| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
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| | | | | | |
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| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (108.020578,1.596600401);(109.0284026,2.056968622);(110.0362272,1.630109171);(121.0284026,2.419640124);(122.0362272,2.305234281);(123.0440518,5.482876705);(137.0233167,0.7196121371);(138.0311413,1.643756331);(139.0389659,1.297410957);(151.0389659,0.9218245232);(216.980129,0.7779063778);(217.9879536,1.663383908);(230.9957782,1.710269881);(232.0036028,1.235285238);(274.0835663,0.7732205906);(285.0393574,0.7175627298);(287.0550066,1.181416319);(288.0628312,0.8477424302);(289.0706558,1.357940548);(290.0784804,1.672723575);(323.993431,0.9535529182);(326.0090802,1.551320329);(328.0247294,1.075104247);(338.0090802,0.728940869);(339.0169048,1.029751681);(340.0247294,2.574496578);(341.032554,1.594302694);(342.0403786,1.326001717);(352.0247294,2.577658243);(353.032554,2.740279668);(370.0352927,1.01480862) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (80.96463989,0.8834078191);(98.97520458,0.5889962258);(109.0289544,1.522281707);(111.0446045,1.040829954);(137.023869,0.7531024805);(139.0395191,2.326490076);(147.0446045,0.7226946365);(165.0551691,0.8324860672);(181.0500838,0.6213305118);(183.0657338,1.517326715);(187.0065047,0.3541266442);(203.0014193,5.09918135);(205.0170694,1.298942391);(207.0327195,1.11538134);(218.9963339,14.4330885);(221.011984,0.7890756913);(223.0276341,0.6829469138);(228.9806839,0.3530431664);(230.9963339,0.4910597837);(233.011984,0.3512439749);(253.0500838,0.5211485475);(255.0657338,0.6419741536);(271.0606485,1.874961059);(273.0762985,4.067151779);(291.0868632,0.580619714);(335.0225487,1.086791735);(341.0331134,0.5871709304);(353.0331134,6.692288003);(353.0331134,9.408786764);(355.0123779,0.4817783219);(371.0436781,38.28029305) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (80.96463989,3.694059298);(107.0496898,0.6194130194);(109.0289544,2.96149982);(111.0446045,1.807338165);(123.0446045,5.529127987);(125.0602545,0.9172107343);(137.023869,1.650590335);(139.0395191,13.70172679);(153.0551691,0.7632976205);(169.0500838,0.6899554614);(183.0657338,0.8552003686);(187.0065047,0.8630701669);(188.9857693,1.311372351);(203.0014193,4.03847703);(205.0170694,1.035811276);(218.9963339,19.02291832);(230.9963339,0.9167448331);(249.0068986,0.7056948891);(255.0657338,1.509454704);(261.0762985,1.071997139);(271.0606485,0.8218013973);(273.0762985,10.26307128);(285.039913,0.7302118495);(289.0712131,0.8772490845);(291.0868632,5.462751848);(335.0225487,1.82215);(335.0225487,2.000773649);(341.0331134,2.494681705);(353.0331134,5.102050309);(353.0331134,2.451366732);(371.0436781,4.308931836) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,2.74802759);(53.03912516,3.072353018);(55.01838972,1.384239306);(67.05477522,1.146822306);(80.96463989,2.338229354);(81.03403978,3.383303398);(93.03403978,5.395809495);(95.04968984,2.028558486);(107.0496898,7.561737943);(109.0289544,5.091079439);(109.0653399,1.495511857);(123.0446045,12.41149647);(125.0602545,2.511562248);(133.0289544,1.746706753);(135.0446045,1.204468648);(137.023869,1.999249371);(139.0395191,2.867656596);(147.0446045,3.073218917);(149.023869,1.36559055);(174.9701192,2.380113907);(176.9857693,1.971838312);(187.0065047,2.539467037);(203.0014193,13.19698067);(205.0170694,1.937913627);(212.9857693,1.525251766);(215.0014193,2.075788597);(218.9963339,2.323593576);(228.9806839,4.51246097);(230.9963339,2.042087254);(253.0500838,1.520362508);(273.0762985,1.148520034) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (80.96463989,0.9070525961);(82.98028996,0.7768701914);(84.99594002,0.1793352058);(96.95955451,1.169415841);(109.0289544,3.18110002);(137.023869,1.045562906);(151.0395191,0.9330093593);(167.0344337,1.301115106);(181.0500838,0.821116558);(186.9701192,1.095821163);(200.9857693,1.367148416);(204.9806839,0.3509634916);(216.9806839,5.002133522);(218.9963339,1.33996323);(258.9912486,0.9234752118);(261.0068986,0.6333260995);(267.0293483,0.2992820058);(269.0449984,0.4218006684);(271.0606485,2.13814047);(283.0242629,0.6322106688);(285.039913,0.4190418486);(287.0555631,0.2771877237);(289.0712131,3.73059863);(311.0225487,0.1662877318);(325.0018132,0.227934459);(327.0174633,0.4858238936);(337.0018132,0.2677240276);(339.0174633,1.414043083);(351.0174633,2.272758582);(351.0174633,5.1353026);(369.028028,61.08445469) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (43.01838972,0.7098840109);(80.96463989,1.041136793);(96.95955451,1.177923238);(107.0133043,2.39878991);(109.0289544,4.079413516);(121.0289544,3.149704876);(133.0289544,1.306513727);(137.023869,6.780346323);(149.023869,2.013752724);(151.0395191,13.6739532);(163.0395191,2.626197715);(179.0344337,1.12363368);(181.0500838,0.868142357);(186.9701192,2.037702684);(200.9857693,0.677263618);(204.9806839,0.9472996821);(216.9806839,7.465561228);(245.0449984,0.8638291268);(247.0606485,1.615725444);(258.9912486,0.861526729);(271.0606485,7.613090256);(283.0242629,1.336514184);(285.039913,1.788305007);(287.0555631,2.7602595);(289.0712131,15.45207646);(325.0018132,1.000169343);(327.0174633,1.397423207);(351.0174633,0.7465742067);(351.0174633,2.943607802);(352.9967279,1.074925273);(369.028028,8.468754187) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,0.8614573453);(64.96972527,1.076084652);(80.96463989,6.273609232);(82.98028996,0.8498259418);(84.99594002,1.326821213);(107.0133043,16.87050648);(109.0289544,6.310653894);(121.0289544,9.798179288);(123.0446045,1.115355194);(125.023869,3.810461587);(125.0602545,0.7612671726);(137.023869,7.074817694);(139.0395191,0.9182747027);(141.0551691,1.203678133);(151.0395191,3.837427313);(162.9701192,1.256190187);(163.0395191,1.587603823);(167.0344337,0.7870392686);(170.9752046,0.9154882669);(179.0344337,3.821876391);(181.0500838,1.600254064);(186.9701192,5.963258386);(188.9493838,0.999989269);(204.9806839,8.957238732);(216.9806839,0.8673201439);(242.9963339,0.829833726);(245.0449984,2.50876392);(247.0606485,1.710605385);(271.0606485,2.973535426);(289.0712131,1.577507183);(351.0174633,1.55507599) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (242.99579,5.83);(261.00635,21.25);(261.00635,21.25);(261.00635,21.25);(261.00635,21.25);(261.00635,21.25);(261.00635,21.25);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(289.07066,6.54);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(353.03256,35.56);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (123.04406,13.54);(123.04406,13.54);(123.04406,13.54);(123.04406,13.54);(137.02332,11.62);(137.02332,11.62);(137.02332,11.62);(139.03897,37.64);(139.03897,37.64);(139.03897,37.64);(139.03897,37.64);(139.03897,37.64);(139.03897,37.64);(167.03389,7.53);(181.04954,13.04);(218.99579,21.08);(218.99579,21.08);(218.99579,21.08);(221.01144,22.38);(221.01144,22.38);(221.01144,22.38);(221.01144,22.38);(221.01144,22.38);(221.01144,22.38);(221.01144,22.38);(230.99579,8.3);(245.01144,10.18);(245.01144,10.18);(246.9907,7.36);(246.9907,7.36);(249.00635,18.17);(249.00635,18.17);(249.00635,18.17);(249.00635,18.17);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(261.07575,13.11);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(271.0601,8.91);(273.07575,20.89);(273.07575,20.89);(273.07575,20.89);(273.07575,20.89);(273.07575,20.89);(273.07575,20.89);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(289.07066,60.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(291.08631,33.98);(313.03765,8.45);(313.03765,8.45);(313.03765,8.45);(313.03765,8.45);(313.03765,8.45);(313.03765,8.45);(315.0533,14.1);(315.0533,14.1);(315.0533,14.1);(325.03765,12.57);(325.03765,12.57);(325.03765,12.57);(325.03765,12.57);(325.03765,12.57);(325.03765,12.57);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(341.03256,6.64);(343.04821,10.75);(343.04821,10.75);(343.04821,10.75);(343.04821,10.75);(343.04821,10.75);(343.04821,10.75);(343.04821,10.75);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(353.03256,44.94);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0);(371.04313,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (53.03858,11.8);(64.96918,21.44);(65.03858,31.12);(95.04914,25.28);(95.04914,25.28);(95.04914,25.28);(107.04914,16.44);(107.04914,16.44);(121.02841,20.44);(121.02841,20.44);(121.02841,20.44);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(135.04406,13.54);(135.04406,13.54);(139.03897,42.32);(139.03897,42.32);(139.03897,42.32);(139.03897,42.32);(139.03897,42.32);(139.03897,42.32);(153.05462,15.06);(153.05462,15.06);(153.05462,15.06);(153.05462,15.06);(163.03897,12.26);(163.03897,12.26);(211.03897,22.45);(213.05462,26.42);(218.99579,11.96);(218.99579,11.96);(218.99579,11.96);(219.06519,13.26);(219.06519,13.26);(241.04954,31.54);(241.04954,31.54);(241.04954,31.54);(241.04954,31.54);(243.06519,12.59);(243.06519,12.59);(243.06519,12.59);(246.9907,19.28);(246.9907,19.28);(249.00635,22.8);(249.00635,22.8);(249.00635,22.8);(249.00635,22.8);(253.04954,33.9);(255.06519,25.25);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(261.07575,18.2);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(269.04445,38.83);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(271.0601,27.23);(273.07575,16.62);(273.07575,16.62);(273.07575,16.62);(273.07575,16.62);(273.07575,16.62);(273.07575,16.62);(301.03765,12.41);(301.03765,12.41);(313.03765,22.35);(313.03765,22.35);(313.03765,22.35);(313.03765,22.35);(313.03765,22.35);(313.03765,22.35);(325.03765,17.9);(325.03765,17.9);(325.03765,17.9);(325.03765,17.9);(325.03765,17.9);(325.03765,17.9);(335.022,13.79);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85);(353.03256,22.85) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (80.96519,26.26);(96.9601,22.15);(123.04515,7.64);(123.04515,7.64);(135.04515,12.55);(149.02442,10.54);(200.98632,6.72);(204.98123,7.13);(216.98123,18.18);(218.99688,8.11);(218.99688,8.11);(218.99688,8.11);(218.99688,8.11);(242.99688,38.28);(242.99688,38.28);(244.97615,6.75);(244.97615,6.75);(246.9918,7.49);(246.9918,7.49);(246.9918,7.49);(246.9918,7.49);(256.97615,8.94);(258.9918,60.39);(258.9918,60.39);(258.9918,60.39);(258.9918,60.39);(258.9918,60.39);(258.9918,60.39);(258.9918,60.39);(261.00745,35.05);(261.00745,35.05);(261.00745,35.05);(261.00745,35.05);(261.00745,35.05);(261.00745,35.05);(261.00745,35.05);(280.97615,7.87);(299.0231,13.24);(299.0231,13.24);(299.0231,13.24);(299.0231,13.24);(309.00745,9.08);(309.00745,9.08);(309.00745,9.08);(309.00745,9.08);(309.00745,9.08);(310.98671,7.74);(311.0231,7.17);(311.0231,7.17);(311.0231,7.17);(311.0231,7.17);(313.03875,14.55);(313.03875,14.55);(313.03875,14.55);(313.03875,14.55);(323.0231,21.49);(323.0231,21.49);(323.0231,21.49);(323.0231,21.49);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(327.01801,6.57);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(341.03366,16.02);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(351.01801,60.26);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0);(369.02858,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (51.02402,13.45);(80.96519,32.73);(93.03459,16.76);(96.9601,38.35);(109.0295,17.52);(109.0295,17.52);(109.0295,17.52);(109.0295,17.52);(109.0295,17.52);(109.0295,17.52);(121.0295,28.1);(121.0295,28.1);(121.0295,28.1);(123.04515,12.88);(123.04515,12.88);(133.0295,12.74);(135.04515,10.96);(137.02442,13.36);(137.02442,13.36);(137.02442,13.36);(137.02442,13.36);(137.02442,13.36);(203.00197,16.17);(204.98123,17.71);(216.98123,100.0);(218.99688,13.96);(218.99688,13.96);(218.99688,13.96);(218.99688,13.96);(219.06628,14.81);(242.99688,14.22);(242.99688,14.22);(254.99688,10.55);(261.00745,10.53);(261.00745,10.53);(261.00745,10.53);(261.00745,10.53);(261.00745,10.53);(261.00745,10.53);(261.00745,10.53);(269.01253,11.1);(280.97615,39.42);(282.9918,35.95);(282.9918,35.95);(282.9918,35.95);(285.00745,38.35);(285.00745,38.35);(285.00745,38.35);(285.00745,38.35);(285.00745,38.35);(297.00745,14.91);(297.00745,14.91);(297.00745,14.91);(297.00745,14.91);(309.00745,12.58);(309.00745,12.58);(309.00745,12.58);(309.00745,12.58);(309.00745,12.58);(311.0231,35.48);(311.0231,35.48);(311.0231,35.48);(311.0231,35.48);(323.0231,28.09);(323.0231,28.09);(323.0231,28.09);(323.0231,28.09);(325.00236,10.57);(325.00236,10.57);(325.00236,10.57);(325.00236,10.57);(325.00236,10.57);(325.00236,10.57);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(327.01801,12.88);(339.01801,16.27);(339.01801,16.27);(339.01801,16.27);(339.01801,16.27);(339.01801,16.27);(339.01801,16.27);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4);(351.01801,20.4) 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