| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,4.6);(40.0,2.5);(41.0,6.4);(42.0,0.16);(43.0,5.9);(44.0,1.3);(45.0,3.3);(50.0,0.64);(51.0,10.9);(52.0,2.3);(53.0,4.9);(55.0,0.6);(56.0,2.5);(57.0,7.4);(59.0,1.2);(60.0,0.16);(61.0,1.9);(62.0,3.4);(63.0,6.3);(64.0,0.15);(65.0,6.1);(66.0,1.2);(67.0,5.0);(68.0,0.42);(69.0,5.3);(70.0,1.7);(71.0,3.0);(73.0,0.24);(74.0,1.8);(76.0,3.1);(77.0,17.1);(78.0,0.26);(79.0,12.8);(80.0,2.2);(81.0,6.6);(82.0,0.16);(83.0,3.0);(84.0,1.1);(85.0,1.6);(91.0,0.27);(92.0,2.4);(93.0,7.5);(94.0,3.0);(95.0,1.76);(96.0,4.7);(97.0,2.0);(98.0,1.0);(105.0,0.14);(107.0,3.5);(108.0,1.4);(109.0,3.0);(111.0,1.72);(112.0,2.0);(115.0,1.0);(119.0,5.7);(120.0,0.11);(121.0,15.0);(122.0,3.0);(123.0,1.2);(124.0,0.1);(125.0,2.0);(129.0,1.1);(135.0,1.3);(136.0,0.2);(137.0,3.4);(138.0,1.1);(139.0,7.7);(149.0,0.71);(150.0,1.2);(151.0,2.0);(157.0,1.2);(165.0,0.66);(166.0,2.7);(167.0,34.7);(168.0,3.1);(169.0,0.14);(181.0,1.1);(182.0,99.99);(183.0,11.7);(184.0,1.6) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,1.8);(41.0,3.5);(43.0,1.9);(45.0,1.4);(53.0,2.0);(55.0,4.7);(59.0,1.4);(65.0,7.9);(67.0,3.7);(68.0,3.5);(69.0,2.0);(77.0,18.6);(78.0,1.7);(79.0,5.8);(81.0,3.6);(92.0,1.5);(93.0,7.3);(94.0,1.9);(95.0,11.1);(96.0,5.0);(107.0,3.4);(109.0,1.9);(111.0,16.9);(119.0,1.6);(121.0,13.4);(122.0,2.2);(125.0,1.6);(137.0,1.7);(139.0,5.9);(149.0,3.1);(165.0,5.7);(166.0,1.7);(167.0,22.9);(168.0,2.4);(182.0,99.99);(183.0,9.5);(184.0,1.4) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,4.6);(40.0,2.5);(41.0,6.4);(42.0,0.16);(43.0,5.9);(44.0,1.3);(45.0,3.3);(50.0,0.64);(51.0,10.9);(52.0,2.3);(53.0,4.9);(55.0,0.6);(56.0,2.5);(57.0,7.4);(59.0,1.2);(60.0,0.16);(61.0,1.9);(62.0,3.4);(63.0,6.3);(64.0,0.15);(65.0,6.1);(66.0,1.2);(67.0,5.0);(68.0,0.42);(69.0,5.3);(70.0,1.7);(71.0,3.0);(73.0,0.24);(74.0,1.8);(76.0,3.1);(77.0,17.1);(78.0,0.26);(79.0,12.8);(80.0,2.2);(81.0,6.6);(82.0,0.16);(83.0,3.0);(84.0,1.1);(85.0,1.6);(91.0,0.27);(92.0,2.4);(93.0,7.5);(94.0,3.0);(95.0,1.76);(96.0,4.7);(97.0,2.0);(98.0,1.0);(105.0,0.14);(107.0,3.5);(108.0,1.4);(109.0,3.0);(111.0,1.72);(112.0,2.0);(115.0,1.0);(119.0,5.7);(120.0,0.11);(121.0,15.0);(122.0,3.0);(123.0,1.2);(124.0,0.1);(125.0,2.0);(129.0,1.1);(135.0,1.3);(136.0,0.2);(137.0,3.4);(138.0,1.1);(139.0,7.7);(149.0,0.71);(150.0,1.2);(151.0,2.0);(157.0,1.2);(165.0,0.66);(166.0,2.7);(167.0,34.7);(168.0,3.1);(169.0,0.14);(181.0,1.1);(182.0,99.99);(183.0,11.7);(184.0,1.6) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,1.8);(41.0,3.5);(43.0,1.9);(45.0,1.4);(53.0,2.0);(55.0,4.7);(59.0,1.4);(65.0,7.9);(67.0,3.7);(68.0,3.5);(69.0,2.0);(77.0,18.6);(78.0,1.7);(79.0,5.8);(81.0,3.6);(92.0,1.5);(93.0,7.3);(94.0,1.9);(95.0,11.1);(96.0,5.0);(107.0,3.4);(109.0,1.9);(111.0,16.9);(119.0,1.6);(121.0,13.4);(122.0,2.2);(125.0,1.6);(137.0,1.7);(139.0,5.9);(149.0,3.1);(165.0,5.7);(166.0,1.7);(167.0,22.9);(168.0,2.4);(182.0,99.99);(183.0,9.5);(184.0,1.4) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (23.99945142,1.405620517);(25.00727602,2.007254207);(27.02292522,1.804029954);(44.99710422,1.877633649);(55.01783932,1.322902448);(67.98927962,1.182182102);(69.03348852,2.202259829);(71.01275342,1.305624575);(97.02840262,1.966280307);(107.0491377,2.052117439);(123.0440518,2.849045224);(124.0154921,1.479839724);(126.0311413,1.154716123);(135.0440518,2.333205308);(136.0518764,5.035538716);(137.059701,3.387557168);(138.0311413,2.345052136);(138.0675256,5.982512652);(139.0389659,4.928228538);(149.0233167,1.385502095);(150.0311413,4.484122028);(151.0389659,2.774483197);(152.0467905,6.016021957);(153.0546151,2.915560505);(154.0624397,3.115039576);(164.0467905,5.41742881);(165.0546151,4.131193898);(166.0260554,4.557345555);(167.03388,6.56091526);(181.0495292,2.206105242);(182.0573538,9.81468126) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,0.8803227885);(55.01783932,0.8097905576);(57.03348852,1.084848501);(59.03115062,1.099527774);(69.03348852,0.959987162);(71.03115062,1.237308298);(73.04679982,12.08508325);(74.04796012,1.03407509);(74.05462442,0.9172506811);(75.02606472,1.175701806);(75.06244902,0.9628143239);(89.04171392,3.187438864);(111.0440518,1.109492795);(135.0440518,1.597719827);(136.0518764,1.369136252);(137.059701,2.697145307);(138.0675256,1.949497417);(164.0467905,1.270336271);(165.0546151,4.074508005);(181.0495292,2.032783989);(182.0573538,1.956579683);(183.0651784,1.278637924);(209.0628405,1.349527343);(211.0784897,1.562943551);(222.0706651,1.009131358);(223.0784897,1.082301383);(224.0863143,1.684823553);(238.0655792,1.799912506);(239.0734038,6.112089247);(240.0757232,1.085001695);(254.0968776,1.820226309) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.835634974);(25.00727602,0.9328859702);(26.01510062,0.7593720261);(27.02292522,1.430037206);(44.99710422,1.12842214);(55.01783932,1.154434225);(67.98927962,0.8334660454);(69.03348852,1.324676328);(97.02840262,1.361406436);(107.0491377,1.354330692);(123.0440518,1.994398335);(124.0154921,1.132732514);(126.0311413,0.8314937822);(135.0440518,1.437659179);(136.0518764,3.597083325);(137.059701,2.39604971);(138.0311413,1.675162959);(138.0675256,4.279422199);(139.0389659,3.3134996);(149.0233167,1.558257037);(150.0311413,2.402862543);(151.0389659,1.778108378);(152.0467905,3.275233317);(153.0546151,1.539540743);(154.0624397,1.749483178);(164.0467905,5.570617008);(165.0546151,2.55526392);(166.0260554,2.437301823);(167.03388,4.245987272);(181.0495292,1.575907728);(182.0573538,7.271751106) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.835634974);(25.00727602,0.9328859702);(26.01510062,0.7593720261);(27.02292522,1.430037206);(44.99710422,1.12842214);(55.01783932,1.154434225);(67.98927962,0.8334660454);(69.03348852,1.324676328);(97.02840262,1.361406436);(107.0491377,1.354330692);(123.0440518,1.994398335);(124.0154921,1.132732514);(126.0311413,0.8314937822);(135.0440518,1.437659179);(136.0518764,3.597083325);(137.059701,2.39604971);(138.0311413,1.675162959);(138.0675256,4.279422199);(139.0389659,3.3134996);(149.0233167,1.558257037);(150.0311413,2.402862543);(151.0389659,1.778108378);(152.0467905,3.275233317);(153.0546151,1.539540743);(154.0624397,1.749483178);(164.0467905,5.570617008);(165.0546151,2.55526392);(166.0260554,2.437301823);(167.03388,4.245987272);(181.0495292,1.575907728);(182.0573538,7.271751106) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (122.968668,0.709009);(136.967253,100.0);(165.944717,8.485857) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (122.95988,0.667767);(136.963231,100.0);(165.944456,8.500789) | | LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.709734,0.00010422);(51.528945,0.00008761);(51.849945,0.00016085);(51.899734,0.00012808);(52.161237,0.00009497);(52.291549,0.00009088);(52.868994,0.00012467);(52.908385,0.00011723);(53.237033,0.00008015);(53.364218,0.00016711);(54.398543,0.00012653);(54.488708,0.00012097);(55.017579,0.00123058);(55.369844,0.00009517);(56.299226,0.00008441);(56.55745,0.00009138);(56.999866,0.00008687);(57.005176,0.00009366);(57.12433,0.00012853);(57.260531,0.00012345);(57.555348,0.00012471);(57.64087,0.0001193);(58.346967,0.00009005);(58.466091,0.00014075);(58.546555,0.00011942);(58.569821,0.00008553);(59.129808,0.00009621);(59.273681,0.00011981);(59.728911,0.0001412);(60.155512,0.00011873);(60.630187,0.0001264);(60.733111,0.00009803);(61.905522,0.00007652);(61.949558,0.00011);(62.290233,0.00009687);(62.511511,0.00007806);(62.800328,0.00008484);(62.872163,0.0000888);(62.884357,0.00012034);(63.420669,0.00009078);(63.550602,0.00010914);(63.961055,0.00117817);(64.077159,0.00011121);(64.160751,0.00011101);(64.303897,0.00010605);(64.505065,0.00007903);(65.921207,0.00010825);(66.676185,0.00010057);(66.836553,0.00012118);(67.017562,0.06628919);(67.676375,0.00007452);(67.692796,0.00011417);(68.020904,0.00105918);(68.156313,0.00008219);(68.996836,0.00253534);(69.033229,0.00063787);(69.162973,0.00011298);(69.689587,0.00008834);(70.699768,0.00009066);(72.757111,0.00016416);(73.323468,0.00010921);(73.92044,0.00010407);(74.455964,0.00012677);(74.78819,0.00011877);(75.20941,0.00010684);(76.139459,0.00015716);(76.264341,0.00013681);(76.481252,0.00014515);(77.038291,0.0151576);(77.74109,0.00009642);(78.984549,0.00706007);(79.017545,0.00305744);(80.038581,0.00012276);(80.941037,0.0001205);(81.033157,0.0060494);(81.249199,0.00009747);(81.595442,0.00009864);(82.070818,0.00011769);(82.947184,0.00013197);(83.012512,0.00934181);(85.366234,0.00011954);(86.947509,0.00012358);(87.887935,0.0001029);(88.23667,0.0001241);(88.433791,0.00013114);(89.123243,0.0001324);(89.816449,0.00016857);(90.191733,0.00013504);(90.222568,0.00008822);(91.719659,0.00009516);(91.839185,0.00011858);(92.228265,0.00009038);(92.25202,0.00010582);(93.030503,0.00117384);(93.033262,0.04524358);(94.036599,0.00118496);(94.266404,0.00011765);(94.979258,0.00012114);(95.012533,0.02150807);(95.229475,0.00010819);(95.870719,0.00011354);(96.826729,0.00009193);(97.028329,0.00023706);(98.900405,0.00013226);(99.924393,0.00038816);(100.698453,0.00014524);(100.92458,0.0002986);(101.608836,0.00010738);(101.901505,0.0001096);(103.927074,0.00009682);(104.386188,0.00016152);(104.979128,0.000119);(105.033303,0.03082859);(105.039525,0.00013063);(106.036665,0.00128697);(106.242096,0.00010249);(107.012534,0.01778778);(107.048999,0.11011752);(107.307498,0.00012182);(108.016462,0.0004841);(108.020357,0.01841047);(108.052339,0.00687494);(108.587706,0.00010276);(109.024077,0.00022629);(109.028249,0.00676446);(109.148746,0.00011396);(109.999785,0.00928457);(110.012255,0.0000973);(111.007542,0.07259665);(111.789537,0.00013004);(112.010986,0.00200628);(112.986771,0.00085561);(113.397018,0.00014401);(114.491491,0.00012977);(115.106412,0.00012622);(117.870084,0.00012156);(118.101427,0.00011322);(120.172958,0.00012341);(121.028295,0.00601273);(121.075289,0.00012802);(122.036121,0.1654822);(123.007603,0.01646411);(123.035743,0.00041978);(123.043941,1.0);(123.111135,0.00013275);(124.047278,0.06833767);(125.023201,0.00733807);(125.048438,0.0001236);(130.699318,0.00010403);(133.937602,0.00013371);(135.197111,0.00013311);(137.059636,0.15086119);(138.031041,0.02403413);(138.063014,0.01160529);(139.00256,0.01147165);(139.034511,0.00027155);(139.222765,0.00011921);(139.681672,0.0001359);(143.864149,0.00012387);(146.673995,0.00014935);(149.742955,0.00013286);(150.421694,0.00010891);(150.657732,0.00012087);(151.038918,0.00186296);(153.018407,0.00008473);(154.444327,0.00015553);(155.551136,0.00014082);(159.178626,0.00011566);(161.75098,0.00010776);(163.326017,0.00010978);(164.032657,0.00015482);(164.082149,0.00009021);(164.681788,0.00012339);(166.026169,0.0771388);(166.404845,0.00008474);(167.02961,0.00613393);(167.775373,0.00008484);(170.714166,0.0001241);(174.479586,0.0001709);(174.959968,0.000122);(178.069386,0.00015752);(178.799453,0.00014326);(179.056648,0.00827441);(179.881565,0.00012152);(180.060251,0.00025732);(181.049738,0.49838324);(181.73636,0.00010437);(182.053097,0.04526971);(183.054703,0.00012893) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.01382,0.00057893);(50.051403,0.00059353);(50.126031,0.00051645);(50.527454,0.00067872);(50.544365,0.00065424);(50.572779,0.00066291);(50.990509,0.00053836);(51.389826,0.00063118);(51.539753,0.0005477);(51.643979,0.00055122);(52.138218,0.00059708);(52.916486,0.00066388);(53.358567,0.00058648);(53.663064,0.00070367);(53.742941,0.00055202);(54.694195,0.000694);(54.924033,0.0006131);(55.017609,0.00435312);(55.452031,0.00060703);(56.036297,0.00066045);(56.082769,0.00059619);(56.750242,0.00055734);(56.894364,0.00061032);(57.928081,0.00066082);(58.102489,0.00067891);(60.157005,0.00061241);(60.207624,0.00065145);(60.292749,0.00070295);(60.796972,0.0006537);(61.359069,0.00065335);(62.149825,0.00059409);(63.125515,0.00047635);(63.662535,0.00061233);(63.961109,0.00158434);(64.731798,0.00063339);(65.150125,0.00046821);(65.28414,0.00067813);(65.610137,0.0006969);(65.707194,0.00081114);(66.505433,0.00059853);(66.700103,0.0005659);(66.804043,0.00045944);(67.017561,0.30683395);(67.564797,0.00047828);(67.856805,0.00058663);(68.020948,0.00584728);(68.877924,0.00055224);(68.994455,0.0005143);(68.996762,0.00730708);(69.03318,0.00451775);(70.420723,0.00074847);(71.022557,0.00059363);(71.709789,0.00065803);(72.581623,0.00061629);(72.757509,0.00054217);(73.489275,0.00059302);(75.613691,0.00049247);(75.705646,0.00053187);(75.904064,0.00049839);(75.97085,0.0005932);(76.289061,0.00088845);(77.038344,0.00440547);(77.100696,0.0004834);(77.633866,0.0007576);(78.061527,0.00070738);(78.096306,0.00063906);(78.39473,0.00072205);(78.984568,0.00482779);(79.017601,0.01513348);(79.944656,0.00077217);(81.033248,0.06664617);(81.220117,0.00049714);(81.719531,0.00073176);(81.803298,0.00068949);(83.012496,0.04928189);(83.711931,0.00117115);(87.474291,0.00048397);(88.061544,0.00046919);(88.565016,0.0005265);(89.885042,0.00053948);(89.961747,0.00051753);(92.013366,0.00070464);(93.033258,0.0475049);(93.127749,0.00064626);(94.306127,0.00061925);(95.012534,0.09467246);(96.015611,0.00057639);(99.316363,0.00045847);(99.924558,0.00156635);(100.391291,0.00073784);(100.543818,0.00076094);(102.245223,0.00049633);(102.472947,0.00083503);(104.802218,0.00068173);(104.892672,0.00063158);(105.033335,0.02241359);(107.012585,0.17240185);(107.048968,0.10490431);(108.01611,0.00518895);(108.020331,0.01671359);(108.26354,0.00045195);(108.826323,0.00060911);(109.028243,0.0337576);(109.333292,0.0005368);(109.725358,0.00057908);(109.751447,0.00061547);(109.999724,0.04223041);(111.007493,0.32572246);(112.010977,0.00886231);(112.986898,0.0009199);(113.355658,0.00041459);(113.488845,0.00063932);(114.41926,0.00061821);(115.589148,0.00063277);(119.361917,0.00061841);(119.446882,0.00064092);(119.699516,0.00070862);(120.373854,0.00045219);(120.378619,0.00054966);(120.858582,0.00049641);(120.992368,0.00069);(121.028477,0.00225292);(122.036124,0.67520112);(122.509156,0.00043492);(123.007504,0.08370665);(123.039708,0.05021764);(123.043964,1.0);(123.363159,0.00060497);(123.682851,0.00065759);(124.047309,0.06215971);(125.023273,0.068591);(130.8593,0.0006996);(132.009788,0.00064303);(134.373887,0.0008162);(137.059675,0.14966302);(137.317397,0.00075998);(138.031158,0.10523522);(138.063143,0.0040535);(139.002694,0.02166803);(139.034367,0.00109217);(139.970063,0.00069035);(140.822311,0.00045173);(141.480445,0.00069354);(141.999508,0.0007457);(142.701616,0.00075648);(142.752752,0.00064167);(146.086344,0.00064949);(147.772391,0.00068078);(149.256862,0.0004985);(150.745329,0.00072792);(153.430768,0.00046023);(153.999851,0.00058128);(154.692555,0.00050778);(159.781303,0.00063506);(161.486267,0.00067633);(161.775956,0.00063979);(162.211975,0.00088277);(164.033597,0.0006523);(166.018897,0.00095762);(166.026251,0.05424939);(170.392671,0.00063854);(171.182094,0.0006293);(177.27924,0.00059103);(177.453211,0.0006551);(177.670272,0.00059368);(178.905931,0.00061768);(179.056494,0.00464194);(179.90315,0.00069639);(180.060446,0.00070035);(181.049757,0.21345451);(181.894364,0.00074235);(182.05315,0.01321355);(182.528805,0.00074584) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.597471,0.00035391);(51.022691,0.00491798);(51.183091,0.00046176);(51.612654,0.00047858);(51.845328,0.00039591);(52.108891,0.00053677);(52.211463,0.00061106);(52.288941,0.00037731);(52.509453,0.00070441);(52.749206,0.00064361);(52.921654,0.0005174);(53.341078,0.00040665);(53.45056,0.00039846);(54.110908,0.00048599);(55.017598,0.01219286);(55.360136,0.00050448);(56.703607,0.00051462);(57.635357,0.00051721);(57.637035,0.00048655);(57.710054,0.00060211);(57.722736,0.00052201);(58.135059,0.00040881);(59.134117,0.00059061);(59.194964,0.0005194);(59.695958,0.0004943);(60.031912,0.00046312);(60.126626,0.00051985);(60.890105,0.00054554);(61.076216,0.00041693);(61.259507,0.00038497);(61.42869,0.00037158);(62.660035,0.00045998);(63.010144,0.0004059);(63.86645,0.00045645);(63.961119,0.00458211);(64.42001,0.00042474);(65.005563,0.00050021);(65.160157,0.00052138);(65.209794,0.00052473);(66.276094,0.00043154);(66.381883,0.0004822);(66.426299,0.00051541);(67.017559,0.32017955);(67.029647,0.00064342);(67.178621,0.00057184);(67.247384,0.00059322);(67.476368,0.0005035);(67.514971,0.00052059);(67.518914,0.00050891);(67.568311,0.00048635);(68.020951,0.00790518);(68.996832,0.01481642);(69.033222,0.02822618);(69.360005,0.0005949);(69.537035,0.00048854);(70.046762,0.00062247);(70.048952,0.00063703);(70.1344,0.00033115);(70.200667,0.00051114);(70.627693,0.00036559);(71.249384,0.00043253);(71.650053,0.00052008);(71.706425,0.00040943);(71.815454,0.00046034);(71.83151,0.00054148);(72.973524,0.00049526);(75.363116,0.00045511);(76.717567,0.00051705);(76.928648,0.00036702);(77.47382,0.0005367);(78.139263,0.00036007);(78.310208,0.00056814);(78.984644,0.00175797);(79.017601,0.06152178);(79.264825,0.00052425);(81.033257,0.40744142);(81.035994,0.00491937);(81.107893,0.00036503);(81.44821,0.00067357);(81.478633,0.00050667);(81.703332,0.00052579);(81.855759,0.00038944);(82.029422,0.00045873);(82.036599,0.01400048);(82.440633,0.0005097);(82.471473,0.00056972);(82.77998,0.00043124);(83.012515,0.04852246);(83.627969,0.00061996);(84.019664,0.0003797);(85.007387,0.00071575);(86.376185,0.00051489);(86.669615,0.00037347);(86.739037,0.00052993);(86.993969,0.0009338);(88.039379,0.00041056);(91.017601,0.01062992);(91.359588,0.00039459);(92.393542,0.00037214);(93.033353,0.00467059);(93.341455,0.00054121);(93.700447,0.00063537);(93.81954,0.00046978);(94.629507,0.00042527);(95.012538,0.16896351);(95.810192,0.00044254);(96.015859,0.00183206);(96.777005,0.00056485);(97.028182,0.0341203);(97.839293,0.0005528);(98.038518,0.00052171);(98.45273,0.00045881);(98.885096,0.00039964);(99.924555,0.00286513);(100.924667,0.00060532);(102.600863,0.00037281);(103.037483,0.00053959);(103.765049,0.00070789);(104.991156,0.00069191);(105.461397,0.00036305);(105.618728,0.00043306);(106.991893,0.00044663);(107.012575,1.0);(107.032208,0.00085776);(107.048977,0.00181584);(108.016008,0.05349919);(108.019988,0.00607355);(108.693765,0.00060337);(109.028275,0.04147119);(109.319168,0.00056385);(109.453787,0.00059297);(109.999735,0.04261487);(110.733172,0.00051219);(111.007494,0.35179879);(111.586385,0.00051532);(112.010917,0.01216958);(112.986829,0.00184062);(113.315469,0.00055081);(116.185295,0.00044322);(116.924841,0.00060735);(118.696192,0.00049183);(118.805918,0.00061314);(120.167005,0.0005212);(121.558919,0.00049191);(122.010688,0.00043589);(122.036121,0.67137354);(122.863632,0.000586);(123.007536,0.19593564);(123.039526,0.0444035);(123.04408,0.07238512);(123.86929,0.000563);(124.011016,0.0082658);(124.047684,0.0006066);(125.023251,0.34745646);(125.258978,0.00045987);(125.682385,0.0004407);(126.026672,0.01586076);(128.246543,0.00052958);(128.471794,0.00076498);(129.331936,0.00051877);(131.266789,0.00053625);(133.249885,0.00063045);(133.567234,0.00058817);(137.059545,0.00504052);(138.031136,0.10836244);(139.002672,0.02097442);(139.034473,0.00227228);(139.709486,0.00063331);(140.085732,0.00059398);(142.740133,0.00049682);(145.453307,0.0005881);(145.679822,0.00039448);(146.995109,0.00058944);(148.057071,0.00061204);(149.788324,0.00064387);(150.138311,0.00052528);(151.002748,0.03599963);(151.22418,0.00065111);(154.249075,0.00056122);(155.417113,0.0004434);(156.02429,0.00056815);(158.200256,0.00064234);(158.806823,0.00055095);(161.543764,0.00059265);(163.857809,0.00060883);(164.655609,0.0004757);(166.027024,0.00054992);(170.065024,0.00064667);(170.927383,0.00051171);(172.199341,0.00066469);(172.464821,0.00047754);(172.575669,0.00050533);(173.8045,0.0004611);(176.220387,0.00053836);(179.33812,0.00058412);(179.629285,0.00068224);(180.289989,0.00038077);(181.050187,0.00243581);(181.650538,0.00064926);(182.787564,0.00053155);(183.221224,0.00041863);(185.639926,0.00039309);(185.956857,0.00040742) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.0008637059);(31.01838972,0.0061704053);(44.99765427,0.0161276184);(51.0234751,0.0014315551);(53.03912516,0.0002825427);(57.03403978,0.0227412929);(59.04968984,0.0048487075);(71.01330434,0.0464105079);(81.03403978,0.0600720185);(83.04968984,0.0081288199);(87.04460446,0.0012544174);(95.01330434,0.0682267288);(97.0289544,0.0229069019);(109.0289544,0.0271135055);(109.0653399,0.0525114099);(113.0602545,0.2183288772);(123.0446045,0.1715743202);(125.023869,0.6872818316);(127.0395191,0.3635701786);(139.0759046,3.929193605);(141.0187836,0.0002108742);(153.0551691,1.449471233);(157.0500838,0.2973108726);(183.0657338,92.54396807) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.008246929);(31.01838972,0.0242099773);(44.99765427,0.0669285652);(51.0234751,0.142025251);(53.03912516,0.0492703345);(57.03403978,0.0973003243);(59.04968984,0.1082233381);(71.01330434,0.144579784);(81.03403978,0.4156885982);(83.04968984,0.0398629046);(87.04460446,0.0020750053);(95.01330434,0.1668938291);(97.0289544,0.3818292566);(109.0289544,0.0476851315);(109.0653399,0.36582434);(113.0602545,0.0550665925);(123.0446045,1.476664871);(125.023869,1.237270722);(127.0395191,0.6323912088);(139.0759046,15.42519383);(141.0187836,0.0015234285);(153.0551691,2.76571028);(157.0500838,0.511298547);(183.0657338,75.83423695) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,0.4192289789);(31.01838972,0.1378227181);(44.99765427,0.4326734154);(51.0234751,6.101225819);(53.03912516,2.223302611);(57.03403978,0.7447405659);(59.04968984,0.1330220119);(71.01330434,2.600339907);(81.03403978,14.06683298);(83.04968984,4.66258721);(87.04460446,0.4783581911);(95.01330434,5.179275599);(97.0289544,4.673562819);(109.0289544,0.2583977771);(109.0653399,6.380036051);(113.0602545,3.912051129);(123.0446045,15.82212808);(125.023869,4.839350758);(127.0395191,4.641682099);(139.0759046,9.004739617);(141.0187836,0.1424631551);(153.0551691,6.784486989);(157.0500838,1.926675184);(183.0657338,4.435016335) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (25.00782503,0.000237766);(31.01838972,0.0002025251);(41.00273965,0.0003066696);(44.99765427,0.000026175);(49.00782503,0.0016185902);(51.0234751,0.0035692759);(55.01838972,0.0290863474);(57.03403978,0.0185413696);(68.99765427,0.0022366465);(79.01838972,0.0062104414);(81.03403978,0.0069914603);(85.0289544,0.0229265099);(92.99765427,0.0004749635);(95.01330434,0.0147647413);(107.0133043,0.0001680312);(107.0496898,0.2385013789);(108.9925689,0.0000122117);(111.0446045,0.137370336);(121.0289544,2.568776046);(123.008219,0.0072250315);(125.023869,0.0624463306);(137.0602545,25.83738928);(151.0395191,0.4498587728);(155.0344337,0.4866091297);(181.0500838,70.10444997) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (25.00782503,0.0025829913);(31.01838972,0.0366757157);(41.00273965,0.0078336445);(44.99765427,0.0117856313);(49.00782503,0.0992849639);(51.0234751,0.4157346493);(55.01838972,0.2341823459);(57.03403978,0.1020169527);(68.99765427,0.197711316);(79.01838972,0.6383338023);(81.03403978,2.631658746);(85.0289544,0.0272565333);(92.99765427,0.4079602466);(95.01330434,0.6874735392);(107.0133043,0.0548426034);(107.0496898,2.603422188);(108.9925689,0.0207685854);(111.0446045,0.5484748028);(121.0289544,15.57999904);(123.008219,4.328678037);(125.023869,2.626318955);(137.0602545,33.54947797);(151.0395191,2.130977429);(155.0344337,0.6821627451);(181.0500838,32.37438657) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00782503,0.3363758263);(31.01838972,0.2886548613);(41.00273965,0.7605878248);(44.99765427,2.037897672);(49.00782503,1.798095822);(51.0234751,3.635634884);(55.01838972,3.733671166);(57.03403978,0.4525980783);(68.99765427,3.910837535);(79.01838972,8.765791221);(81.03403978,10.12266873);(85.0289544,2.088042507);(92.99765427,2.962164318);(95.01330434,6.044319829);(107.0133043,1.115744086);(107.0496898,9.211029917);(108.9925689,0.5915310723);(111.0446045,3.635201223);(121.0289544,16.75125861);(123.008219,3.12627804);(125.023869,5.811816604);(137.0602545,5.91549587);(151.0395191,4.516104116);(155.0344337,0.3495906769);(181.0500838,2.038609508) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (123.04406,22.51);(137.05971,13.08);(137.05971,13.08);(137.05971,13.08);(137.05971,13.08);(137.05971,13.08);(137.05971,13.08);(139.07536,100.0);(139.07536,100.0);(139.07536,100.0);(139.07536,100.0);(139.07536,100.0);(165.05462,41.45);(165.05462,41.45);(165.05462,41.45);(165.05462,41.45);(183.06519,46.6);(183.06519,46.6);(183.06519,46.6);(183.06519,46.6);(183.06519,46.6);(183.06519,46.6);(183.06519,46.6) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (69.03349,6.62);(81.03349,13.05);(81.03349,13.05);(81.03349,13.05);(83.04914,8.94);(93.03349,8.44);(107.04914,12.42);(109.02841,9.08);(109.02841,9.08);(109.02841,9.08);(109.02841,9.08);(109.06479,8.51);(123.04406,27.51);(137.05971,87.43);(137.05971,87.43);(137.05971,87.43);(137.05971,87.43);(137.05971,87.43);(137.05971,87.43);(139.03897,13.17);(139.03897,13.17);(139.03897,13.17);(139.07536,46.35);(139.07536,46.35);(139.07536,46.35);(139.07536,46.35);(139.07536,46.35);(151.03897,7.39);(151.03897,7.39);(151.03897,7.39);(165.05462,37.76);(165.05462,37.76);(165.05462,37.76);(165.05462,37.76);(183.06519,100.0);(183.06519,100.0);(183.06519,100.0);(183.06519,100.0);(183.06519,100.0);(183.06519,100.0);(183.06519,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01784,13.97);(51.02293,100.0);(53.03858,13.61);(55.01784,21.9);(55.01784,21.9);(57.03349,16.47);(79.01784,39.92);(79.01784,39.92);(81.03349,76.13);(81.03349,76.13);(81.03349,76.13);(93.03349,22.41);(95.01276,27.54);(95.01276,27.54);(95.01276,27.54);(95.01276,27.54);(97.02841,26.57);(97.02841,26.57);(97.02841,26.57);(97.02841,26.57);(107.01276,13.27);(107.01276,13.27);(107.04914,12.67);(109.02841,25.99);(109.02841,25.99);(109.02841,25.99);(109.02841,25.99);(113.05971,15.96);(113.05971,15.96);(123.04406,91.4);(137.05971,23.58);(137.05971,23.58);(137.05971,23.58);(137.05971,23.58);(137.05971,23.58);(137.05971,23.58);(165.05462,14.02);(165.05462,14.02);(165.05462,14.02);(165.05462,14.02);(181.04954,68.5);(181.04954,68.5);(181.04954,68.5);(181.04954,68.5) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (181.05063,100.0);(181.05063,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (107.05024,22.43);(109.06589,10.3);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (44.9982,15.16);(55.01894,21.88);(57.03459,13.0);(69.03459,20.43);(79.01894,26.96);(81.03459,29.01);(81.03459,29.01);(93.03459,100.0);(107.05024,36.59);(109.06589,8.03);(137.02442,9.0);(137.02442,9.0);(137.02442,9.0);(137.0608,44.71);(137.0608,44.71);(137.0608,44.71) |
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