| 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 | (122.0362272,1.640374132);(123.0440518,1.782008113);(124.0518764,1.674806611);(136.0518764,2.415625828);(137.059701,5.623915608);(152.0467905,1.254841963);(153.0546151,1.330123908);(165.0546151,0.9380563375);(216.980129,0.8078314431);(217.9879536,1.730265042);(220.0036028,0.7320100357);(230.9957782,1.77606178);(232.0036028,1.282805085);(288.0992155,0.7940201461);(299.0550066,0.7368786954);(301.0706558,1.213219197);(302.0784804,0.8705632286);(303.086305,1.400157393);(304.0941296,1.722448557);(340.0247294,1.757164822);(341.032554,0.8450067143);(342.0403786,1.095175631);(352.0247294,0.9961571418);(353.032554,1.168342664);(354.0403786,2.862687794);(355.0482032,1.677129332);(356.0560278,1.432685332);(366.0403786,3.008020698);(367.0482032,2.573916663);(369.0274681,1.237289325);(384.0509419,1.074422362) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (80.96463989,0.961360115);(98.97520458,0.5410319981);(123.0446045,1.638809962);(125.0602545,1.056921504);(153.0551691,2.338993007);(183.0657338,0.2994310984);(187.0065047,0.3611421126);(195.0657338,0.6130764157);(197.0813839,1.655165768);(203.0014193,5.17951961);(205.0170694,1.154919765);(212.9857693,0.3171262273);(215.0014193,0.2395938121);(218.9963339,14.8096325);(221.011984,0.6993627837);(228.9806839,0.3580167788);(230.9963339,0.4124025224);(233.011984,0.3550300135);(269.0813839,0.6610949868);(285.0762985,2.242557567);(287.0919486,4.031595182);(305.1025133,0.5838970676);(349.0381988,1.143685129);(349.0381988,0.3077691948);(353.0331134,0.7356001928);(355.0487634,0.6271063706);(367.0487634,1.103586565);(367.0487634,15.47825171);(369.028028,0.2690912939);(369.028028,0.4242547061);(385.0593281,39.39997405) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (80.96463989,4.012360453);(107.0496898,0.563838936);(109.0289544,1.324033222);(123.0446045,5.245813782);(125.0602545,1.869125507);(139.0395191,9.265345307);(139.0759046,0.5812282184);(153.0551691,5.769423842);(172.9908546,0.7088612784);(187.0065047,1.038008233);(188.9857693,1.38270151);(197.0813839,0.9319476028);(203.0014193,4.660701879);(212.9857693,0.4930769229);(215.0014193,0.6689098234);(218.9963339,20.5886004);(269.0813839,1.611518569);(275.0919486,1.303708283);(285.0762985,1.017006148);(287.0919486,5.603379632);(287.0919486,5.37627619);(289.0712131,0.6531458109);(301.0712131,0.7175311968);(303.0868632,0.8064503457);(305.1025133,5.917462316);(337.0381988,0.9549004121);(349.0381988,2.549336704);(355.0487634,0.5400998927);(355.0487634,0.7309150227);(367.0487634,8.355473716);(385.0593281,4.758818844) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,2.399425754);(53.03912516,2.334834072);(55.01838972,1.581875725);(80.96463989,3.057522141);(81.03403978,2.250653843);(93.03403978,4.297754924);(107.0496898,4.968110782);(109.0289544,1.946065663);(122.9752046,0.9423560291);(123.0446045,15.54406725);(125.0602545,2.055151192);(133.0289544,2.001940085);(135.0446045,0.8533284469);(137.023869,0.8564688916);(139.0395191,1.671396382);(139.0759046,2.381297305);(153.0551691,4.299627264);(174.9701192,2.721582091);(176.9857693,2.264501884);(179.0708192,0.8868774872);(187.0065047,2.963524798);(203.0014193,18.14051136);(205.0170694,2.01228836);(212.9857693,2.213550487);(215.0014193,3.175202971);(218.9963339,3.193318384);(228.9806839,4.541501836);(244.9755985,0.9630654622);(269.0813839,1.28568734);(285.0762985,0.9662669952);(349.0381988,1.230244792) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (31.01838972,0.2155684757);(55.01838972,0.2008154122);(80.96463989,0.9140142387);(82.98028996,0.7820061199);(96.95955451,1.176996192);(107.0133043,0.3176164861);(123.0446045,2.908322059);(151.0395191,0.8578453886);(165.0551691,0.9589872901);(181.0500838,1.32573611);(186.9701192,1.076456098);(195.0657338,0.7863845105);(200.9857693,1.380599204);(216.9806839,5.045020186);(218.9963339,1.352664296);(258.9912486,0.931946621);(261.0068986,0.637796363);(283.0606485,0.4241686756);(285.0762985,1.201253048);(285.0762985,0.8234207007);(287.0555631,0.2996133692);(299.0555631,0.4357136942);(301.0712131,0.2757699029);(303.0868632,3.595731163);(341.0331134,0.4122157595);(351.0174633,0.322683227);(353.0331134,1.509098787);(357.028028,0.2941351488);(365.0331134,7.033210296);(367.0123779,0.7895264537);(383.0436781,61.71468472) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (80.96463989,1.106057415);(96.95955451,1.225714011);(107.0133043,2.715719076);(121.0289544,1.400461307);(123.0446045,2.853070998);(137.023869,4.503591074);(147.0446045,1.362058746);(149.023869,0.8891571448);(151.0395191,2.589883335);(163.0395191,2.138760809);(165.0551691,13.15854541);(179.0344337,1.002299587);(186.9701192,1.990996041);(200.9857693,0.7491066769);(216.9806839,8.068215701);(258.9912486,0.935547053);(261.0762985,1.661138476);(271.0606485,1.109116332);(273.0762985,0.7058555974);(285.0762985,1.494498901);(285.0762985,4.330540256);(287.0555631,7.669146441);(299.0555631,2.05962681);(301.0712131,2.612073696);(303.0868632,13.54496426);(339.0174633,0.7196053635);(341.0331134,1.126882881);(353.0331134,0.8001223631);(365.0331134,3.479049477);(367.0123779,3.069778687);(383.0436781,8.928416074) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,0.9154339947);(64.96972527,1.376142294);(80.96463989,8.353664104);(82.98028996,1.104451352);(107.0133043,20.71769163);(121.0289544,8.700191045);(123.0446045,4.783816848);(135.008219,0.9336632876);(137.023869,6.814776579);(149.023869,0.8410846819);(151.0395191,3.344171002);(165.0551691,2.319392225);(170.9752046,1.171288641);(179.0344337,4.472554222);(181.0500838,1.032055845);(186.9701192,4.989024255);(188.9857693,0.7831984597);(195.0657338,0.8037462694);(200.9857693,1.991351554);(216.9806839,1.484154798);(231.0657338,0.9739920028);(242.9963339,1.061030638);(261.0762985,2.710239756);(271.0606485,1.796161049);(273.0762985,0.8701724734);(285.0762985,0.8180747397);(285.0762985,1.828958346);(287.0555631,8.776571893);(303.0868632,1.874505043);(325.0018132,1.099044807);(365.0331134,1.259396164) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (245.01144,5.0);(245.01144,5.0);(261.00635,23.77);(261.00635,23.77);(261.00635,23.77);(261.00635,23.77);(261.00635,23.77);(261.00635,23.77);(287.0914,6.22);(287.0914,6.22);(287.0914,6.22);(287.0914,6.22);(287.0914,6.22);(287.0914,6.22);(287.0914,6.22);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(303.08631,8.85);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(355.04821,6.55);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(367.04821,41.33);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0);(385.05878,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (123.04406,20.8);(123.04406,20.8);(123.04406,20.8);(123.04406,20.8);(137.02332,56.16);(137.02332,56.16);(137.05971,66.35);(137.05971,66.35);(137.05971,66.35);(137.05971,66.35);(137.05971,66.35);(139.03897,100.0);(139.03897,100.0);(139.07536,21.92);(139.07536,21.92);(139.07536,21.92);(139.07536,21.92);(139.07536,21.92);(163.03897,12.41);(163.03897,12.41);(163.03897,12.41);(165.05462,21.5);(165.05462,21.5);(165.05462,21.5);(165.05462,21.5);(167.03389,14.12);(167.07027,20.06);(167.07027,20.06);(167.07027,20.06);(167.07027,20.06);(169.04954,20.36);(181.04954,11.36);(216.98014,34.54);(216.98014,34.54);(216.98014,34.54);(216.98014,34.54);(216.98014,34.54);(218.99579,76.55);(218.99579,76.55);(218.99579,76.55);(218.99579,76.55);(221.01144,24.19);(221.01144,24.19);(221.01144,24.19);(221.01144,24.19);(221.01144,24.19);(221.01144,24.19);(221.01144,24.19);(230.99579,27.26);(230.99579,27.26);(246.9907,26.34);(249.00635,45.39);(249.00635,45.39);(249.00635,45.39);(249.00635,45.39);(275.0914,13.9);(275.0914,13.9);(275.0914,13.9);(275.0914,13.9);(275.0914,13.9);(275.0914,13.9);(275.0914,13.9);(287.0914,10.97);(287.0914,10.97);(287.0914,10.97);(287.0914,10.97);(287.0914,10.97);(287.0914,10.97);(287.0914,10.97);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(303.08631,38.23);(305.10196,28.49);(305.10196,28.49);(305.10196,28.49);(305.10196,28.49);(305.10196,28.49);(305.10196,28.49);(305.10196,28.49);(313.03765,14.89);(313.03765,14.89);(313.03765,14.89);(313.03765,14.89);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(355.04821,10.96);(357.06386,10.71);(357.06386,10.71);(357.06386,10.71);(357.06386,10.71);(357.06386,10.71);(357.06386,10.71);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(367.04821,43.08);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94);(385.05878,79.94) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.02293,20.88);(64.96918,15.04);(65.03858,35.3);(67.05423,9.49);(81.03349,10.38);(93.03349,18.99);(93.03349,18.99);(95.04914,11.48);(95.04914,11.48);(95.04914,11.48);(107.04914,11.91);(107.04914,11.91);(121.02841,10.29);(123.04406,43.55);(123.04406,43.55);(123.04406,43.55);(123.04406,43.55);(137.02332,9.83);(137.02332,9.83);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(139.03897,30.86);(139.03897,30.86);(139.07536,22.54);(139.07536,22.54);(139.07536,22.54);(139.07536,22.54);(139.07536,22.54);(143.10666,12.58);(143.10666,12.58);(149.02332,15.56);(153.05462,23.43);(153.05462,23.43);(153.05462,23.43);(153.05462,23.43);(163.03897,19.65);(163.03897,19.65);(163.03897,19.65);(165.05462,10.47);(165.05462,10.47);(165.05462,10.47);(165.05462,10.47);(211.03897,17.78);(213.05462,10.94);(218.99579,13.66);(218.99579,13.66);(218.99579,13.66);(218.99579,13.66);(249.00635,23.29);(249.00635,23.29);(249.00635,23.29);(249.00635,23.29);(255.06519,15.75);(255.06519,15.75);(275.0914,16.77);(275.0914,16.77);(275.0914,16.77);(275.0914,16.77);(275.0914,16.77);(275.0914,16.77);(275.0914,16.77);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(283.0601,25.12);(287.0914,12.55);(287.0914,12.55);(287.0914,12.55);(287.0914,12.55);(287.0914,12.55);(287.0914,12.55);(287.0914,12.55);(311.022,11.42);(311.022,11.42);(313.03765,22.81);(313.03765,22.81);(313.03765,22.81);(313.03765,22.81);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53);(367.04821,31.53) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(365.03366,8.97);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0);(383.04423,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (80.96519,25.31);(96.9601,18.76);(107.01385,11.13);(121.0295,9.93);(121.0295,9.93);(137.0608,19.14);(137.0608,19.14);(149.0608,10.52);(163.04007,14.67);(165.05572,32.44);(216.98123,22.22);(218.99688,10.98);(242.9605,8.75);(242.99688,20.34);(242.99688,20.34);(244.97615,14.91);(244.97615,14.91);(258.9918,29.8);(258.9918,29.8);(258.9918,29.8);(258.9918,29.8);(258.9918,29.8);(258.9918,29.8);(261.00745,19.1);(261.00745,19.1);(261.00745,19.1);(261.00745,19.1);(261.00745,19.1);(261.00745,19.1);(261.00745,19.1);(335.0231,11.0);(335.0231,11.0);(337.03875,12.05);(337.03875,12.05);(337.03875,12.05);(349.00236,16.6);(351.01801,8.36);(351.01801,8.36);(351.01801,8.36);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(365.03366,100.0);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(367.01293,16.49);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77);(383.04423,98.77) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (56.9982,13.0);(80.96519,19.26);(93.03459,14.83);(96.9601,26.76);(107.01385,74.6);(109.0295,19.69);(109.0295,19.69);(121.0295,32.98);(121.0295,32.98);(151.04007,20.02);(151.04007,20.02);(163.04007,14.62);(203.00197,37.95);(205.01762,17.89);(216.98123,100.0);(218.99688,43.0);(221.01253,12.55);(230.99688,14.08);(233.08193,21.9);(242.99688,12.87);(242.99688,12.87);(256.97615,23.61);(258.9918,19.3);(258.9918,19.3);(258.9918,19.3);(258.9918,19.3);(258.9918,19.3);(258.9918,19.3);(261.00745,28.25);(261.00745,28.25);(261.00745,28.25);(261.00745,28.25);(261.00745,28.25);(261.00745,28.25);(261.00745,28.25);(266.99688,13.88);(280.97615,36.05);(282.9918,40.24);(282.9918,40.24);(282.9918,40.24);(285.00745,46.74);(285.00745,46.74);(285.00745,46.74);(285.00745,46.74);(285.00745,46.74);(285.00745,46.74);(311.0231,28.77);(311.0231,28.77);(311.0231,28.77);(311.0231,28.77);(311.0231,28.77);(311.0231,28.77);(311.0231,28.77);(339.01801,14.77);(339.01801,14.77);(339.01801,14.77);(339.01801,14.77);(339.01801,14.77);(339.01801,14.77);(339.01801,14.77);(341.03366,13.58);(341.03366,13.58);(341.03366,13.58);(341.03366,13.58);(341.03366,13.58);(341.03366,13.58);(349.00236,21.11);(353.03366,15.27);(353.03366,15.27);(353.03366,15.27);(353.03366,15.27);(353.03366,15.27);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22);(367.01293,13.22) |
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