| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
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| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,5.730783802);(43.05422362,2.621144221);(55.05422362,3.065666297);(67.05422362,1.692131553);(69.06987282,2.965919534);(80.97360492,2.187351447);(95.96069442,1.548664992);(96.96851902,18.26588856);(97.97634362,3.916238741);(98.98416822,6.524986526);(109.1011712,2.964776321);(110.9841682,2.226709177);(111.1168204,1.817710679);(121.1011712,1.604342022);(122.9841682,1.968720523);(123.1168204,2.198710903);(124.9998174,1.667492804);(135.1168204,4.278631958);(137.1324696,2.435324948);(148.9998174,1.720680755);(151.0154666,1.55008429);(165.0311158,1.902172483);(177.163768,2.029550057);(205.1950664,4.18586818);(217.0624142,1.484251536);(219.0780634,2.297405465);(231.0780634,2.735807927);(233.0937126,2.434758826);(259.1093618,1.459532927);(286.1328356,1.508632615);(287.1406602,7.010059932) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (69.07042529,1.488610789);(83.08607535,1.018918506);(98.98472024,3.52508157);(107.0860754,1.14307025);(109.1017254,2.126856586);(111.1173755,1.608477486);(121.1017254,0.8822279406);(123.1173755,1.689604359);(125.0003703,0.7628456496);(135.1173755,1.101382103);(137.1330255,1.39456663);(151.1486756,0.7718250159);(163.1486756,0.8311211118);(165.0316704,0.9563345734);(175.1486756,1.365480173);(177.1643257,4.850471163);(179.0473205,0.8857387767);(179.1799757,4.053347423);(181.1956258,0.7771925552);(191.0473205,0.9210725711);(191.1799757,1.761574662);(193.0629706,0.874370967);(203.1799757,5.776031157);(205.1956258,21.48982579);(223.2061905,1.348950826);(233.0942707,0.8893004637);(247.1099207,0.8863139035);(259.1099208,2.711520778);(261.1255708,2.640351783);(285.1619563,3.318638831);(303.172521,26.14889561) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (51.0234751,2.513858039);(53.03912516,1.676416845);(55.05477522,0.9666103696);(67.05477522,2.354035324);(69.07042529,3.931276957);(79.05477522,2.706044862);(80.97415555,2.118604214);(81.07042529,3.518284684);(83.08607535,2.390001205);(95.08607535,1.496123791);(98.98472024,7.536637058);(107.0860754,3.661873244);(109.1017254,2.313973703);(111.1173755,1.088027186);(119.0860754,2.270825408);(121.1017254,3.12390345);(123.1173755,4.214018711);(133.1017254,3.815741264);(135.1173755,3.236859418);(137.1330255,2.664284275);(147.1173755,3.370727492);(149.1330255,3.045211271);(151.1486756,1.74929231);(163.1486756,1.266361453);(175.1486756,1.653716885);(177.1643257,2.193420423);(189.1643257,1.583519618);(191.1799757,1.118688193);(203.1799757,4.538611121);(205.1956258,20.52135235);(303.172521,1.361698872) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,1.893971371);(51.0234751,5.930653035);(53.03912516,7.861210571);(55.05477522,3.623526835);(67.05477522,10.50841697);(69.07042529,6.951738887);(79.05477522,2.49807633);(80.97415555,0.9147886578);(81.07042529,3.046236605);(83.08607535,1.842225402);(93.07042529,2.424437396);(95.08607535,1.929104809);(98.98472024,1.688415662);(105.0704253,1.565850246);(107.0860754,5.015568022);(109.1017254,3.636658815);(111.1173755,1.785026107);(119.0860754,2.546210271);(121.1017254,6.269861937);(123.1173755,4.979017508);(133.1017254,3.192473837);(135.1173755,3.77076524);(137.1330255,1.392704972);(147.1173755,3.106841236);(149.1330255,2.286326497);(151.1486756,1.409654092);(175.1486756,1.77365865);(177.1643257,0.9286061234);(189.1643257,1.297866496);(205.1956258,2.411454563);(287.1412209,1.51865286) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (64.97924093,0.0622146999);(66.994891,0.0293000233);(78.95850549,27.92581073);(80.97415555,1.261862655);(82.98980562,1.181065832);(96.96907017,15.04511729);(98.98472024,0.5164090937);(109.1017254,0.17666532);(110.9847202,0.2692729544);(120.9690702,0.0325412101);(122.9847202,0.1490437673);(125.0003703,0.0839222008);(175.1486756,0.2470050064);(177.1643257,0.3740703178);(179.1799757,0.2145134639);(187.1486756,0.0500369352);(189.1643257,0.1776403759);(191.1799757,0.0892977604);(201.1643257,0.1789283802);(203.1799757,0.4227861203);(219.1748904,0.0670703793);(221.1905404,0.9810585853);(259.1099208,0.1965043324);(261.1255708,0.2594754749);(283.1463063,2.383820968);(285.1255708,0.0808471565);(301.1568709,47.54371896) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (64.97924093,0.9094700166);(66.994891,0.2548903458);(78.95850549,72.39491343);(80.97415555,2.931943715);(82.98980562,1.087079406);(96.96907017,11.73055753);(98.98472024,0.4520800054);(109.1017254,0.0677583269);(110.9847202,0.0666833741);(120.9690702,0.1179713632);(122.9847202,0.1578305737);(125.0003703,0.1062183425);(175.1486756,0.1155845079);(177.1643257,0.2947455252);(179.1799757,0.279756717);(187.1486756,0.2546562248);(189.1643257,1.183255832);(191.1799757,0.3172428168);(201.1643257,0.2901157403);(203.1799757,0.2969783165);(219.1748904,0.1267303952);(221.1905404,0.9312142955);(259.1099208,0.1528753083);(261.1255708,0.1596850137);(283.1463063,1.400748631);(285.1255708,0.0569195432);(301.1568709,3.862094706) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (64.97924093,0.6767179398);(66.994891,0.0383264041);(78.95850549,87.75414992);(80.97415555,2.023374759);(82.98980562,0.9089307108);(96.96907017,6.791057941);(98.98472024,0.4286927865);(109.1017254,0.034308455);(110.9847202,0.0218324022);(120.9690702,0.0005823361);(122.9847202,0.0012539393);(125.0003703,0.000476613);(175.1486756,0.059338961);(177.1643257,0.1203353977);(179.1799757,0.1302529469);(187.1486756,0.2099810325);(189.1643257,0.2374124185);(191.1799757,0.1367630462);(201.1643257,0.0281173354);(203.1799757,0.0774772613);(219.1748904,0.0117040231);(221.1905404,0.1713003012);(259.1099208,0.0002374392);(261.1255708,0.0001494728);(283.1463063,0.0271821143);(285.1255708,0.1086972561);(301.1568709,0.0013467879) |
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