| 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 | (122.0362272,1.683376236);(123.0440518,1.829567426);(124.0518764,1.718711355);(136.0518764,2.479448504);(137.059701,5.764216033);(152.0467905,1.287737412);(153.0546151,1.362827743);(165.0546151,0.9626473101);(216.980129,0.8290085943);(217.9879536,1.777700509);(220.0036028,0.7511995428);(230.9957782,1.82262091);(232.0036028,0.8629453353);(288.0992155,0.7440146236);(299.0550066,0.7561958335);(301.0706558,1.245023513);(302.0784804,0.8933848819);(303.086305,1.440926817);(304.0941296,1.770973198);(340.0247294,1.723809724);(341.032554,0.8249834564);(342.0403786,0.9112243058);(352.0247294,1.156058523);(353.032554,1.31479941);(354.0403786,3.086280429);(355.0482032,1.804712109);(356.0560278,1.78491723);(366.0403786,3.069818323);(367.0482032,2.650109524);(369.0274681,1.348700449);(384.0509419,1.125880486) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (71.04968984,0.1899616029);(80.96463989,0.967905093);(98.97520458,0.5440470032);(123.0446045,1.632417664);(125.0602545,1.066517806);(153.0551691,2.358774938);(183.0657338,0.3019604298);(187.0065047,0.3629730434);(191.0014193,0.2544838365);(195.0657338,0.6188401949);(203.0014193,5.166414335);(205.0170694,1.16700801);(215.0014193,0.2442612995);(218.9963339,14.96901803);(221.011984,0.7636272214);(228.9806839,0.3609528274);(230.9963339,0.5006005461);(233.011984,0.3619092967);(269.0813839,0.6678944759);(285.0762985,2.25167214);(287.0919486,4.088009961);(305.1025133,0.5931992405);(349.0381988,1.148851153);(349.0381988,0.3794589414);(353.0331134,0.7426555608);(355.0487634,0.6331466377);(367.0487634,1.113893748);(367.0487634,15.69642801);(369.028028,0.2716245688);(369.028028,0.5660873118);(385.0593281,40.01540508) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (80.96463989,3.979457335);(107.0496898,0.5848266446);(123.0446045,5.270567299);(125.0602545,1.908833496);(139.0395191,9.481685312);(139.0759046,0.5925705539);(153.0551691,5.875598564);(183.0657338,0.4780851165);(187.0065047,1.072619592);(203.0014193,4.724666343);(215.0014193,0.6962621342);(218.9963339,20.93057362);(230.9963339,0.4713860753);(233.011984,0.5114184518);(269.0813839,1.668833803);(273.0762985,0.7930409355);(275.0919486,1.58844001);(285.0762985,0.6846717471);(287.0919486,6.397370843);(287.0919486,4.961776367);(289.0712131,0.6854998288);(301.0712131,0.7238233382);(303.0868632,0.8155439944);(305.1025133,6.15632963);(337.0381988,0.978833645);(349.0381988,2.638631367);(355.0487634,0.5455503665);(355.0487634,0.7418239518);(367.0487634,8.575054701);(369.028028,0.5833529181);(385.0593281,4.882872019) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,2.334915879);(53.03912516,2.16373917);(55.01838972,1.365554215);(80.96463989,2.788717437);(81.03403978,2.169009339);(93.03403978,1.227021252);(107.0496898,5.566075539);(109.0289544,1.502697188);(123.0446045,15.27082993);(125.0602545,2.163229216);(133.0289544,2.742843002);(135.0446045,0.9436305581);(139.0395191,1.852487085);(139.0759046,2.46157925);(148.9908546,2.912386345);(153.0551691,4.498318612);(160.9908546,1.895674273);(172.9908546,2.001401694);(174.9701192,1.466609674);(176.9857693,1.929103612);(187.0065047,3.608178741);(191.0014193,1.414673888);(203.0014193,17.03434206);(205.0170694,2.40951011);(215.0014193,3.60514523);(218.9963339,3.717770034);(228.9806839,4.025666485);(269.0813839,1.425793082);(287.0919486,1.015071872);(349.0381988,1.502825115);(369.028028,0.985200113) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (31.01838972,0.2185300996);(55.01838972,0.205599005);(80.96463989,0.925935273);(82.98028996,0.7947122897);(96.95955451,1.193166553);(107.0133043,0.2964596302);(123.0446045,2.935231355);(137.023869,0.2017448736);(151.0395191,0.8537093913);(165.0551691,0.9723402647);(181.0500838,1.343782539);(200.9857693,1.398883341);(216.9806839,5.110743699);(218.9963339,1.371901849);(258.9912486,0.9246615219);(261.0068986,0.6471017435);(261.0762985,0.192758362);(283.0606485,0.4156451871);(285.0762985,1.25896852);(285.0762985,0.7886322869);(287.0555631,0.3013310606);(299.0555631,0.4417127653);(301.0712131,0.2722788688);(303.0868632,3.648008532);(341.0331134,0.3169191275);(351.0174633,0.3214077339);(353.0331134,1.530582632);(357.028028,0.2981761743);(365.0331134,7.130748398);(367.0123779,0.7772468578);(383.0436781,62.91108007) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (80.96463989,1.127538223);(96.95955451,1.254435767);(107.0133043,1.063787193);(121.0289544,1.468164984);(123.0446045,2.795165375);(137.023869,4.664801755);(147.0446045,1.387963644);(149.023869,0.9012282861);(151.0395191,2.626610938);(163.0395191,2.178905573);(165.0551691,13.51718453);(179.0344337,0.9898401828);(200.9857693,0.7657276901);(216.9806839,8.314610624);(258.9912486,0.9343711866);(261.0068986,0.6266973155);(261.0762985,1.961227166);(271.0606485,1.309620794);(273.0762985,0.9080260474);(285.0762985,1.987526924);(285.0762985,4.075630095);(287.0555631,7.936622632);(299.0555631,2.108485677);(301.0712131,2.579718476);(303.0868632,14.06555265);(339.0174633,0.7364676405);(341.0331134,0.8967925317);(353.0331134,0.8305056751);(365.0331134,3.599928555);(367.0123779,3.109168239);(383.0436781,9.277693634) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,1.491032912);(64.96972527,1.750963235);(80.96463989,9.468321967);(82.98028996,1.535284963);(93.03403978,0.8848531176);(107.0133043,3.529946094);(109.0289544,1.807591189);(121.0289544,10.74203673);(123.0446045,5.339981669);(135.008219,1.118950727);(137.023869,8.264648162);(149.023869,1.013486951);(151.0395191,3.949739762);(165.0551691,2.931706462);(179.0344337,5.247076513);(181.0500838,1.314388342);(188.9857693,3.831257209);(200.9857693,2.268246504);(216.9806839,2.537340462);(231.0657338,1.181708548);(242.9963339,1.351611502);(261.0762985,2.204833379);(271.0606485,3.34064465);(273.0762985,1.421481471);(285.0762985,2.886850694);(287.0555631,11.23295485);(303.0868632,2.449175037);(325.0018132,1.318486678);(353.0331134,1.036723522);(365.0331134,1.481922515);(367.0123779,1.066754184) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (245.01144,4.67);(245.01144,4.67);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(287.0914,22.88);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(305.10196,17.94);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(355.04821,9.32);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(367.04821,29.07);(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 | (123.04406,10.12);(123.04406,10.12);(123.04406,10.12);(123.04406,10.12);(123.04406,10.12);(137.02332,30.09);(137.05971,46.63);(137.05971,46.63);(137.05971,46.63);(137.05971,46.63);(139.03897,55.49);(139.07536,13.72);(139.07536,13.72);(139.07536,13.72);(139.07536,13.72);(163.03897,16.22);(163.03897,16.22);(163.03897,16.22);(165.05462,18.82);(165.05462,18.82);(165.05462,18.82);(165.05462,18.82);(167.03389,23.54);(167.07027,31.04);(167.07027,31.04);(167.07027,31.04);(167.07027,31.04);(167.07027,31.04);(169.04954,21.01);(179.03389,15.12);(179.07027,9.08);(181.04954,14.13);(218.99579,22.27);(218.99579,22.27);(218.99579,22.27);(218.99579,22.27);(242.99579,12.88);(273.07575,11.52);(273.07575,11.52);(273.07575,11.52);(275.0914,25.25);(275.0914,25.25);(275.0914,25.25);(275.0914,25.25);(275.0914,25.25);(275.0914,25.25);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(287.0914,29.81);(301.07066,8.11);(301.07066,8.11);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(303.08631,59.7);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(305.10196,100.0);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(367.04821,16.01);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73);(385.05878,17.73) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (64.96918,18.24);(65.03858,15.7);(66.98483,8.32);(80.96409,7.94);(95.04914,7.64);(95.04914,7.64);(95.04914,7.64);(107.04914,7.76);(107.04914,7.76);(121.02841,17.8);(123.04406,26.72);(123.04406,26.72);(123.04406,26.72);(123.04406,26.72);(123.04406,26.72);(133.02841,9.94);(133.02841,9.94);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(139.03897,11.06);(139.07536,16.1);(139.07536,16.1);(139.07536,16.1);(139.07536,16.1);(143.10666,11.08);(143.10666,11.08);(143.10666,11.08);(143.10666,11.08);(143.10666,11.08);(153.05462,20.11);(153.05462,20.11);(153.05462,20.11);(153.05462,20.11);(163.03897,10.29);(163.03897,10.29);(163.03897,10.29);(167.07027,12.51);(167.07027,12.51);(167.07027,12.51);(167.07027,12.51);(167.07027,12.51);(169.04954,15.78);(181.04954,17.02);(218.99579,8.59);(218.99579,8.59);(218.99579,8.59);(218.99579,8.59);(242.9594,7.99);(245.01144,9.35);(245.01144,9.35);(249.00635,12.54);(249.00635,12.54);(249.00635,12.54);(249.00635,12.54);(261.07575,11.22);(261.07575,11.22);(261.07575,11.22);(261.07575,11.22);(275.0914,10.54);(275.0914,10.54);(275.0914,10.54);(275.0914,10.54);(275.0914,10.54);(275.0914,10.54);(285.07575,7.69);(285.07575,7.69);(285.07575,7.69);(285.07575,7.69);(285.07575,7.69);(285.07575,7.69);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(287.0914,14.79);(299.022,11.13);(299.022,11.13);(311.022,9.05);(311.022,9.05);(313.03765,11.46);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58);(367.04821,11.58) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(365.03366,12.85);(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 | (96.9601,13.87);(107.01385,8.28);(121.0295,7.98);(121.0295,7.98);(137.0608,13.61);(149.0608,10.88);(163.04007,5.84);(165.05572,12.89);(165.05572,12.89);(165.05572,12.89);(204.98123,8.85);(216.98123,44.96);(218.99688,20.36);(221.01253,6.55);(228.98123,9.61);(228.98123,9.61);(242.99688,10.94);(244.97615,9.17);(244.97615,9.17);(246.9918,9.87);(246.9918,9.87);(258.9918,10.11);(258.9918,10.11);(258.9918,10.11);(261.00745,8.75);(261.00745,8.75);(261.00745,8.75);(261.00745,8.75);(261.00745,8.75);(335.0231,8.15);(337.03875,10.02);(337.03875,10.02);(337.03875,10.02);(341.03366,8.17);(341.03366,8.17);(341.03366,8.17);(349.00236,15.37);(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);(365.03366,100.0);(365.03366,100.0);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(367.01293,18.31);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19);(383.04423,92.19) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (80.96519,89.34);(84.99649,17.75);(93.03459,19.47);(93.03459,19.47);(96.9601,91.3);(107.01385,75.5);(109.0295,23.08);(121.0295,45.07);(121.0295,45.07);(123.04515,31.11);(123.04515,31.11);(123.04515,31.11);(123.04515,31.11);(137.02442,100.0);(151.04007,25.38);(151.04007,25.38);(163.04007,27.25);(165.05572,30.89);(165.05572,30.89);(165.05572,30.89);(200.98632,15.73);(200.98632,15.73);(200.98632,15.73);(203.00197,24.61);(203.00197,24.61);(203.00197,24.61);(203.00197,24.61);(204.98123,23.93);(216.98123,35.76);(217.05063,28.11);(218.99688,39.04);(221.01253,17.98);(228.98123,14.61);(228.98123,14.61);(233.08193,22.17);(233.08193,22.17);(280.97615,14.2);(282.9918,36.42);(285.00745,68.07);(285.07685,28.61);(285.07685,28.61);(285.07685,28.61);(285.07685,28.61);(287.05611,24.55);(339.01801,14.55);(339.01801,14.55);(339.01801,14.55);(339.01801,14.55);(339.01801,14.55);(339.01801,14.55);(341.03366,25.7);(341.03366,25.7);(341.03366,25.7);(349.00236,21.83);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02);(367.01293,23.02) |
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