| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.123199,0.00011503);(50.934284,0.00013218);(51.326663,0.00010641);(51.723009,0.00010077);(51.787579,0.00010172);(53.478187,0.00013141);(53.501722,0.00008738);(53.956859,0.0001524);(54.906085,0.00015356);(55.495488,0.00015675);(56.899332,0.00011936);(57.405601,0.00013797);(58.68273,0.00017479);(58.88749,0.00014428);(59.012466,0.00774781);(59.209035,0.00013863);(59.219082,0.00010716);(59.823605,0.00012927);(60.592692,0.00020012);(61.987007,0.00438075);(62.111389,0.00010922);(62.168163,0.00009902);(62.414659,0.00014955);(62.845333,0.00011561);(63.225119,0.00014393);(64.6548,0.00008789);(65.001972,0.00684122);(66.498006,0.00011076);(66.590404,0.0001103);(66.666856,0.00012125);(67.454699,0.00015433);(68.357786,0.00011237);(68.857825,0.0001231);(68.98411,0.00009366);(70.027868,0.00012852);(71.012435,0.0011931);(71.286529,0.00019282);(72.389398,0.00010368);(73.028127,0.00072948);(74.869637,0.00013813);(74.950003,0.000091);(75.153556,0.00013933);(75.66258,0.0001209);(75.918331,0.00014906);(76.1083,0.00011492);(76.451405,0.00013283);(76.572859,0.00012349);(76.805431,0.00014055);(76.978091,0.00011928);(80.447817,0.00015354);(81.987431,0.00010212);(83.010127,0.00010432);(83.012538,0.00570798);(83.30724,0.00012193);(84.987147,0.00013465);(85.028006,0.00046029);(86.972895,0.00013946);(87.007393,0.00029985);(87.262647,0.00015098);(87.716491,0.00009973);(87.986995,0.00013349);(88.541377,0.00010048);(89.041549,0.00014565);(89.293916,0.00010505);(91.748136,0.00011877);(91.83268,0.00016336);(93.033336,0.02337818);(93.557151,0.00009256);(93.842604,0.00013971);(94.036505,0.00014932);(94.776132,0.00018681);(95.452306,0.00016193);(95.847317,0.00016179);(97.222038,0.00013227);(97.246445,0.00010381);(97.382894,0.00010053);(98.799555,0.00011649);(99.142719,0.00010801);(100.239134,0.0001399);(100.919421,0.00012649);(101.02312,0.00128359);(101.446054,0.0001371);(103.038173,0.00012566);(103.119254,0.00013963);(103.403027,0.00012512);(104.144711,0.00012935);(106.088924,0.00018483);(106.382128,0.00010507);(107.012631,0.02335566);(107.663042,0.00012384);(108.015813,0.00034192);(108.135747,0.0001827);(108.343663,0.00011369);(110.187353,0.00015741);(113.023061,0.00014885);(113.761544,0.00014867);(113.877629,0.00010979);(119.049057,0.07540748);(120.052456,0.00639892);(125.02325,0.03674014);(125.028429,0.00019066);(126.026582,0.00078416);(126.579429,0.0001457);(130.801487,0.00011265);(131.87814,0.00010477);(139.534255,0.00011845);(141.565571,0.00016762);(145.022027,0.00065817);(145.028438,0.04453904);(145.821508,0.00015384);(146.031796,0.00332062);(146.34461,0.00011227);(146.530986,0.00012968);(148.85504,0.0001358);(149.023299,0.00383476);(150.991949,0.00025327);(151.002648,0.81557353);(152.006015,0.06268956);(153.007169,0.00596161);(153.586227,0.00015484);(155.60977,0.00010712);(157.988007,0.00011965);(163.001984,0.00011658);(164.010609,0.00846938);(165.01835,0.01884867);(165.52822,0.00014731);(165.745734,0.00012045);(166.021789,0.00027377);(167.034153,0.00155549);(168.943968,0.0001218);(169.013325,0.00837971);(169.020725,0.0001865);(169.111443,0.00013949);(170.846313,0.00012339);(171.633262,0.00015949);(172.916262,0.00010997);(175.00277,0.02421073);(176.006187,0.00101683);(177.018486,0.05362576);(177.519758,0.0001346);(178.021831,0.00439634);(179.034121,0.00011604);(180.518307,0.00010027);(181.9646,0.00010265);(185.060876,0.00011388);(185.74068,0.00017557);(187.039325,0.00169378);(189.018569,0.00076276);(190.997372,0.00013488);(191.034209,0.00017951);(193.013594,0.0397725);(194.01678,0.00257965);(196.221266,0.00010828);(203.006474,0.00015434);(205.013705,0.016002);(206.017407,0.00011817);(207.029997,0.00013641);(207.401729,0.00012284);(208.547952,0.0001437);(209.044617,0.00065381);(211.024059,0.00057785);(212.922366,0.00010843);(213.843807,0.00097168);(213.855468,0.00578092);(213.861518,0.00563983);(213.874103,0.00504299);(213.880382,0.00403311);(215.230847,0.00011721);(217.01377,0.00806497);(219.029189,0.00062188);(224.968446,0.00013241);(225.185801,0.00011789);(226.484326,0.00017987);(227.070929,0.00825588);(233.901397,0.00018101);(235.024549,0.05162617);(236.027985,0.0067754);(237.029322,0.00018124);(242.21854,0.00013447);(248.182498,0.00020907);(253.035627,0.00159391);(253.050135,0.00110955);(255.04036,0.00010572);(258.214462,0.00019934);(260.882962,0.00015481);(263.20573,0.00015315);(267.967014,0.00011178);(268.037565,0.00065357);(269.045575,0.02392943);(270.052638,0.01043181);(270.823227,0.00015208);(271.061274,1.0);(272.064769,0.16478174);(273.067119,0.02194309);(274.069087,0.00035588);(277.035752,0.00102364);(279.051031,0.00116562);(279.702405,0.00014475);(284.358194,0.0001117);(285.076953,0.02034657);(286.080307,0.00249534);(290.719387,0.0001184);(293.043282,0.01254093);(294.047314,0.00030536);(295.045704,0.00769048);(295.061823,0.00936771);(296.047172,0.00013773);(296.064544,0.00037517);(297.062257,0.00156234);(298.329961,0.00011255);(306.340478,0.00019289);(309.059275,0.0001507);(313.072111,0.04341109);(313.092251,0.00105042);(314.07532,0.00737746);(320.904231,0.00013801);(325.071765,0.00211902);(333.811374,0.0001744);(339.051731,0.00046259);(339.072207,0.04062065);(340.075662,0.00678498);(355.082835,0.00040791);(357.082739,0.00497979);(359.198812,0.00009885);(364.268491,0.00013638);(373.093183,0.00336421);(375.094975,0.00015783);(376.495146,0.00011006);(381.082318,0.0001115);(389.193105,0.0001751);(393.144822,0.00011595);(412.240545,0.00010086);(415.103817,0.00366953);(416.107449,0.00013147);(417.814918,0.00013258);(420.859564,0.0001463);(424.768236,0.00009326);(433.135202,0.00041332);(440.395648,0.00013326);(441.103593,0.00207623);(452.422819,0.00017857);(456.149436,0.00009687);(459.113528,0.0668225);(460.116996,0.01441438);(461.120668,0.00131496);(470.556488,0.00012051);(481.340264,0.0001869);(489.824263,0.00013411);(490.334623,0.00019358);(496.911078,0.0001487);(513.212148,0.00013956);(525.486535,0.00013083);(555.144087,0.0001405);(579.172327,0.02909591);(580.175677,0.00913363);(581.176963,0.00057506) | | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (50.306881,0.00016999);(50.873878,0.00016404);(51.12363,0.00014473);(51.139265,0.00018059);(52.055865,0.00022665);(52.991436,0.00025968);(53.830402,0.00018118);(53.853347,0.00016171);(54.030526,0.00016797);(54.375492,0.00038848);(54.467827,0.00023864);(55.055058,0.00078532);(55.768985,0.00017216);(56.09558,0.00015168);(56.787051,0.00019068);(57.034284,0.03672957);(57.070678,0.00152194);(57.625187,0.00035507);(57.79042,0.00016433);(58.608395,0.00018368);(59.038033,0.00032293);(59.049994,0.00030271);(59.061152,0.02332873);(59.603269,0.00032771);(59.60621,0.0002952);(59.792006,0.00045258);(60.826979,0.00023725);(61.011383,0.00017038);(61.0291,0.00095223);(61.979187,0.00037784);(62.702423,0.00018859);(62.953505,0.00017005);(63.139647,0.00041677);(63.144926,0.0001677);(63.557613,0.00039339);(65.40063,0.00017907);(67.054934,0.00086949);(67.232274,0.0001739);(67.825735,0.0001604);(68.006326,0.000201);(68.340367,0.00024003);(69.034215,0.04283487);(69.070577,0.00018981);(71.049854,0.33964606);(71.086143,0.00072316);(71.282476,0.00017802);(71.304861,0.0003418);(71.636123,0.00018657);(72.053168,0.0132549);(73.029069,0.00804006);(73.047484,0.01983423);(73.188736,0.00016506);(73.210886,0.00015918);(73.838016,0.00026284);(73.926009,0.00035258);(74.047111,0.0003423);(74.096943,0.00029035);(75.026652,0.00019977);(75.044683,0.01796861);(75.440075,0.00017252);(75.807946,0.0001483);(77.391752,0.00015089);(79.021739,0.00117297);(81.03396,0.00023447);(81.070468,0.00110744);(81.979316,0.00023513);(82.268265,0.00032884);(82.969847,0.00024606);(83.049719,0.01290487);(83.086099,0.00063334);(85.029018,0.39523026);(85.101814,0.00056254);(85.199705,0.00017348);(86.029545,0.00030497);(86.032338,0.01777825);(86.346696,0.00015082);(87.036074,0.00016806);(87.044595,0.01001047);(87.596039,0.00014747);(89.060192,0.00589889);(89.257688,0.00015228);(89.897635,0.00020073);(90.91674,0.00029569);(91.057875,0.02487179);(91.659937,0.00032745);(92.88731,0.00017284);(92.939953,0.00020046);(94.631317,0.00034483);(94.77877,0.00038887);(94.889021,0.00033535);(95.086,0.00167365);(96.642898,0.00017321);(96.902065,0.00023582);(97.028944,0.00790245);(97.101261,0.0002135);(97.158787,0.0001767);(97.472065,0.00015327);(97.692974,0.00016502);(99.0445,0.00553042);(99.495687,0.00018077);(99.6609,0.00023995);(100.424971,0.00037367);(100.46055,0.00019969);(100.733177,0.00040647);(100.75966,0.00017657);(101.060167,0.00049751);(102.225248,0.0002453);(103.039388,0.00257707);(104.088678,0.00017497);(104.416991,0.00030958);(104.703586,0.00031424);(107.049554,0.00798321);(107.085767,0.00042405);(109.028683,0.00061361);(110.169272,0.00033775);(110.737762,0.00018752);(110.866559,0.00022239);(111.044335,0.01472713);(111.308466,0.00018967);(113.293456,0.00020398);(114.018959,0.0004184);(114.647402,0.00017244);(115.149936,0.0002475);(117.05471,0.0002089);(118.864696,0.00019012);(120.819588,0.00017623);(121.065051,0.02340898);(121.318657,0.00015432);(121.576764,0.00019622);(121.586101,0.00015017);(121.746922,0.00015336);(123.044522,0.00126114);(127.039129,0.00745473);(128.784539,0.00017841);(129.054773,0.07575038);(129.627873,0.00017272);(129.678074,0.00018659);(130.058154,0.00277334);(130.955067,0.00041622);(131.93949,0.00032255);(133.086037,0.00124223);(135.044093,0.00324842);(135.080374,0.00019783);(136.38618,0.00031298);(137.895105,0.00038695);(138.539817,0.00040592);(141.65585,0.00018916);(142.169722,0.00015498);(144.112477,0.00016994);(145.049596,0.00074207);(147.044054,0.11540319);(147.065294,0.00614065);(148.047402,0.01140395);(149.04469,0.00041836);(151.038741,0.00018505);(151.951219,0.00025406);(153.01826,0.52254305);(154.021579,0.0403444);(155.022397,0.00047785);(157.710581,0.00016155);(158.661234,0.0003258);(160.074107,0.00020245);(161.059688,0.00171608);(165.018407,0.0176043);(166.021341,0.00032832);(166.083845,0.00219629);(167.055416,0.00519668);(168.016662,0.00018651);(168.058859,0.00016243);(169.047013,0.00111228);(171.028798,0.16654028);(171.036998,0.00252791);(172.032084,0.01193028);(173.399109,0.00019636);(174.586965,0.00031134);(175.651009,0.0002002);(175.827186,0.00036913);(177.018325,0.00698402);(177.054561,0.00155698);(179.033947,0.02531521);(180.337878,0.00021924);(183.028734,0.00455841);(183.612596,0.00018738);(184.539274,0.00019396);(184.962515,0.00025128);(185.042477,0.0084598);(188.020055,0.00020795);(189.018271,0.00075705);(189.054523,0.00039693);(189.616851,0.00036178);(191.033917,0.00371883);(195.028835,0.20446228);(195.038849,0.00414896);(196.032066,0.0193851);(196.542541,0.00017361);(196.950846,0.00089754);(199.132088,0.00017849);(200.321525,0.00016953);(203.033883,0.00344116);(203.412321,0.00019119);(203.538569,0.00017703);(207.028919,0.00654777);(209.320048,0.00017409);(210.519703,0.00029982);(213.039296,0.00187222);(213.782372,0.00273933);(213.804288,0.01131064);(213.818437,0.00988005);(213.831298,0.00389978);(215.126683,0.00019356);(216.238573,0.00039407);(219.028801,0.11364184);(219.960857,0.00019096);(220.032217,0.01312649);(221.044586,0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| | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.070073,0.00020163);(50.433454,0.00020453);(50.63848,0.00031141);(50.997445,0.0003478);(51.070433,0.00023216);(51.235153,0.0002701);(51.476635,0.00014223);(52.729203,0.00016358);(53.135792,0.00015152);(53.344519,0.00025773);(53.392154,0.00018047);(53.819396,0.00023602);(54.125144,0.00027857);(54.992045,0.00024058);(55.412779,0.00027456);(55.648123,0.00022233);(55.740134,0.00024463);(55.969392,0.00032895);(56.25253,0.00014999);(56.825909,0.00021661);(57.033128,0.00017697);(57.413938,0.00025856);(57.561325,0.0003019);(58.050407,0.00041354);(58.345852,0.00026829);(58.52329,0.00021608);(59.01247,0.00639133);(59.053287,0.00019798);(59.110331,0.00032749);(59.605128,0.00022228);(60.030327,0.00022217);(60.103262,0.00023788);(60.229537,0.00023436);(61.962815,0.00026088);(61.986989,0.00387375);(62.039725,0.00030509);(62.955247,0.00025294);(63.022645,0.00321569);(63.722333,0.00015578);(64.430343,0.00033885);(65.001963,0.03966017);(65.227783,0.00030559);(65.383959,0.0002631);(66.005277,0.00040171);(66.643298,0.00023688);(66.685887,0.00023217);(67.559308,0.00032704);(67.99067,0.00014328);(68.66447,0.00028173);(69.880961,0.00027948);(70.789681,0.00016901);(71.012522,0.00026533);(73.027959,0.00018983);(73.253664,0.00037224);(74.13495,0.00036227);(74.21538,0.00027985);(75.501883,0.00025501);(76.709041,0.00017099);(76.715488,0.00024489);(76.935001,0.00025799);(77.633847,0.00015744);(78.309691,0.00034523);(79.585519,0.00027611);(80.293868,0.00025962);(81.03342,0.00019463);(81.488312,0.00022854);(82.16309,0.00027186);(83.012495,0.02910616);(83.195914,0.00029778);(84.015975,0.00035601);(84.732262,0.0002543);(85.467026,0.0003309);(86.624192,0.00022922);(86.839724,0.00015778);(87.362138,0.00022941);(89.530439,0.00041243);(90.425432,0.00015564);(93.033316,0.04316053);(93.038397,0.00033034);(94.036637,0.00065395);(95.607976,0.00029373);(97.65655,0.00022985);(97.931699,0.00023188);(99.106056,0.00015487);(101.023157,0.00018034);(101.533377,0.00031037);(102.693604,0.00016556);(103.136774,0.00032686);(104.806822,0.00017398);(105.099639,0.00031864);(105.531424,0.0003469);(105.610598,0.00031619);(107.01264,0.10493392);(108.015974,0.00318634);(109.142842,0.00028035);(109.673186,0.00021352);(109.733762,0.00039058);(110.185719,0.00024892);(111.103491,0.00028211);(113.721043,0.0002875);(114.885638,0.00034049);(116.736882,0.00033213);(117.033376,0.00098842);(119.049065,0.23099529);(120.052395,0.0178545);(121.028309,0.0007001);(123.292588,0.00032697);(125.023268,0.04019328);(127.088438,0.0003485);(127.626878,0.00024306);(131.050707,0.00016052);(131.403127,0.00034121);(132.639242,0.0003261);(133.028392,0.00018433);(136.015416,0.00203519);(136.252022,0.00037103);(137.821912,0.00038346);(137.91164,0.00027376);(142.815212,0.00035044);(143.049204,0.00418048);(144.225401,0.00035402);(145.028463,0.03107635);(146.031427,0.00065293);(146.182351,0.00028962);(146.430996,0.00016949);(149.023387,0.00185104);(151.002663,1.0);(151.51613,0.00034387);(152.005993,0.07547737);(153.007032,0.00404229);(157.733374,0.00025087);(161.023992,0.00046785);(161.059695,0.00247078);(161.711475,0.00039113);(162.749811,0.00027134);(163.00327,0.00022432);(163.40165,0.00037492);(163.517373,0.0003881);(164.010603,0.02637577);(165.01849,0.03135191);(165.092209,0.00025378);(166.348885,0.0002988);(167.121131,0.00033445);(167.445004,0.00029013);(168.331053,0.00031112);(169.013341,0.01084762);(169.516263,0.00035641);(171.343073,0.00037421);(171.969822,0.00016133);(173.627142,0.00029361);(173.664888,0.00026916);(173.845655,0.00032162);(175.002737,0.01836864);(177.018491,0.06158594);(178.021907,0.00295975);(178.53848,0.00027188);(178.65293,0.00029727);(180.251567,0.00027398);(185.060093,0.00488444);(187.039398,0.00583069);(188.6877,0.00024349);(189.0181,0.00025923);(189.288447,0.00030882);(189.944836,0.00032698);(190.997015,0.00018181);(193.013634,0.01850481);(194.015971,0.00023107);(194.103402,0.00032178);(196.00047,0.00053195);(197.177045,0.00032386);(199.076415,0.00019867);(201.05492,0.0003237);(203.071149,0.00170565);(205.013694,0.00331169);(208.772895,0.00026877);(209.228628,0.00029843);(213.848677,0.00120821);(213.858352,0.00952759);(213.868101,0.01498078);(213.884864,0.00691229);(217.013337,0.00030905);(220.179976,0.00041044);(220.661828,0.00024463);(227.070868,0.03023122);(228.074305,0.00144105);(229.050289,0.00397975);(232.785974,0.00032727);(235.024829,0.00128978);(241.050279,0.0004318);(241.261469,0.00030152);(242.057267,0.00052249);(248.740826,0.00039707);(249.094211,0.0002944);(260.601044,0.00026821);(263.865075,0.00033931);(268.037786,0.00134896);(269.045853,0.02190796);(270.052494,0.00474007);(271.061292,0.43805725);(272.064818,0.07318632);(273.067369,0.00551549);(285.041723,0.00016799);(285.076834,0.01232646);(286.192662,0.00035777);(290.370448,0.00029686);(293.043176,0.0037815);(295.045753,0.00128893);(295.061833,0.00059602);(299.676212,0.00037739);(299.841997,0.00033694);(304.628387,0.00033238);(305.194648,0.00017685);(307.755207,0.00027185);(313.071579,0.00450529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| | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.454471,0.00043892);(50.696407,0.00068744);(51.818232,0.00059535);(52.114278,0.00061426);(52.1524,0.00070715);(53.09172,0.00030371);(54.432726,0.00033291);(54.441608,0.00070184);(55.587953,0.00051098);(56.31708,0.00058708);(56.924145,0.0006046);(57.03331,0.00326639);(58.077804,0.0004989);(58.972007,0.00089454);(59.012507,0.00795215);(59.60856,0.00056492);(59.76105,0.00059828);(60.679788,0.00028757);(60.996013,0.00059978);(61.856752,0.00082625);(61.986989,0.00467453);(62.029691,0.00089689);(63.022684,0.08985721);(63.388201,0.00036676);(63.809866,0.00052262);(64.025946,0.00041821);(65.001971,0.50214018);(66.005326,0.01809252);(66.683072,0.00031294);(66.792184,0.00052545);(67.143286,0.00057831);(67.238997,0.00036811);(67.781285,0.0004996);(67.917988,0.00062863);(68.534382,0.00053562);(68.996877,0.00564984);(69.033337,0.00031321);(69.700603,0.00072683);(70.210152,0.00059358);(70.822133,0.00057774);(71.221209,0.00037953);(71.47388,0.00073898);(74.989397,0.00049904);(75.63615,0.00049212);(76.291079,0.00054064);(77.453484,0.00062063);(78.308603,0.00082145);(78.548523,0.00062697);(78.611858,0.00052176);(79.128307,0.00061269);(80.025399,0.00441802);(81.033258,0.00749028);(81.724255,0.0003276);(82.095062,0.00047425);(82.717269,0.00053898);(82.727381,0.00075548);(83.012542,0.24059025);(83.015184,0.00252531);(83.443731,0.00070437);(84.015894,0.00470841);(84.115839,0.00089326);(84.137917,0.00066504);(86.624904,0.0005724);(89.984713,0.00048698);(90.264765,0.00036301);(91.757482,0.00051634);(92.25749,0.00056457);(92.260642,0.00070177);(93.033305,0.10324563);(93.531045,0.00037203);(94.004683,0.00060226);(94.036542,0.00161168);(94.347072,0.00052356);(97.028195,0.00044421);(97.071745,0.00061815);(99.485919,0.00048103);(100.438235,0.00060248);(102.285227,0.00044533);(103.857763,0.0005642);(105.439862,0.00051302);(106.035316,0.00085569);(107.012641,0.55731799);(107.048557,0.00093262);(108.015963,0.03433485);(108.020429,0.04938624);(108.99203,0.00037148);(109.023726,0.00056143);(109.028226,0.00348242);(112.834582,0.00072231);(113.780886,0.00051515);(116.617925,0.00048184);(117.033421,0.0306905);(117.836388,0.00071705);(119.02513,0.00058019);(119.049067,1.0);(119.072693,0.00081935);(120.052461,0.08518488);(121.028244,0.00526599);(123.007682,0.00043094);(125.023293,0.04239852);(125.189777,0.00059767);(126.640134,0.00055174);(127.317723,0.00059999);(127.355693,0.00055557);(129.284267,0.00062967);(131.012742,0.00520586);(132.482771,0.00060021);(133.028444,0.00803023);(133.637299,0.00071204);(135.02595,0.00053973);(135.882977,0.00050083);(136.015499,0.03439889);(136.690834,0.00085662);(137.023373,0.0085392);(137.746442,0.00065736);(139.977162,0.00056098);(141.725152,0.00057156);(142.185447,0.00055359);(143.049178,0.03361854);(143.533188,0.00100003);(145.02845,0.05724165);(149.729073,0.00055562);(151.002671,0.7680508);(152.005976,0.05819893);(153.008347,0.00053774);(156.05683,0.00097144);(157.064858,0.00476912);(159.044332,0.00139752);(159.883406,0.0004945);(160.39471,0.00075976);(161.059841,0.04366464);(161.525438,0.00061531);(162.063349,0.00072318);(164.01041,0.02500423);(164.39102,0.00076454);(165.018502,0.04754796);(166.021011,0.00062262);(167.94163,0.00062908);(168.867556,0.00074339);(169.01327,0.00481236);(169.576919,0.00051323);(174.316772,0.00049544);(175.002822,0.003186);(176.396236,0.00077951);(177.018485,0.0610872);(177.877481,0.00078401);(178.02122,0.00064798);(178.061538,0.00052566);(183.044943,0.00060905);(183.079457,0.0005171);(184.052722,0.00035896);(185.060024,0.05803905);(186.063003,0.00211731);(187.039261,0.08988743);(188.042892,0.00301527);(197.060097,0.00070701);(198.06868,0.00046519);(199.076032,0.0027652);(201.055451,0.00068099);(201.465524,0.00067866);(201.70324,0.00070579);(202.803595,0.00045585);(203.070639,0.00086195);(209.584551,0.00063072);(209.61305,0.0005437);(215.501176,0.00062877);(221.374477,0.00118914);(221.389699,0.00331541);(221.400956,0.00214633);(221.417307,0.00200267);(221.429826,0.00266387);(221.445871,0.0009211);(223.710604,0.00049466);(224.886668,0.00053284);(227.070951,0.02675786);(229.050314,0.01115882);(230.034146,0.00033929);(233.892151,0.00060912);(241.049416,0.00052454);(243.288209,0.00054526);(246.928943,0.00047631);(248.633757,0.00037987);(251.971383,0.00049481);(256.009216,0.0005155);(258.41665,0.00049713);(259.80943,0.00033407);(263.183276,0.00057479);(268.037291,0.00288301);(269.045391,0.01714571);(271.061116,0.02549279);(273.783353,0.00035606);(274.747835,0.00058781);(274.827596,0.00069512);(276.297403,0.00061601);(277.843168,0.00053155);(280.790555,0.0005176);(294.407629,0.00073074);(299.999543,0.00058917);(304.585012,0.00070509);(322.851212,0.00061254);(323.928206,0.00050973);(329.110761,0.00056137);(349.115154,0.00081136);(349.139182,0.001073);(359.487538,0.00053022);(360.580792,0.00052149);(364.666777,0.00084762);(397.131487,0.00041691);(409.615856,0.00084475);(414.368935,0.00058034);(430.858653,0.00079246);(447.436558,0.00052369);(455.089415,0.00049817);(485.641948,0.0005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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | 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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 | (27.0234751,0.6114779466);(73.0289544,0.5019881683);(87.04460446,0.5424352041);(95.04968984,0.5378204934);(119.0496898,1.329461327);(121.0653399,1.652634446);(123.08099,0.4000878517);(137.0602545,0.8973188564);(147.0657338,3.40947367);(153.0187836,0.7711723384);(155.0344337,0.4035076994);(161.0449984,0.4999577134);(163.0606485,1.09039507);(165.0762985,2.280725891);(255.0657338,9.6570961);(257.0813839,0.9213662979);(271.0606485,0.4474641589);(273.0762985,24.45197171);(279.1079926,0.4631027527);(309.1185573,0.9872753555);(315.0716071,0.6937816169);(399.1079926,0.6813924935);(399.1079926,0.6424606806);(401.1236426,0.4963397843);(417.1185573,11.88086109);(419.1342073,1.090582401);(433.1346012,0.804728791);(435.1291219,11.6724579);(461.1295159,1.556053583);(563.1764661,9.923429367);(581.1870307,8.701179237) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (95.04968984,0.6774572305);(107.0496898,2.149669787);(119.0496898,1.058178161);(121.0289544,0.6435308564);(121.0653399,1.814633179);(123.0446045,0.7642457967);(129.0551691,1.03857605);(137.023869,4.126462888);(147.0446045,0.8178126788);(147.0657338,3.492705685);(153.0187836,2.33369199);(163.0606485,2.440845555);(165.0762985,1.271907237);(181.0712131,0.4893671061);(243.0657338,0.9057786608);(255.0657338,16.90579728);(257.0813839,0.5021944178);(271.0606485,1.213290231);(273.0762985,33.63961197);(297.0610424,0.4620444472);(299.0766924,1.58558153);(309.1185573,0.5290469374);(313.0923425,0.5914179574);(315.0716071,1.303084998);(399.1079926,0.5847823299);(417.1185573,9.546193759);(419.1342073,0.4475523412);(435.1291219,5.848373532);(441.1033011,0.4706499917);(563.1764661,1.827182273);(581.1870307,0.5183331487) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,1.327121284);(73.0289544,1.168998394);(87.04460446,1.397698234);(95.04968984,1.190037258);(103.0395191,1.11008539);(119.0496898,5.033455432);(121.0289544,2.6872134);(121.0653399,5.073189194);(123.08099,1.077460941);(131.0708192,1.145730469);(137.023869,2.468505771);(137.0602545,2.796126268);(145.0289544,1.192267125);(147.0657338,3.292696338);(153.0187836,4.988267393);(155.0344337,2.429403985);(161.0449984,1.879851781);(163.0395191,1.671653399);(163.0606485,7.745821877);(165.0762985,1.130733567);(243.0657338,1.396455037);(255.0657338,9.34999675);(257.0813839,1.273400172);(271.0606485,1.258795417);(271.0817778,3.66298908);(273.0762985,16.94118343);(287.0766924,2.91370803);(313.0923425,2.799261317);(315.0716071,2.429213465);(417.1185573,4.498875921);(563.1764661,2.66980388) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (56.99765427,2.699004035);(57.03403978,0.9267590756);(59.01330434,0.6828788527);(73.0289544,2.115427539);(87.00821896,2.342649579);(87.04460446,1.603466931);(89.02386902,0.8147243573);(93.03403978,1.244110347);(103.0395191,1.038590771);(117.0551691,1.390585881);(133.0500838,0.7885375355);(145.0500838,2.625644703);(163.0606485,7.616812661);(253.0500838,3.449430872);(271.0606485,16.90887417);(279.1079926,1.481363514);(295.0606485,1.521016946);(295.1029072,1.109840144);(311.0555631,2.226745049);(325.0712131,0.8259597356);(325.1134719,0.6914974716);(341.0661278,1.867044438);(415.1029072,9.188939494);(431.1189512,1.308973678);(433.1134719,7.22718973);(475.1240366,2.012190644);(477.1396866,1.105591969);(491.1189512,1.072320056);(505.1346012,0.6903397302);(561.160816,5.696631399);(579.1713807,15.72685869) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (43.01838972,1.02805701);(59.01330434,1.814947643);(73.0289544,2.182565438);(75.00821896,0.7517787885);(87.00821896,1.072915437);(89.02386902,3.416419754);(93.03403978,1.121242711);(103.0395191,0.6857577459);(117.0551691,0.8664381178);(133.0500838,2.282980595);(145.0500838,8.997826455);(161.0449984,2.077961697);(163.0606485,10.87897258);(177.0187836,0.7025148157);(229.0500838,1.063027211);(253.0500838,4.64004698);(269.0661278,0.7966577764);(271.0606485,27.603125);(285.0610424,0.980044138);(297.0762985,1.446856441);(313.0712131,2.342003994);(325.1134719,0.7205958632);(343.0817778,1.272490747);(403.1029072,0.8670037382);(415.1029072,6.815323049);(417.1185573,0.6940432894);(433.1134719,6.52955926);(505.1346012,0.6835299019);(547.1451659,0.664791014);(561.160816,3.626790721);(579.1713807,1.373732094) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,2.055577093);(43.01838972,5.561839204);(45.03403978,1.07137987);(55.01838972,1.674206181);(56.99765427,1.679165983);(57.03403978,3.247967947);(59.01330434,3.265612579);(71.01330434,1.319431774);(73.0289544,6.048962883);(75.04460446,0.9912426932);(85.0289544,1.126367564);(87.04460446,1.014269435);(89.02386902,1.222807153);(93.03403978,3.157532323);(103.0395191,2.301536228);(117.0340398,1.191392069);(119.0496898,3.812779149);(133.0500838,1.271988155);(135.0446045,1.132919209);(145.0500838,3.989400731);(147.0293483,2.335713286);(161.0449984,2.21272446);(163.0606485,7.184212998);(177.0187836,1.002465418);(201.0551691,2.821752093);(229.0500838,3.504006089);(253.0500838,4.438061172);(269.0449984,1.414045725);(271.0606485,25.41950854);(311.0555631,1.105619087);(433.1134719,1.425512915) |
| 
