| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (23.99945142,0.8699547828);(25.00727602,4.389333954);(27.02292522,2.774071286);(38.01510062,0.8404224934);(39.02292522,3.13771293);(41.03857442,2.271101328);(43.97152142,3.980510113);(44.97934602,4.395236355);(45.98717062,0.8754382691);(46.99499522,0.7630735913);(49.00727602,3.209315959);(50.01510062,0.8510686599);(51.02292522,2.467443648);(63.02292522,4.43061508);(65.03857442,3.7862028);(71.99024382,1.67009474);(75.02292522,1.621444881);(78.04639902,2.916895623);(79.05422362,1.548765791);(90.04639902,6.126537832);(91.05422362,29.38610584);(92.05761766,2.333479377);(94.98241922,1.018124511);(105.0572968,0.8904353409);(120.9980684,1.283757872);(122.005893,0.9158454844);(123.0137176,0.8906933577);(124.0215422,0.9448434086);(134.005893,1.58578973);(148.0215422,1.997100494);(149.0293668,5.828584474) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.6879711597);(25.00727602,3.614278867);(27.02292522,2.289764157);(39.02292522,2.545494942);(41.03857442,1.867166632);(43.97152142,3.147837351);(44.97934602,3.153758355);(45.98717062,0.6923075695);(49.00727602,2.745579917);(50.01510062,0.6730357768);(51.02292522,2.015122085);(63.02292522,3.598439841);(65.03857442,3.108004069);(71.99024382,1.594005221);(75.02292522,1.34293517);(78.04639902,2.306717664);(79.05422362,1.224783424);(90.04639902,6.459587653);(91.05422362,24.49779292);(92.05761766,1.945310307);(105.0572968,0.7041674421);(120.9980684,1.014393008);(122.005893,0.7242621025);(123.0137176,0.704371485);(124.0215422,0.7471940248);(134.005893,1.254062419);(148.0215422,1.279136518);(149.0293668,4.566454651) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.6879711597);(25.00727602,3.614278867);(27.02292522,2.289764157);(39.02292522,2.545494942);(41.03857442,1.867166632);(43.97152142,3.147837351);(44.97934602,3.153758355);(45.98717062,0.6923075695);(49.00727602,2.745579917);(50.01510062,0.6730357768);(51.02292522,2.015122085);(63.02292522,3.598439841);(65.03857442,3.108004069);(71.99024382,1.594005221);(75.02292522,1.34293517);(78.04639902,2.306717664);(79.05422362,1.224783424);(90.04639902,6.459587653);(91.05422362,24.49779292);(92.05761766,1.945310307);(105.0572968,0.7041674421);(120.9980684,1.014393008);(122.005893,0.7242621025);(123.0137176,0.704371485);(124.0215422,0.7471940248);(134.005893,1.254062419);(148.0215422,1.279136518);(149.0293668,4.566454651) | | LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.435539,0.00033973);(50.701972,0.00034686);(50.852345,0.00035064);(51.820297,0.00036473);(51.99161,0.000395);(53.573682,0.00031517);(54.549159,0.00038664);(57.44069,0.00034767);(57.924408,0.00032252);(57.974284,0.13062182);(58.232972,0.00038521);(59.970124,0.00034976);(60.171924,0.00034138);(60.830255,0.0003146);(61.841426,0.00032195);(61.986939,0.02034445);(63.041659,0.0003746);(63.535799,0.00040542);(65.032426,0.00032023);(65.6868,0.00031274);(67.510267,0.00031451);(69.202595,0.00030773);(69.783167,0.00034393);(70.464183,0.00034436);(70.659266,0.00031248);(70.955567,0.00037411);(71.048772,0.00172619);(72.744577,0.00031646);(74.230481,0.00037765);(74.57399,0.00035101);(74.989367,0.01506477);(75.761542,0.00035669);(79.955962,0.00484809);(80.319734,0.0003532);(80.963812,0.01461447);(81.540437,0.00033087);(82.95964,0.00405574);(83.011569,0.00033649);(83.341246,0.00038878);(83.544477,0.00030492);(84.538087,0.00035694);(84.569718,0.00035187);(85.028078,0.00189352);(85.295049,0.00037037);(86.298437,0.0003287);(87.007376,0.00576519);(89.023063,0.02723414);(89.547526,0.00032231);(90.566193,0.00034986);(92.032312,0.00034394);(92.999992,0.01821051);(93.533624,0.00034707);(93.544404,0.00033444);(94.43697,0.00043382);(96.666642,0.00032855);(98.922132,0.0003488);(100.383085,0.00035611);(102.033591,0.01911024);(103.00401,0.00034291);(103.346603,0.00030668);(103.355103,0.00031914);(104.804143,0.00031155);(105.927802,0.00057103);(106.164759,0.00038386);(108.044214,0.00366938);(108.183576,0.00034066);(109.284414,0.00038493);(110.575732,0.00039747);(111.544106,0.00034655);(116.04931,0.0894765);(117.052809,0.00034603);(117.162653,0.00040509);(117.257689,0.00033961);(118.373445,0.00039961);(121.028181,0.00194076);(122.385223,0.00034113);(124.049992,0.00033123);(134.409364,0.00040361);(136.239905,0.00041395);(136.854446,0.00036595);(137.150367,0.00037613);(139.512645,0.00040822);(140.512917,0.00029702);(142.190899,0.00034844);(143.431594,0.00039186);(146.023537,0.01168982);(146.862221,0.00205881);(146.897106,0.00111802);(147.013691,0.07671309);(147.02816,0.00141845);(147.065189,0.00594709);(148.021527,1.0);(148.069581,0.00034131);(148.899144,0.00041401);(148.951381,0.03315599);(148.972253,0.00042004);(149.008433,0.59071958);(149.024821,0.0911511);(149.043328,0.000515);(150.001733,0.00057373);(150.007404,0.02301968);(150.017591,0.02357783);(150.029946,0.00029504);(150.037079,0.02062322);(150.375912,0.00032523);(150.466104,0.00035085);(150.987826,0.00294396);(151.673002,0.00035286) | | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (50.107479,0.00036042);(51.036266,0.00031373);(51.62927,0.00031301);(51.760917,0.00032161);(52.357725,0.00031529);(52.398844,0.00035112);(52.40183,0.00033014);(52.453215,0.00030875);(53.001292,0.00030337);(53.065953,0.00032498);(54.134509,0.0003568);(54.221197,0.00030022);(54.897877,0.00037996);(55.017712,0.00031869);(55.166504,0.00031607);(55.189896,0.00035027);(55.588059,0.00030404);(55.934693,0.02542398);(56.412111,0.00035278);(56.706998,0.00035195);(56.849955,0.00030988);(56.942521,0.00491074);(56.965055,0.00363087);(56.969768,0.00030773);(57.554229,0.00036357);(57.935074,0.00594949);(58.254692,0.00032621);(59.184898,0.00033025);(59.23572,0.00035549);(59.520066,0.00029477);(59.599059,0.00033606);(59.930489,0.0040259);(60.260587,0.00037698);(60.329845,0.00038819);(61.01087,1.0);(61.641771,0.00037428);(61.928019,0.0045281);(62.010227,0.00176499);(62.014211,0.01452642);(62.018688,0.13697344);(62.044104,0.00034914);(62.138742,0.00038939);(62.942006,0.00032474);(62.99011,0.20349157);(63.006646,0.02325197);(63.022014,0.00248566);(63.026521,0.01227153);(63.741477,0.00035541);(63.989443,0.00034155);(63.993497,0.00130717);(63.997898,0.04234592);(64.014462,0.05019586);(64.405414,0.00033693);(64.985888,0.03716914);(65.594409,0.00031869);(66.119865,0.00035716);(66.301491,0.00030005);(66.450669,0.00034683);(66.753681,0.00033872);(67.05434,0.00077627);(67.632743,0.00040484);(67.793139,0.00032564);(68.503499,0.00035493);(69.070203,0.0003665);(69.912847,0.00034769);(70.065209,0.03061593);(70.282412,0.00036109);(70.674986,0.00034624);(70.941962,0.00102971);(70.957941,0.13184369);(70.980459,0.00050252);(71.361175,0.00038253);(71.676415,0.00030516);(71.929372,0.02165307);(71.961237,0.00043751);(72.038155,0.00039422);(72.354309,0.00033619);(72.464947,0.00037918);(72.631679,0.0003238);(72.935064,0.00043412);(72.937182,0.09273851);(73.046843,0.00332656);(73.313525,0.00040139);(73.792293,0.00037622);(73.945247,0.00088304);(73.956141,0.00045095);(75.220843,0.00032776);(75.437464,0.00033521);(75.735586,0.00030376);(75.928663,0.0006145);(76.05505,0.00030763);(77.005595,0.00140523);(78.013446,0.29188223);(79.012815,0.00146437);(79.016897,0.00677569);(79.021241,0.63583448);(79.054258,0.00809011);(80.009213,0.06427274);(80.017397,0.00037946);(80.020567,0.00451132);(80.024545,0.01473495);(80.432641,0.00031116);(81.017023,0.05918316);(81.069906,0.00073784);(84.044412,0.00140624);(84.080961,0.0003861);(85.214127,0.00029728);(87.078177,0.00037014);(87.195985,0.00031821);(87.525599,0.0003168);(87.906496,0.01389063);(88.075721,0.04028658);(88.914438,0.00316776);(88.952457,0.00155917);(88.968428,0.07696256);(88.991117,0.00039216);(89.05965,0.00187269);(89.200957,0.00032906);(89.328333,0.00038864);(89.528685,0.00035231);(89.939853,0.00249879);(90.947717,0.11679992);(91.054281,0.22727119);(91.057333,0.02208627);(91.690574,0.00030445);(91.966025,0.00031918);(92.057512,0.0183613);(92.323634,0.00032039);(93.009802,0.00039212);(93.069913,0.01964205);(93.138978,0.00038622);(94.065208,0.00206128);(94.096569,0.00034785);(96.127577,0.00031342);(97.264985,0.00034019);(97.863262,0.00031437);(97.87831,0.00032892);(97.918,0.00037354);(97.94847,0.00034119);(98.791771,0.00033929);(98.828826,0.0003555);(100.178124,0.00033894);(101.1733,0.00031841);(101.961365,0.00036991);(102.929949,0.01713938);(102.947676,0.00215389);(102.984133,0.00046334);(104.963381,0.01303481);(105.033535,0.00206981);(105.069967,0.00318585);(105.777393,0.00039865);(105.917008,0.03771501);(105.934875,0.00053347);(106.086278,0.00268357);(106.924838,0.00204336);(106.979029,0.00721449);(107.020691,0.00032545);(107.04907,0.00032832);(107.072997,0.00113018);(107.085446,0.00932338);(107.465951,0.00038407);(107.950357,0.00248429);(108.080706,0.01783153);(108.954607,0.00033073);(108.958282,0.03207916);(109.101141,0.0003667);(109.97781,0.00192414);(110.579053,0.00036395);(111.975759,0.00046005);(113.988127,0.00043752);(114.091376,0.01737794);(114.386439,0.00034962);(114.986284,0.00080351);(116.909222,0.00334724);(116.983524,0.0007396);(117.478425,0.00036156);(117.483217,0.00199483);(117.916992,0.0126587);(117.982366,0.00685583);(118.92492,0.00491511);(118.945254,0.0067005);(118.983271,0.04200014);(119.274901,0.00039136);(119.475762,0.00034231);(119.484712,0.00061432);(119.981598,0.02506955);(120.003387,0.00074897);(120.340103,0.00041862);(120.476822,0.00691155);(120.48192,0.00204926);(120.522573,0.00033733);(120.935794,0.0021936);(120.940523,0.21303386);(120.981107,0.01241883);(121.028238,0.00040697);(121.475208,0.00361698);(121.854285,0.00038325);(121.871382,0.00033453);(122.09641,0.00044776);(122.400371,0.00038008);(122.47451,0.00105985);(122.897947,0.00039005);(122.973919,0.00171834);(123.927714,0.01358481);(123.94512,0.00043019);(124.82507,0.00035121);(124.935752,0.00311206);(125.960994,0.00368643);(125.989499,0.01029376);(126.488561,0.01478263);(126.933661,0.00079394);(126.987684,0.06504394);(127.486904,0.00450714);(127.988466,0.10332653);(128.48986,0.0014207);(128.519256,0.00037521);(128.644738,0.00034096);(128.986817,0.05022256);(129.487511,0.00416355);(129.986228,0.02682955);(130.633777,0.00037052);(130.999464,0.00037073);(132.0967,0.000714);(132.101918,0.1132366);(132.940633,0.00359976);(133.100927,0.00099657);(133.105533,0.00439683);(133.932261,0.00181401);(133.948315,0.01937198);(134.919727,0.01254064);(134.956096,0.00983283);(134.978669,0.00073949);(134.996171,0.00738916);(135.494439,0.00041756);(135.92762,0.11317936);(135.933259,0.0004556);(135.993862,0.00691686);(136.285685,0.00036583);(136.935525,0.00150637);(136.955983,0.00323452);(136.993755,0.00345179);(137.409132,0.00035483);(137.417659,0.0003531);(137.992254,0.00051345);(138.915599,0.00495741);(138.951065,0.19426174);(139.923283,0.00190775);(139.951335,0.00076343);(140.912958,0.0124898);(140.984289,0.00042843);(141.206493,0.00037507);(141.472959,0.00135412);(141.920833,0.00727011);(141.942665,0.02780758);(142.471237,0.00039749);(142.913098,0.00509026);(143.921154,0.00326024);(143.939421,0.01523025);(145.938321,0.00626644);(147.957406,0.00037246);(148.097191,0.00049123);(148.112161,0.00170465);(148.925603,0.00280873);(148.955876,0.01862834);(148.971841,0.1128405);(148.984745,0.00040472);(149.023412,0.01833593);(149.070716,0.00037871);(149.096028,0.00039157);(149.107367,0.00462397);(149.558718,0.000382);(149.976147,0.00043492);(150.091475,0.00808496);(150.10261,0.06243554);(150.112507,0.23778808);(150.127606,0.07845862);(150.478345,0.00211964);(150.951124,0.34248109);(150.966718,0.00102034);(151.060811,0.02638424);(151.075449,0.009322);(151.08651,0.00040181);(151.105736,0.00340966);(151.116033,0.01524763);(151.122293,0.00082783);(151.131018,0.01060378);(151.476988,0.00040701);(151.942846,0.00124004);(151.952063,0.001146);(151.958948,0.01867188);(152.056586,0.00042892);(152.070524,0.00086821);(152.107194,0.00301647);(152.143602,0.00110295);(152.149139,0.00034543);(152.930384,0.00578486);(152.941251,0.00095351);(152.966818,0.01942664);(152.98926,0.00147752);(153.938248,0.09533828);(153.959285,0.02312016);(153.966039,0.00035742);(154.098312,0.00035422);(154.937358,0.00152039);(154.946873,0.00506082);(154.964502,0.00046602) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | 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| | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.312248,0.00095153);(50.44132,0.00082816);(50.918943,0.00087034);(51.459979,0.00097734);(51.755556,0.0009158);(51.781362,0.00083049);(51.857045,0.00078185);(52.062951,0.0009112);(52.608565,0.00092303);(53.009099,0.00081428);(53.14201,0.00089235);(53.163642,0.00085829);(53.314051,0.00093853);(53.93933,0.0010453);(54.889547,0.00089209);(55.250683,0.00085169);(55.3866,0.00094904);(55.398268,0.00078347);(55.933289,0.00129402);(55.934688,0.24288594);(56.942498,0.04003124);(56.965041,0.01498399);(57.721137,0.00098509);(57.935065,0.06986168);(58.932889,0.0092475);(59.639225,0.00101686);(59.88849,0.0009013);(59.93048,0.11339521);(60.827392,0.00098793);(60.930759,0.00178181);(61.010879,0.70674333);(61.92802,0.1162121);(62.014223,0.00720657);(62.0187,0.24961298);(62.257482,0.00081812);(62.749308,0.00089316);(62.990113,1.0);(63.006661,0.04453584);(63.018198,0.00088336);(63.022061,0.00244045);(63.026485,0.01254169);(63.281042,0.00083291);(63.675685,0.00106733);(63.901372,0.00069969);(63.927589,0.05610189);(63.989613,0.00163806);(63.993456,0.00652532);(63.997915,0.1026941);(64.014459,0.07712165);(64.336471,0.00100325);(64.932518,0.0009225);(64.985845,0.11673636);(65.017851,0.00088087);(65.038733,0.01654944);(65.925479,0.0011714);(65.993764,0.00132788);(66.327329,0.00090163);(67.962674,0.00096756);(69.070077,0.00108632);(70.034007,0.00107945);(70.040044,0.00085494);(70.065191,0.16791561);(70.941822,0.01805663);(70.955683,0.00124099);(70.957915,0.37909731);(71.068394,0.00134679);(71.825891,0.00097025);(71.929345,0.06154675);(72.517605,0.00094461);(72.93716,0.64600153);(73.046858,0.00479924);(73.16129,0.00095667);(73.93755,0.0012428);(73.945012,0.00583988);(73.956202,0.00111398);(74.530272,0.0008886);(74.892566,0.00087934);(74.897703,0.00096881);(75.150357,0.00098668);(76.054939,0.00097263);(77.00558,0.02927252);(77.548148,0.00090883);(78.013417,0.60900327);(78.168097,0.00089928);(78.911127,0.00090884);(78.952106,0.01716413);(79.012722,0.00111724);(79.016888,0.00945537);(79.021221,0.1623579);(79.054237,0.01879109);(79.827528,0.00091425);(80.009146,0.06799319);(80.441855,0.00103607);(80.948987,0.00771598);(81.017087,0.00658022);(81.069838,0.00206135);(81.17825,0.00127896);(81.959794,0.00096761);(82.947665,0.00285029);(83.25394,0.00089754);(83.677055,0.00105238);(84.08051,0.00106352);(85.007069,0.00085219);(85.911206,0.00609104);(87.906493,0.32647449);(87.909241,0.00165146);(88.075745,0.08114147);(88.514845,0.00094812);(88.914303,0.00952293);(88.952328,0.02419545);(88.968461,0.22355186);(88.971261,0.00162914);(89.939983,0.002045);(90.94773,0.61239959);(91.054261,0.67411644);(91.057296,0.05574498);(91.377477,0.00083358);(91.429942,0.00097633);(91.958302,0.00099739);(92.057545,0.04985401);(92.91026,0.0020858);(93.069808,0.01478654);(93.956136,0.00111384);(94.06509,0.00259771);(94.943336,0.00097437);(95.866514,0.00084331);(95.873607,0.00106656);(95.951285,0.01050492);(97.525748,0.00091031);(97.948971,0.01142848);(98.451149,0.00096131);(99.022154,0.00090748);(99.948567,0.00388879);(101.846469,0.00100091);(102.92996,0.02196643);(102.984013,0.00105634);(103.921708,0.00211635);(104.963365,0.02131837);(105.033498,0.00439149);(105.069946,0.01081876);(105.917065,0.18106546);(105.934805,0.00285086);(106.065307,0.00090935);(106.086294,0.00324793);(106.924938,0.00387027);(106.963349,0.00114444);(106.979012,0.01423429);(106.992341,0.0009743);(107.072974,0.02038408);(107.085567,0.00202664);(107.950208,0.00138391);(108.080733,0.01590944);(108.487584,0.00102471);(108.811842,0.00093647);(108.958308,0.14126859);(109.581811,0.00093863);(110.024908,0.00081749);(110.803711,0.00093583);(112.918154,0.00321862);(113.459248,0.00093731);(113.643987,0.00101722);(113.963266,0.00093588);(114.091429,0.01166251);(114.475261,0.00088821);(115.831172,0.00084645);(117.917001,0.05104579);(118.924843,0.00103603);(118.945215,0.00865508);(118.98316,0.00104302);(120.181625,0.00097285);(120.476801,0.01600033);(120.646891,0.00101112);(120.940557,0.35779885);(120.980902,0.00106449);(121.475314,0.00378783);(121.53479,0.00090688);(121.991578,0.00091768);(122.931311,0.0010072);(123.927701,0.06858234);(124.903279,0.00265648);(124.935986,0.00355225);(125.51834,0.00089918);(125.911407,0.00351996);(126.858392,0.00100396);(126.899606,0.0010144);(127.907949,0.00136976);(127.98854,0.00150529);(129.906936,0.00128815);(131.369766,0.00093359);(132.081056,0.00101547);(132.101948,0.04899266);(133.900466,0.00095986);(134.598802,0.00090852);(134.919785,0.00246911);(134.956281,0.00475664);(135.1042,0.00139627);(135.927675,0.13658797);(135.933185,0.00111827);(136.935279,0.00535838);(136.955862,0.00489206);(138.668976,0.0010029);(138.915643,0.00348742);(138.9511,0.3232748);(139.913744,0.00098979);(139.923425,0.01968843);(140.912835,0.01489798);(141.92083,0.03755783);(141.942709,0.19772415);(141.948874,0.00163692);(142.913351,0.00822544);(142.928369,0.00307629);(142.965974,0.00098881);(143.46697,0.00097587);(143.921061,0.01631825);(143.939403,0.12153215);(144.928749,0.00107004);(144.940602,0.01008027);(145.93837,0.06693625);(146.601264,0.00088005);(148.955709,0.00114544);(148.971852,0.00361191);(150.11231,0.00593267);(150.127634,0.01320963);(150.951103,0.03810626);(151.959059,0.00247196);(152.143351,0.0011386);(152.966635,0.00256444);(153.287862,0.00089631);(153.93807,0.10787111);(153.958941,0.00269158) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.946265,0.0010963);(51.174521,0.00091249);(52.538872,0.00090642);(52.945261,0.00102448);(53.978914,0.00093503);(54.529077,0.00093678);(56.072726,0.0010719);(57.974292,0.427373);(58.48706,0.0010641);(58.774931,0.00091355);(58.973688,0.00100301);(59.970121,0.00107094);(60.907045,0.00100454);(61.986951,0.03291826);(62.564631,0.00102929);(63.960895,0.00093898);(66.629391,0.0009892);(67.936388,0.00091779);(68.073953,0.00095823);(69.399917,0.0009358);(71.048894,0.00093092);(71.527201,0.00099266);(72.081524,0.00108765);(72.18394,0.00109468);(73.089468,0.00093516);(73.464317,0.00097404);(74.989382,0.07044409);(75.999501,0.00090525);(76.934388,0.00111799);(77.620747,0.00098189);(77.791741,0.0011226);(78.1179,0.001193);(78.153696,0.00102181);(78.57411,0.00095279);(78.62657,0.0012476);(79.786017,0.00101549);(79.95597,0.01763538);(80.963774,0.01287123);(81.858007,0.00094577);(82.387601,0.00099543);(82.959571,0.00110424);(83.123973,0.00098408);(83.354997,0.001016);(83.374247,0.00101337);(83.834301,0.00095892);(84.285794,0.00099254);(85.02797,0.00105607);(86.768669,0.00100159);(87.007401,0.00354795);(88.446465,0.00098365);(89.023084,0.04462814);(89.025807,0.00089435);(90.869885,0.00095577);(93.000015,0.08889783);(94.166915,0.00093873);(94.282758,0.0008931);(95.480468,0.00095149);(95.676603,0.00107612);(96.564639,0.00098413);(97.830148,0.00095704);(102.033624,0.05784543);(102.102323,0.00097033);(106.98976,0.0010301);(108.044185,0.00628024);(109.821674,0.00101719);(113.054087,0.00104776);(115.167319,0.00094684);(116.049303,0.19792456);(117.052748,0.00414671);(118.9791,0.00116911);(120.272957,0.0010797);(121.028805,0.00107662);(122.319893,0.00107505);(122.349924,0.00110416);(123.3763,0.00107999);(123.907029,0.00105116);(126.89137,0.0010088);(128.916625,0.0009562);(134.864097,0.00093905);(135.049903,0.00117025);(138.066532,0.00101807);(138.514422,0.00088081);(139.316013,0.00097593);(139.87546,0.00108198);(146.023642,0.01869107);(146.054441,0.00112049);(147.013666,0.13125063);(147.065286,0.00105557);(148.021514,1.0);(148.95144,0.04221217);(149.008499,0.78616004);(149.024835,0.08561225);(150.0021,0.00108609);(150.007931,0.02717385);(150.017484,0.02201286);(150.036587,0.00230847);(150.98766,0.01191036);(151.048775,0.00112275) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (51.943483,0.00127884);(52.369406,0.00130021);(52.724191,0.00124207);(52.834642,0.00143941);(54.149891,0.00126664);(54.297782,0.00123201);(54.399069,0.00117337);(54.786649,0.0012744);(55.710237,0.00108126);(56.019829,0.00116486);(56.739201,0.00123581);(57.014782,0.00113574);(57.642785,0.00126221);(57.966179,0.00236635);(57.974291,1.0);(57.975864,0.01370969);(57.982662,0.00267072);(58.973601,0.0041899);(58.97766,0.00138004);(59.412668,0.00131505);(59.881474,0.0011777);(59.96587,0.00883795);(59.970077,0.01247356);(60.559712,0.00122839);(61.419575,0.00126746);(61.986946,0.03827892);(62.534131,0.00126831);(62.590759,0.00121426);(62.805977,0.00128236);(64.320236,0.00121532);(65.110187,0.00115026);(65.630589,0.00123528);(66.006695,0.00115081);(66.413696,0.00122926);(67.176778,0.00106079);(69.397735,0.00110339);(69.488769,0.001164);(70.098876,0.00129871);(70.418859,0.00143132);(70.701085,0.00107386);(70.959566,0.00124573);(71.049157,0.00127958);(73.513404,0.00125305);(74.989397,0.24659855);(74.991689,0.00222527);(75.08732,0.00120007);(75.838775,0.00128977);(75.839563,0.00153923);(75.840168,0.00162866);(75.960737,0.00347514);(77.991896,0.00130908);(78.201496,0.00120849);(78.46432,0.0013075);(79.749036,0.00129876);(79.955979,0.05766945);(80.963828,0.01300448);(82.248761,0.00120647);(82.959529,0.00286781);(85.079008,0.00130747);(89.023042,0.0257729);(89.125728,0.0012712);(91.121963,0.00125067);(91.273561,0.00128641);(91.393861,0.00128806);(93.00004,0.37594433);(95.98329,0.00124277);(96.213969,0.00120829);(97.759085,0.00146865);(99.488178,0.00144968);(102.033679,0.08410585);(104.510397,0.00122767);(108.044054,0.00390428);(113.201664,0.00125751);(116.049311,0.25863558);(116.930448,0.00131295);(116.94614,0.00116689);(117.052486,0.00689985);(121.028075,0.00345546);(125.512218,0.0012047);(127.213758,0.00136027);(128.085399,0.00117027);(135.11646,0.001451);(136.972033,0.01253092);(139.334326,0.00135176);(141.153428,0.00137385);(146.023561,0.01576245);(147.013687,0.1409884);(148.021563,0.27151094);(148.455321,0.00137432);(148.951584,0.00782339);(149.008463,0.43421393);(149.024681,0.01668138);(150.007603,0.00423993);(150.987753,0.04876854);(152.966776,0.00521989) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (41.03912516,0.0458470369);(43.05477522,0.0127563562);(46.9955461,0.4325627424);(51.0234751,0.0522871239);(52.01872406,0.0004869963);(53.03912516,0.0473029697);(54.03437413,0.0006688782);(59.99079506,0.0040567986);(65.03912516,0.0301532444);(67.05477522,0.0096612563);(74.00644513,0.0001059003);(75.0234751,0.0019749782);(76.01872406,0.0002141904);(78.03437413,0.0012790691);(83.99079506,0.0176036536);(86.00644513,0.0270561379);(98.00644513,0.0389297743);(100.0220952,0.007168884);(104.0500242,2.237073408);(107.9907951,0.0610609014);(110.0064451,0.0623708599);(122.0064451,0.0500908895);(124.0220952,0.138127923);(134.0064451,0.2571764055);(150.0377453,96.46398362) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03912516,0.1058279067);(43.05477522,0.087650754);(46.9955461,0.8732133276);(51.0234751,0.5191471912);(52.01872406,0.0032053663);(53.03912516,0.1327793172);(54.03437413,0.009368627);(59.99079506,0.0253033077);(65.03912516,0.6847976228);(67.05477522,0.8629351157);(74.00644513,0.0029997362);(75.0234751,0.0187167011);(76.01872406,0.0158998664);(78.03437413,0.031785677);(83.99079506,0.1224944031);(86.00644513,0.167477544);(98.00644513,0.0971388075);(100.0220952,0.033103595);(104.0500242,5.077506111);(107.9907951,0.1351337263);(110.0064451,0.0915829341);(122.0064451,0.6047569731);(124.0220952,1.081241111);(134.0064451,0.9353395006);(150.0377453,88.28059478) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,1.27878663);(43.05477522,0.3404889105);(46.9955461,5.159901232);(51.0234751,8.073708232);(52.01872406,0.9660124481);(53.03912516,3.126347112);(54.03437413,0.9664155345);(59.99079506,1.713924251);(65.03912516,5.411416845);(67.05477522,0.8572828883);(74.00644513,0.2101527493);(75.0234751,1.941849937);(76.01872406,0.537103755);(78.03437413,1.962650477);(83.99079506,1.606876162);(86.00644513,0.8016078898);(98.00644513,2.649315326);(100.0220952,0.353416135);(104.0500242,18.24059423);(107.9907951,6.215224498);(110.0064451,0.8330320895);(122.0064451,3.469567766);(124.0220952,4.729230375);(134.0064451,7.491114307);(150.0377453,21.06398022) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (39.0234751,0.0072211133);(41.03912516,0.0016074829);(44.97989603,4.80599531);(49.00782503,0.0031429977);(50.003074,0.0009973591);(51.0234751,0.0209410126);(52.01872406,0.0009551929);(57.975145,0.0056952288);(63.0234751,0.0469042429);(65.03912516,0.0262357183);(71.99079506,0.0001324591);(74.003074,0.0000844744);(76.01872406,0.0009324372);(81.975145,0.0842637369);(83.99079506,0.1589786034);(95.99079506,0.1188203363);(98.00644513,0.0235097797);(102.0343741,2.888362071);(105.975145,0.0089377896);(107.9907951,0.0276305356);(119.9907951,0.0157756902);(122.0064451,0.173552486);(131.9907951,0.083295401);(148.0220952,91.49602854) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (39.0234751,0.0917751326);(41.03912516,0.0227240327);(44.97989603,2.556582253);(49.00782503,0.0663244405);(50.003074,0.011759129);(51.0234751,0.0982920105);(52.01872406,0.0084394562);(57.975145,0.6272921192);(63.0234751,0.0479904775);(65.03912516,0.1951901719);(71.99079506,0.0020477866);(74.003074,0.0054177676);(76.01872406,0.0147583041);(81.975145,0.7498519326);(83.99079506,3.008576118);(95.99079506,0.3101407382);(98.00644513,0.0649112934);(102.0343741,8.740009946);(105.975145,0.0588775883);(107.9907951,0.250271573);(119.9907951,0.1962247722);(122.0064451,0.5487844731);(131.9907951,0.5293988841);(148.0220952,81.7943596) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.0234751,0.2349063622);(41.03912516,0.2621218485);(44.97989603,12.56509876);(49.00782503,1.551708582);(50.003074,1.076821305);(51.0234751,2.928730013);(52.01872406,0.9949168276);(57.975145,6.692851972);(63.0234751,0.4282901246);(65.03912516,0.2827168838);(71.99079506,0.3858454149);(74.003074,0.3810544871);(76.01872406,1.181613796);(81.975145,1.45177718);(83.99079506,1.442704754);(95.99079506,2.759172823);(98.00644513,0.2399704474);(102.0343741,32.07111948);(105.975145,1.701927866);(107.9907951,0.2113877892);(119.9907951,1.498349779);(122.0064451,2.965460061);(131.9907951,2.990327337);(148.0220952,23.70112611) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(150.0372,35.41);(150.0372,35.41);(150.0372,35.41);(150.0372,35.41) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (89.03858,7.11);(89.03858,7.11);(89.03858,7.11);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.02293,13.66);(63.02293,15.79);(65.03858,100.0);(65.03858,100.0);(75.02293,10.77);(75.02293,10.77);(77.03858,28.72);(78.03383,9.09);(78.03383,9.09);(79.05423,11.96);(79.05423,11.96);(80.04948,39.53);(80.04948,39.53);(89.03858,9.69);(89.03858,9.69);(89.03858,9.69);(90.03383,12.56);(90.03383,12.56);(90.03383,12.56);(91.05423,94.05);(91.05423,94.05);(91.05423,94.05);(91.05423,94.05);(104.04948,24.69);(104.04948,24.69);(104.04948,24.69);(106.06513,20.1);(106.06513,20.1);(106.06513,20.1);(106.06513,20.1) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (148.02264,100.0);(148.02264,100.0);(148.02264,100.0);(148.02264,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (77.03967,42.83);(77.03967,42.83);(148.02264,100.0);(148.02264,100.0);(148.02264,100.0);(148.02264,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (57.97569,100.0);(77.03967,20.64);(77.03967,20.64);(81.97569,20.86);(105.97569,14.34);(119.99134,10.22);(122.00699,16.81);(122.00699,16.81) |
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