331311,0.01690705);(381.312842,0.0002804);(381.336597,0.00089792);(387.361759,0.00026027);(395.96458,0.00018786);(396.326505,0.00377656);(396.769994,0.00014575);(398.341569,0.03165889);(399.079513,0.00016813);(399.345522,0.00626806);(401.159458,0.00010728);(401.64299,0.00023696);(414.336849,0.00301951);(416.352215,0.04058848);(417.356393,0.00963657);(431.304279,0.00024842);(435.274891,0.00738406);(436.112746,0.00022006);(447.388596,0.00020203);(455.653444,0.00011894);(458.363016,0.00019541);(462.576559,0.00024117);(465.984697,0.00017016);(474.6741,0.00013061);(487.108647,0.00018598);(495.948072,0.00011053);(498.021009,0.00011195);(512.731406,0.00012753);(530.601158,0.00011107);(540.765966,0.0002164);(543.867526,0.00012339);(560.39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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (71.897054,0.00180298);(72.339975,0.00141117);(72.507391,0.00083113);(72.829123,0.0020308);(73.028463,0.4555984);(74.187339,0.00102542);(74.433162,0.00178464);(75.575385,0.00115644);(77.033951,0.00164865);(78.008064,0.00138299);(78.323494,0.0018249);(78.60415,0.00131515);(79.054254,0.05857461);(80.049676,0.00409756);(81.033527,0.09097625);(81.069943,0.09590614);(82.065255,0.00085361);(83.013101,0.00208887);(83.085602,0.00781571);(84.080687,0.0019403);(84.312369,0.00090607);(85.028462,1.0);(86.031852,0.01555148);(86.096663,0.00176182);(86.270718,0.00141887);(86.4949,0.00160507);(86.500993,0.00191661);(87.044108,0.05046843);(88.641847,0.00146676);(89.795555,0.00160686);(89.883422,0.00120639);(91.039024,0.10875618);(91.054256,0.06125394);(93.069933,0.06957989);(93.478934,0.00105389);(95.04927,0.00418775);(95.085545,0.08364486);(96.08078,0.01783856);(97.028477,0.60450519);(97.06498,0.00143028);(97.091155,0.00090933);(97.898779,0.00212508);(98.031725,0.01094223);(98.096355,0.01196479);(99.044127,0.0787414);(99.047394,0.00093546);(99.182137,0.00093741);(101.023195,0.00265948);(103.038989,0.01122533);(103.872265,0.00135356);(105.066473,0.000806);(105.069973,0.13205634);(105.783659,0.00079917);(107.085521,0.10676681);(109.028431,0.12073424);(109.101191,0.08456206);(110.041037,0.00157685);(110.304317,0.00130707);(114.091379,0.10743699);(115.039026,0.21554565);(116.813318,0.00160285);(117.069864,0.01434534);(118.107578,0.00160231);(119.085552,0.08769801);(120.393259,0.00151759);(121.10121,0.04567211);(121.22303,0.00129951);(123.116704,0.00806609);(124.112198,0.24355483);(125.115415,0.00164341);(126.127761,0.3891808);(126.13283,0.0018433);(126.278174,0.00120936);(127.039024,0.33713866);(127.111889,0.00814849);(127.131211,0.00854744);(128.037045,0.00101209);(128.042527,0.00337835);(131.085551,0.04688857);(131.485288,0.00107544);(133.049496,0.01423069);(133.101247,0.09057691);(133.982832,0.00139463);(134.416907,0.00155521);(135.116762,0.0382535);(135.525899,0.00205683);(137.597567,0.0014298);(138.325884,0.00159817);(139.038818,0.00202725);(139.099178,0.0021353);(141.195056,0.00128125);(143.085751,0.0055948);(143.477507,0.00145422);(145.049638,0.22238176);(145.101252,0.1478161);(145.278856,0.0014667);(146.104395,0.00172488);(147.116821,0.24335825);(148.12016,0.00948424);(148.503459,0.00172563);(149.132572,0.01442194);(150.127721,0.00139058);(151.111662,0.00427424);(155.447496,0.00092932);(155.995177,0.00139781);(157.101161,0.01967344);(157.442675,0.00206444);(159.116953,0.15115415);(160.120351,0.00103656);(161.132526,0.47857333);(161.540589,0.001135);(162.135719,0.02480716);(163.060285,0.00364719);(164.143534,0.00645834);(165.149733,0.00138167);(169.336497,0.00179014);(169.869673,0.0016452);(171.116955,0.00496569);(173.132586,0.11273316);(173.185869,0.00104962);(177.126334,0.00135667);(184.261774,0.00097895);(185.132736,0.01606812);(185.207445,0.0019373);(185.217474,0.00207367);(187.147959,0.00736484);(188.954336,0.00140957);(197.560514,0.00138381);(199.147967,0.01926318);(201.591636,0.00147715);(202.070328,0.0011645);(204.603489,0.00144652);(207.679808,0.00176821);(210.406032,0.00128533);(211.269207,0.00176117);(213.164006,0.00327072);(215.17911,0.00349314);(216.078275,0.00155797);(217.111469,0.00096279);(223.435476,0.00114938);(227.491862,0.00160332);(233.094735,0.00154522);(237.165066,0.00191873);(241.070409,0.00176469);(248.317501,0.0007622);(248.452247,0.00139589);(251.512779,0.00214214);(253.195191,0.01553276);(253.886809,0.00150057);(254.198001,0.00127264);(254.755762,0.00132663);(254.905727,0.00136744);(255.210755,0.30568904);(256.213927,0.03069478);(259.856395,0.00123263);(273.22153,0.02325848);(274.348334,0.00201099);(278.878077,0.00195293);(279.209426,0.00169587);(285.621663,0.00145648);(295.37092,0.00140561);(300.263106,0.00093415);(311.632982,0.00153355);(314.326821,0.00143504);(325.092587,0.00137951);(329.908975,0.00183043);(340.326573,0.00154667);(341.244388,0.00156644);(343.07931,0.00128355);(345.106129,0.00130049);(345.656251,0.00135728);(350.886779,0.00165832);(351.611347,0.00082904);(351.68258,0.00152407);(372.839561,0.00156558);(372.984567,0.00159071);(380.33046,0.03904749);(381.335267,0.00162065);(387.821124,0.00100492);(388.556741,0.00153452);(398.341218,0.05705094);(399.343454,0.00587377);(407.355179,0.00182132);(413.63924,0.00151806);(416.351566,0.0067229);(446.69803,0.00139159);(447.897246,0.00149634);(453.907411,0.00147492);(454.162005,0.00129234);(458.710716,0.00078131);(463.758168,0.00132619);(473.131682,0.00208157);(483.034379,0.0009506);(521.763891,0.00171788);(527.540123,0.00226378);(541.642685,0.00168701);(543.58677,0.00113031);(544.584961,0.00075092);(560.393741,0.05361909);(561.088457,0.00123281);(561.396848,0.00341418);(563.746508,0.00200143);(583.011996,0.00152028);(598.49229,0.0017474);(598.552688,0.00155785);(619.895949,0.0015108);(650.472508,0.00215089);(659.099594,0.0015285);(683.068601,0.00134582);(690.352566,0.00107111);(707.749771,0.00303759);(707.812204,0.00609809);(747.139119,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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (73.028458,0.48891739);(73.030576,0.00213153);(73.555308,0.00169418);(74.646778,0.00137569);(77.038705,0.00433987);(79.054253,0.30634563);(79.196742,0.00166545);(79.985527,0.00180879);(80.049483,0.04087055);(80.954493,0.00248269);(81.033516,0.19823623);(81.069929,0.2483284);(82.065125,0.02593155);(83.085486,0.00487529);(84.080812,0.01320277);(85.028455,1.0);(85.031301,0.00932396);(85.88361,0.00260236);(86.03186,0.00463497);(86.805063,0.00190291);(87.044167,0.0259348);(87.769584,0.00138702);(89.192789,0.00254049);(89.669743,0.00247638);(90.353446,0.00162076);(91.039007,0.02477921);(91.054273,0.37961635);(92.740645,0.00227311);(93.069947,0.23351291);(94.065154,0.03044399);(94.073032,0.00189635);(95.049153,0.09257037);(95.073047,0.02223616);(95.085543,0.15623326);(96.07387,0.0026679);(96.080761,0.03321518);(96.702385,0.00267796);(97.02847,0.63019615);(97.894156,0.00271685);(98.031892,0.00513319);(98.096386,0.01158772);(98.128211,0.00132242);(99.044124,0.04725212);(100.898972,0.00253442);(101.023446,0.00974424);(101.338469,0.00112054);(102.842614,0.00194593);(103.054387,0.00232866);(104.020862,0.0027687);(104.533176,0.00208067);(105.04494,0.00888423);(105.06994,0.60581112);(105.492751,0.00283278);(106.073262,0.00908565);(107.085555,0.18741526);(108.080564,0.00934681);(108.769671,0.00207135);(109.028447,0.10246913);(109.088521,0.01050576);(109.10115,0.09252669);(109.172682,0.00251268);(109.885572,0.00232684);(110.096576,0.00302566);(114.091327,0.08210259);(115.039097,0.03214734);(115.054289,0.01211215);(115.273615,0.00234004);(117.069877,0.12359994);(117.449906,0.0029122);(117.704221,0.0014388);(119.085579,0.29042887);(120.088483,0.00519476);(121.101244,0.03332717);(122.096624,0.00167372);(122.653262,0.00305001);(124.112213,0.18057977);(124.116913,0.00320031);(124.777702,0.0028329);(125.047771,0.00137641);(125.120014,0.00290067);(126.127753,0.24290726);(127.038972,0.10909518);(127.757055,0.0029605);(128.061861,0.00344068);(128.166565,0.00235319);(128.867995,0.00127953);(129.069958,0.02280459);(130.077636,0.00532446);(130.901204,0.00214345);(131.085531,0.15284708);(132.820725,0.00256835);(133.101184,0.13080038);(135.116746,0.01414994);(138.127644,0.00265087);(139.102562,0.00196118);(140.504512,0.00252055);(142.077463,0.00925531);(142.688165,0.00272733);(143.085675,0.0227469);(143.76385,0.00281134);(144.093928,0.00237292);(145.101318,0.18109742);(147.116947,0.17811169);(147.755059,0.00260578);(148.112011,0.01493018);(149.488875,0.0024944);(149.979654,0.00219782);(150.127978,0.02099671);(152.142984,0.00213675);(152.215725,0.00145008);(154.457913,0.00157734);(154.487336,0.00217313);(155.085783,0.00193179);(156.585806,0.0033394);(157.101307,0.0367671);(158.221777,0.00265371);(158.909702,0.00221982);(159.116878,0.15185587);(161.132526,0.36414378);(161.453792,0.00274673);(162.127905,0.01818402);(162.13567,0.02506094);(164.00194,0.00244141);(164.143522,0.01053403);(167.552786,0.00176631);(171.116595,0.0077819);(171.898763,0.00225496);(173.132537,0.06000966);(173.851366,0.00213183);(174.548276,0.00249494);(175.162252,0.00196521);(175.679713,0.00231934);(178.158722,0.00160989);(178.615204,0.00209396);(182.152699,0.00211076);(185.132546,0.00594389);(186.213503,0.00207676);(187.148076,0.00237666);(191.10286,0.00227502);(197.411578,0.00330923);(199.148103,0.01536752);(199.381564,0.00219639);(203.308335,0.00222877);(204.330043,0.00280178);(207.548181,0.00178601);(219.332016,0.00296431);(219.465438,0.01744392);(219.471606,0.0258148);(229.160865,0.00221559);(229.526188,0.00200575);(234.837176,0.0014416);(236.047321,0.00198153);(247.975011,0.00297464);(249.97943,0.00192628);(254.980359,0.00244586);(256.34347,0.0022948);(257.542312,0.00209863);(261.758036,0.00194093);(263.589484,0.00192436);(264.781378,0.00238355);(267.804955,0.00171326);(270.713318,0.00236863);(273.797965,0.00216392);(275.788876,0.00269567);(280.720296,0.00231962);(283.523546,0.00270839);(291.990116,0.00272439);(294.576561,0.00265592);(327.138441,0.00280216);(329.851239,0.00243539);(331.031867,0.00224803);(332.068942,0.00306736);(337.87801,0.00291946);(343.301077,0.0014982);(351.509549,0.00260474);(352.91971,0.00252414);(361.198098,0.00149335);(363.859342,0.00220774);(380.330451,0.02800271);(386.540361,0.00215108);(387.886943,0.0028646);(393.074529,0.00211751);(397.281848,0.00255666);(398.341084,0.10415965);(399.344041,0.0131927);(402.945887,0.00241953);(439.162331,0.00158214);(447.348228,0.00150965);(506.547959,0.00118581);(519.594156,0.0017425);(541.250169,0.00239931);(551.147764,0.00211276);(553.051865,0.00270543);(558.124929,0.00124481);(558.906577,0.00141161);(560.393403,0.05019684);(561.397061,0.00208557);(573.162074,0.00290303);(585.591729,0.00257885);(590.660029,0.00233184);(598.428339,0.00273585);(624.099582,0.00235977);(657.088504,0.00300995);(674.698076,0.00333803);(687.885091,0.00250059);(706.675309,0.00237163);(729.494732,0.0024582);(738.962337,0.00289957);(741.356868,0.00171068);(758.099088,0.00228399);(773.723926,0.00248081);(853.98121,0.00218629);(858.096229,0.0021303);(866.523606,0.00299417);(904.247779,0.00267093);(929.116964,0.00243833);(974.282681,0.00247929) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (71.871345,0.00055147);(72.015807,0.01389353);(72.364581,0.00147812);(72.597784,0.00106614);(72.991845,0.00760504);(73.028136,0.21952595);(73.059264,0.00042027);(73.136462,0.00145661);(73.465285,0.00127246);(74.031387,0.00190998);(74.730698,0.00167303);(75.552968,0.00103157);(77.251275,0.00113631);(78.624389,0.00137014);(79.185727,0.00070486);(79.826114,0.00069764);(81.033244,0.04000364);(81.452861,0.00048568);(82.184914,0.00061409);(83.012516,0.17168394);(83.103847,0.00123099);(83.281529,0.00157472);(83.65768,0.00119235);(83.791802,0.00067232);(84.380486,0.00062946);(84.822948,0.00074384);(85.028164,0.64138771);(85.136219,0.00154343);(85.280198,0.00105974);(85.999633,0.06332793);(86.031552,0.01380943);(87.007468,0.24641362);(87.673522,0.00074232);(88.005828,0.00139355);(88.010639,0.00153213);(88.443019,0.00120506);(88.802707,0.00128817);(89.023118,0.24016256);(89.041502,0.00168396);(89.347642,0.00069784);(89.792325,0.00081377);(89.99901,0.00118362);(91.051521,0.00108875);(93.432126,0.00054065);(93.880977,0.00126035);(95.012539,0.23793718);(95.487104,0.00152268);(96.015782,0.00159456);(96.049981,0.00061321);(96.958784,0.00631912);(97.028239,0.26724614);(98.031579,0.00136716);(98.4663,0.00100603);(98.560244,0.00149768);(99.007499,0.11075991);(99.043849,0.00696355);(99.135326,0.00151109);(99.590505,0.00127865);(100.011371,0.00104231);(100.644065,0.00046786);(101.023169,0.93237538);(102.026471,0.01970769);(103.251207,0.00118837);(103.940829,0.00070118);(105.26116,0.00072084);(106.091024,0.00109021);(107.012893,0.00049643);(107.10089,0.00122388);(108.43844,0.00048201);(108.496047,0.00060294);(109.193539,0.00124598);(109.671614,0.00115843);(109.985547,0.00106354);(110.988856,0.00125844);(111.007589,0.00786439);(112.015358,0.02307007);(112.366728,0.00188047);(113.023204,1.0);(114.02651,0.03779794);(115.038753,0.02003424);(115.114062,0.00123505);(117.017635,0.00153677);(118.075179,0.00083662);(118.135751,0.00082888);(119.033693,0.02255851);(121.748607,0.00075533);(121.835582,0.00129443);(123.417432,0.00108);(124.015404,0.00714273);(124.964255,0.00149096);(125.023218,0.22819155);(125.750255,0.00120903);(126.026412,0.00296942);(126.073322,0.00143216);(126.917103,0.00053298);(129.537701,0.0008204);(129.821975,0.00073575);(130.315684,0.00115083);(131.033848,0.04731158);(132.96466,0.00137362);(135.044273,0.0029619);(137.811418,0.00074074);(139.038094,0.00121735);(140.727419,0.00081426);(140.798396,0.00185514);(143.033831,0.17203363);(144.042638,0.00080206);(145.71896,0.00104164);(146.834232,0.0013374);(146.984882,0.00075276);(149.043877,0.0006235);(152.794346,0.00139844);(153.054473,0.00198654);(159.028231,0.00089156);(161.044498,0.35486326);(162.048026,0.002894);(166.69031,0.00110891);(167.166276,0.00120538);(168.364489,0.00060116);(173.923843,0.00117898);(180.864605,0.00150626);(181.049917,0.00128246);(185.718934,0.00142961);(187.153556,0.0006556);(193.399488,0.00145543);(208.395585,0.00044825);(209.690456,0.00059347);(212.830793,0.00047712);(214.005986,0.0011286);(215.962047,0.00048045);(221.066087,0.0046102);(221.300827,0.00123316);(225.749627,0.00132437);(225.93548,0.00045822);(228.212029,0.00118515);(228.261365,0.00053048);(229.609004,0.00068644);(231.050445,0.00075873);(231.703156,0.00117958);(233.831076,0.00051797);(234.482518,0.00063249);(238.27216,0.00128856);(239.109056,0.00139637);(240.42927,0.00158591);(240.677286,0.00113524);(241.205406,0.000707);(242.244067,0.0016371);(252.813967,0.00050512);(253.570524,0.00153176);(259.475501,0.00140977);(262.68956,0.0018002);(265.822618,0.00093518);(267.779554,0.00134901);(270.943371,0.00115828);(274.93812,0.00113788);(275.09702,0.00139407);(280.485761,0.00146639);(282.040588,0.00060015);(284.976572,0.00176184);(287.434152,0.00121743);(288.412681,0.00049395);(298.59316,0.00129349);(304.200295,0.00150247);(304.221896,0.00076647);(308.66908,0.00170724);(312.530158,0.00119945);(352.225155,0.00109487);(366.435207,0.00054315);(374.028244,0.00081903);(375.550515,0.00119122);(407.259049,0.00128284);(407.598422,0.00093657);(407.913646,0.00080141);(410.159427,0.00060154);(421.348804,0.00153569);(428.097317,0.0012867);(442.37868,0.00136791);(445.175092,0.00050125);(456.348293,0.02981373);(460.94787,0.0005664);(465.965017,0.00094801);(475.024573,0.00146741);(483.014387,0.0014443);(484.343404,0.01670451);(485.347889,0.00075856);(494.246235,0.00076029);(510.361976,0.00049632);(516.693839,0.0017632);(531.262733,0.00052693);(533.459186,0.0013874);(534.204992,0.00054451);(544.686619,0.00127713);(546.074074,0.00046371);(555.239852,0.00083166);(576.340018,0.00099079);(576.390388,0.3346251);(577.39416,0.10497494);(579.305877,0.00065538);(600.408124,0.00127309);(601.971688,0.00064426);(616.823015,0.00055236);(617.314549,0.00133273);(631.448181,0.00156672);(636.106478,0.00045141);(648.898112,0.00115266);(651.907541,0.0007139);(672.414212,0.00083508);(688.14107,0.00061332);(708.010283,0.00199648);(708.098161,0.00267341);(708.198036,0.00193549);(708.309327,0.00554413);(708.993929,0.00128242);(719.744946,0.00082823);(720.067929,0.00177951);(729.667215,0.00140923);(796.141443,0.00190622);(820.059801,0.00146824);(826.789078,0.00062225);(834.58596,0.00174094);(845.06752,0.00077368);(862.954096,0.0016334);(872.984282,0.00055877);(899.327016,0.00082101);(1005.698666,0.00084482);(1016.453763,0.00155236);(1035.355623,0.00192651) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (71.951207,0.00095944);(72.015901,0.00739822);(72.125504,0.0010037);(72.502623,0.00313144);(72.945191,0.002774);(72.991778,0.00899028);(73.028121,0.15957804);(73.560947,0.0010951);(74.146436,0.00245887);(74.741605,0.002151);(74.939094,0.00302294);(75.288138,0.00389227);(76.084969,0.00089605);(77.728766,0.00141032);(77.789423,0.00152948);(77.871853,0.00108604);(79.083759,0.00147166);(79.489564,0.00113815);(79.956256,0.00125929);(80.337139,0.00091554);(80.371942,0.00224296);(81.03319,0.0210512);(81.086465,0.00330755);(81.31367,0.00248);(82.222513,0.00162353);(82.802826,0.00275874);(82.949205,0.00232356);(83.012485,0.23015376);(84.020211,0.00488595);(85.013588,0.00248);(85.028168,1.0);(85.034746,0.00431869);(85.258863,0.00185731);(85.999599,0.1024954);(86.031503,0.00567459);(86.769603,0.00217516);(86.958175,0.00250497);(87.007469,0.27651539);(88.834768,0.00174658);(89.023098,0.04018952);(89.677271,0.00241243);(89.801598,0.00256156);(90.340113,0.00275586);(91.526375,0.00219279);(91.725942,0.00090953);(92.280352,0.00099384);(93.089465,0.00224623);(94.13346,0.00108441);(95.012539,0.29007754);(95.051642,0.00215666);(95.710257,0.00289595);(96.894332,0.00102312);(96.958854,0.01211142);(96.986003,0.0024065);(97.028199,0.23766547);(97.249054,0.00253315);(98.617636,0.00231972);(99.007499,0.06718583);(99.535554,0.00089916);(99.876615,0.00233608);(100.010855,0.00226963);(100.678902,0.00248682);(101.02319,0.29574065);(101.306025,0.0031231);(101.723299,0.00096664);(103.673887,0.00351398);(106.392661,0.00326635);(106.70321,0.00299513);(108.178678,0.00256319);(108.495901,0.00215119);(109.028106,0.00280323);(109.079607,0.00126071);(111.007594,0.00517561);(111.043467,0.00154325);(112.015323,0.01327535);(112.391775,0.0026966);(112.421052,0.00100406);(113.023206,0.36603485);(113.707667,0.00097433);(115.919263,0.00094635);(116.44455,0.00142807);(118.901987,0.0032674);(119.882261,0.00260508);(121.208974,0.00087238);(121.517555,0.00237334);(125.023236,0.08345788);(126.380219,0.00217637);(128.610651,0.00126674);(128.778253,0.00251132);(128.83087,0.00112581);(131.458704,0.00317415);(136.597628,0.0010485);(137.023723,0.00245894);(138.913372,0.00269536);(140.283995,0.00130418);(141.033169,0.00273208);(143.407445,0.00353434);(145.360463,0.0024147);(147.017252,0.00170459);(149.876301,0.00227516);(150.641371,0.00310022);(150.87447,0.00152444);(151.152046,0.0028003);(151.950304,0.00310216);(153.900649,0.00117406);(154.712381,0.00345036);(156.847111,0.00314308);(160.909444,0.00123453);(167.362982,0.00314169);(167.581257,0.00089977);(167.691588,0.00337166);(168.574333,0.00084933);(172.874394,0.00229108);(173.425993,0.0029371);(178.14419,0.00217755);(180.662018,0.0024193);(181.383878,0.00162369);(182.016921,0.00358378);(199.13097,0.00136392);(200.803974,0.00164118);(203.313707,0.0010631);(204.713062,0.00267464);(205.660194,0.00251918);(208.048947,0.00215697);(208.366477,0.00111387);(209.777131,0.00101747);(211.513006,0.00256949);(214.084774,0.00212924);(219.622054,0.04811253);(219.6438,0.01002397);(219.650398,0.00383683);(222.360791,0.00320656);(229.621969,0.00247799);(230.138089,0.0027638);(230.629717,0.00269844);(233.16209,0.00085001);(234.951923,0.0009941);(235.288361,0.00377752);(243.669655,0.00119594);(243.933268,0.00321081);(245.315753,0.00340778);(246.509538,0.00289912);(258.882554,0.00279654);(277.736903,0.00118765);(280.107776,0.00294145);(293.148367,0.00302582);(294.248069,0.00350768);(297.27005,0.00261737);(302.659583,0.00291985);(303.330019,0.00153824);(303.49403,0.00294414);(311.111745,0.00300613);(312.299821,0.0030485);(316.769768,0.00181645);(318.952386,0.00153697);(320.597361,0.00231445);(324.337119,0.00264707);(331.993578,0.00108324);(337.163859,0.00167036);(344.086203,0.00234151);(346.577521,0.00099537);(356.192222,0.003341);(379.394505,0.00136559);(387.234171,0.00257726);(392.900135,0.00220544);(406.964229,0.00172886);(409.826552,0.00237711);(414.254083,0.00265273);(415.383771,0.00120087);(417.025041,0.00173772);(419.656564,0.00170555);(456.349779,0.00249367);(459.485509,0.00372084);(489.45593,0.00125486);(495.984358,0.00163459);(501.357604,0.00286003);(506.455343,0.0011734);(542.930509,0.00250381);(567.396896,0.00117733);(585.936955,0.00109089);(593.494341,0.00345235);(597.996177,0.00094941);(608.85937,0.00248376);(616.142673,0.00317406);(620.775448,0.0038881);(625.255174,0.00376563);(642.30372,0.00257145);(647.754649,0.00153974);(661.76751,0.00307398);(684.81171,0.00307155);(692.444415,0.00234304);(701.579238,0.00251493);(746.404143,0.00173392);(786.562661,0.00415251);(793.888024,0.00271027);(815.217228,0.00115874);(889.394787,0.00391542);(900.337211,0.00320155);(932.580611,0.00340574);(1028.948864,0.00273324);(1030.958808,0.00251077) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (73.0289544,0.5951375831);(103.0395191,0.4824625964);(133.0500838,1.360255225);(163.0606485,2.344240105);(181.0712131,1.338096066);(344.2589543,0.5684415454);(348.2902545,0.5708994419);(384.32664,0.600985798);(386.34229,0.6649917901);(398.34229,9.006128038);(416.3528547,15.6064035);(457.1557306,0.7544382816);(529.17686,0.5270200939);(559.1874247,0.4780831841);(560.3951134,6.707045931);(578.4056781,9.823565636);(619.208554,0.4387387851);(706.4530222,0.5132255372);(722.4479369,2.631501128);(738.4428515,3.075102839);(854.4901956,9.583061548);(856.5058457,0.6829970042);(872.5007603,4.049589604);(884.5007603,7.645450034);(886.5164104,0.4174417031);(902.511325,4.23848361);(962.4596833,0.4783943286);(964.4753334,0.5907470058);(1016.543019,3.929511849);(1016.543019,6.732339873);(1034.553584,3.565220338) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (133.0500838,1.9596615);(145.0500838,1.013619677);(163.0606485,2.554605808);(181.0712131,1.040079074);(255.2112759,1.313076255);(273.2218405,0.5876257222);(275.2374906,1.569176777);(295.1029072,0.742973553);(303.2687907,1.020678766);(319.2637054,1.061608134);(325.1134719,0.7379247879);(342.2796898,0.5901409282);(398.34229,8.456451038);(414.3372046,0.6234488218);(416.3528547,23.77727915);(437.290314,0.8393897377);(457.1557306,0.7701529914);(487.1662953,0.5669763116);(560.3951134,5.824624531);(578.4056781,10.91427379);(722.4479369,1.735722448);(724.4635869,0.6160677477);(731.3853962,0.5888401626);(738.4428515,8.075802873);(740.4585016,3.484846847);(854.4901956,6.709729623);(872.5007603,2.028335805);(884.5007603,6.788248369);(902.511325,1.876016846);(1016.543019,1.319904956);(1016.543019,0.8127169644) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,1.021791975);(73.0289544,1.538544689);(75.04460446,0.9937676176);(103.0395191,1.140327121);(128.1439246,2.605247511);(133.0500838,1.186116759);(145.0500838,1.119177924);(163.0606485,4.613494516);(295.1029072,1.991697162);(325.1134719,1.986695249);(342.2796898,1.366213469);(356.2953398,1.130866578);(358.3109899,1.022858752);(370.3109899,0.964860331);(384.32664,4.075711829);(386.34229,4.29531485);(398.34229,4.238665422);(414.3372046,1.497274637);(416.3528547,20.16552577);(457.1557306,1.421851633);(487.1662953,1.39611666);(560.3951134,3.35761891);(578.4056781,7.477446749);(722.4479369,3.178221018);(738.4428515,12.64605842);(740.4585016,1.604984743);(854.4901956,3.531699293);(884.5007603,3.632562896);(958.5011542,1.539099995);(1016.543019,1.513311122);(1016.543019,1.746876404) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (56.99765427,2.095026845);(59.01330434,1.177601286);(73.0289544,1.77129662);(87.00821896,1.756448666);(101.023869,1.253985051);(103.0395191,1.934550234);(131.0344337,2.00989469);(133.0500838,1.517208298);(149.0449984,3.054430412);(161.0449984,2.210727577);(179.0555631,6.211729986);(396.32664,5.272087127);(414.3372046,11.99203069);(455.1400805,1.454696833);(473.1506452,1.255300521);(545.1717746,1.284267377);(558.3794634,1.998576458);(559.1874247,1.245921887);(576.3900281,6.417570353);(589.1979893,1.282360337);(778.4377661,1.075291289);(808.4483308,1.788426293);(852.4745455,7.118814255);(870.4851102,3.919738869);(882.4851102,2.678902003);(900.4956749,3.313838671);(958.5011542,1.871443987);(1002.527369,1.603628834);(1014.527369,2.55097988);(1014.527369,8.800340615);(1032.537934,8.082884059) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (59.01330434,1.158581888);(73.0289544,1.643270125);(103.0395191,0.9763144649);(131.0344337,3.89738685);(133.0500838,2.319225265);(149.0449984,3.821936483);(161.0449984,5.241388208);(177.039913,1.047550596);(179.0555631,9.874072595);(293.0872571,1.031308038);(396.32664,3.747816139);(414.3372046,19.97305851);(455.1400805,1.456493954);(558.3794634,2.622693909);(558.3794634,1.006942218);(576.3900281,7.437151031);(602.4056781,0.9537071758);(720.4322868,2.234106214);(722.4479369,1.098522251);(778.4377661,0.9409651303);(780.4534162,2.506939825);(852.4745455,3.442268928);(870.4851102,1.78229609);(882.4851102,3.036346027);(900.4956749,1.503495142);(944.5218897,0.9931350864);(962.4596833,1.335405032);(1000.511719,1.133428122);(1002.527369,2.482996263);(1014.527369,1.580933647);(1014.527369,7.72026479) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,2.328618144);(43.01838972,7.333815549);(59.01330434,2.965393406);(73.0289544,2.948658991);(89.02386902,1.609867448);(101.023869,1.369130095);(103.0395191,2.101886268);(124.1126244,1.466800809);(131.0344337,2.446800632);(133.0500838,1.519929294);(147.0293483,2.063974948);(149.0449984,7.07482261);(161.0449984,4.00652294);(179.0555631,11.36281934);(309.0821717,1.086375929);(339.0927364,1.029275118);(396.32664,1.720471806);(397.3106556,1.818280964);(398.3059045,1.617874645);(398.3059045,1.704809816);(412.3215546,1.175001438);(414.3372046,20.64779722);(454.3321193,1.172220341);(456.3477693,1.53439116);(576.3900281,7.248739055);(736.4272014,2.460260857);(738.4428515,1.652066244);(780.4534162,1.039197784);(940.4905895,1.451113579);(942.5062396,1.028123868);(1000.511719,1.014959702) |
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