| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
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| | | | | | |
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| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.98927962,1.907920411);(44.99710422,8.738141417);(59.01275342,2.631297537);(74.02365122,1.61230004);(147.0440518,1.900475186);(148.0518764,2.895320217);(149.059701,3.277834887);(150.0675256,2.615121689);(151.0753502,1.640263286);(163.0389659,2.096412419);(166.0498637,1.639788177);(175.0389659,2.435039526);(176.0467905,3.387676081);(177.0546151,16.73883628);(178.0580135,1.915158548);(178.0624397,6.195798589);(179.0702643,8.84379248);(192.0655129,2.298167035);(205.0733375,1.547594081);(206.0811621,3.449435607);(207.0889867,1.46395554);(219.0526024,1.627600351);(220.060427,1.546276044);(221.0682516,2.502795014);(222.0760762,1.508882061);(223.0839008,1.582126453);(233.0682516,3.40663622);(234.0760762,3.515769797);(235.0475165,1.5729222);(236.0553411,1.62728324);(251.0788149,1.879379588) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (30.03382302,0.8541436659);(73.04679982,9.330917954);(74.04796012,0.7984115311);(74.05462442,0.714898236);(75.02606472,4.661653384);(89.04171392,5.073486596);(90.04953852,1.228840193);(91.05736312,1.075886593);(115.0573631,1.030744258);(117.036628,0.8729075495);(146.063175,0.6485477496);(208.0914002,0.7022778111);(219.0835756,1.064135408);(220.0914002,0.6964800166);(221.0992248,1.559168073);(226.0893875,0.7923426791);(248.1101226,0.6735218146);(249.0941389,2.146694859);(252.1050367,0.8159102359);(264.1050367,1.140680603);(278.1206859,2.638126425);(306.1156,2.105735377);(322.1105141,2.013795857);(323.1183387,2.030992992);(324.1261633,1.103878559);(350.1238254,0.8699595932);(378.1551238,0.7110475255);(379.1265641,0.9086006418);(380.1343887,6.815211373);(381.136436,2.051492577);(382.1344872,0.81167162) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (30.03382302,1.938793048);(43.98927962,0.9013328915);(44.99710422,5.077218863);(58.00492882,0.9199001891);(59.01275342,1.352057826);(74.02365122,0.836752841);(121.0284026,0.7380071269);(123.0440518,1.013177854);(133.0284026,0.7814330685);(135.0440518,0.8615644222);(136.0518764,0.9985803784);(147.0440518,2.43400829);(148.0518764,1.415583065);(149.059701,4.226245705);(150.0675256,1.298364506);(161.0233167,0.837686684);(175.0389659,1.822945791);(176.0467905,1.926430404);(177.0546151,6.537032119);(178.0580135,0.7479285136);(178.0624397,1.669403663);(189.0420391,0.7126159188);(191.0576883,0.7137281897);(192.0655129,1.111105372);(205.0733375,1.145934572);(206.0811621,3.761620567);(207.0889867,1.629565078);(233.0682516,2.161222523);(234.0760762,2.185498025);(236.0553411,1.378688541);(251.0788149,1.732112803) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (28.01872406,4.426538099);(30.03437413,0.543299417);(44.99765427,0.3871532678);(56.01363868,0.5019123116);(58.02928875,1.169174187);(72.0085533,4.424164985);(74.02420337,33.96176738);(76.03985343,5.758823625);(78.0555035,0.2693339786);(102.019118,0.6354581879);(116.0347681,0.4948923869);(125.0602545,0.3739899967);(126.019118,0.2217233523);(128.0347681,0.6752631765);(137.0602545,0.4849267455);(149.0602545,2.836566924);(151.0759046,0.2565636193);(161.0602545,0.2488175388);(175.0395191,1.398542893);(177.0551691,1.631578439);(179.0708192,0.9719681844);(181.0864693,0.17908691);(188.0711536,0.2814372941);(204.0660682,0.2899922731);(206.0817182,7.328378757);(208.0973683,1.005837695);(216.0660682,0.2104305923);(220.0609828,0.5609618768);(222.0766329,0.4165794458);(234.0766329,5.281792629);(252.0871975,22.77304383) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (28.01872406,22.6328818);(30.03437413,2.356927298);(44.99765427,0.2861151525);(56.01363868,2.907962135);(58.02928875,1.985707623);(72.0085533,0.5434410817);(74.02420337,39.68900256);(76.03985343,1.957907767);(82.02928875,0.3915514135);(102.019118,0.5619711469);(119.0496898,0.4805865292);(125.0602545,0.2851801786);(128.0347681,0.3269696248);(137.0602545,0.7087667606);(145.0289544,0.7430648787);(149.0602545,4.821077254);(151.0759046,0.360845342);(161.0602545,0.60082899);(174.0555035,0.4637903286);(175.0395191,0.7163380543);(176.0711536,0.6125065059);(177.0551691,4.514845261);(179.0708192,1.166199135);(181.0864693,0.4580029613);(188.0711536,0.4973395554);(192.0660682,0.302956575);(206.0817182,4.985203064);(208.0973683,0.8992912015);(222.0766329,0.3351427349);(234.0766329,1.587022383);(252.0871975,1.8205747) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (19.01838972,0.2744900105);(28.01872406,26.53058929);(30.03437413,4.956988392);(44.99765427,2.033680381);(51.0234751,1.340957751);(55.01838972,0.4194280089);(56.01363868,6.838315424);(58.02928875,3.509241729);(61.0289544,0.2724275164);(72.0085533,4.001976135);(74.02420337,27.08171319);(76.03985343,0.9321980889);(77.03912516,1.442408206);(78.0555035,0.2998488291);(79.01838972,0.335526687);(82.02928875,0.3929117639);(102.019118,0.2739635641);(107.0496898,1.572570854);(119.0496898,2.328557284);(133.0289544,1.872630715);(135.0446045,1.072528653);(137.0602545,2.215100124);(149.0602545,5.693159837);(151.0759046,0.3285129967);(161.0602545,0.7951110179);(175.0395191,1.130086473);(177.0551691,0.3649270886);(179.0708192,0.3705511591);(188.0711536,0.6757181014);(192.0660682,0.3491821061);(204.0660682,0.2946986264) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2550933053);(28.01872406,0.1393645983);(31.01838972,0.2102172924);(44.99765427,0.5907625917);(55.01838972,0.2074796022);(56.01363868,0.6914485096);(59.01330434,0.3241352833);(69.99290324,0.1881325318);(72.0085533,0.9361722206);(74.02420337,3.102383656);(76.03985343,0.2203925535);(97.0289544,0.14633838);(100.0034679,0.8110384553);(102.019118,0.5658994896);(114.019118,0.4271002739);(135.0446045,0.7562813948);(147.0446045,0.1507761254);(149.0602545,1.050697271);(175.0395191,0.5478615788);(177.0551691,4.840879747);(179.0708192,1.828213744);(188.0711536,1.713975348);(190.0504181,1.159916306);(202.0504181,0.1525496484);(204.0660682,1.283767597);(206.0817182,9.603595526);(218.0453327,0.3115485891);(220.0609828,0.3005540089);(232.0609828,7.046354236);(234.0402474,0.7742917474);(250.0715475,59.66277839) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.99798862,0.7659458689);(44.99765427,0.5692722864);(56.01363868,2.838756269);(59.01330434,0.6318708559);(69.99290324,1.013290105);(72.0085533,2.259440716);(74.02420337,11.73490819);(76.03985343,0.8063768908);(100.0034679,3.272532492);(102.019118,0.9453929319);(114.019118,2.596241326);(133.0289544,1.214593015);(135.0446045,2.380383884);(147.0446045,0.5750280723);(149.0602545,2.114662278);(174.0555035,0.6236065975);(175.0395191,3.757104819);(176.0347681,0.6553049571);(177.0551691,4.744763512);(179.0708192,0.8550360235);(188.0711536,2.391552918);(190.0504181,5.203993751);(202.0504181,1.279888128);(204.0660682,1.785274724);(206.0817182,6.922202601);(208.0609828,0.8490145077);(218.0453327,1.123029756);(220.0609828,0.8739842763);(232.0609828,7.972821194);(234.0402474,4.986303051);(250.0715475,22.257424) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (26.003074,1.5217554);(41.00273965,4.827746534);(41.99798862,5.190614028);(44.99765427,2.385748417);(53.99798862,1.684677648);(55.01838972,1.1850368);(56.01363868,8.483496799);(59.01330434,2.176652591);(69.99290324,3.678163883);(70.02928875,1.323026801);(72.0085533,15.34516752);(74.02420337,11.92091699);(76.03985343,0.9653975349);(96.0085533,1.345541698);(100.0034679,3.681694539);(102.019118,1.702476199);(105.0340398,2.048938125);(114.019118,2.688018496);(117.0340398,1.116616259);(133.0289544,5.716431928);(135.0446045,2.693260409);(145.0289544,1.208484259);(147.0446045,1.733170104);(161.023869,2.78072622);(163.0395191,1.93395495);(175.0395191,2.809928283);(177.0551691,2.028353483);(190.0504181,2.138565372);(192.0296827,1.153896841);(232.0609828,1.165610237);(234.0402474,1.365931656) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (74.02475,31.56);(149.0608,65.23);(149.0608,65.23);(149.0608,65.23);(149.0608,65.23);(190.05097,31.39);(190.05097,31.39);(206.08227,100.0);(206.08227,100.0);(206.08227,100.0);(206.08227,100.0);(206.08227,100.0);(250.0721,74.09);(250.0721,74.09);(250.0721,74.09);(250.0721,74.09);(250.0721,74.09);(250.0721,74.09);(250.0721,74.09) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (56.01419,6.52);(56.01419,6.52);(70.02984,17.25);(74.02475,25.53);(98.02475,7.04);(98.02475,7.04);(133.0295,100.0);(135.04515,35.47);(135.04515,35.47);(135.04515,35.47);(135.04515,35.47);(135.04515,35.47);(147.04515,8.45);(147.04515,8.45);(147.04515,8.45);(149.0608,19.23);(149.0608,19.23);(149.0608,19.23);(149.0608,19.23);(161.02442,5.1);(175.04007,4.69);(175.04007,4.69);(190.05097,23.7);(190.05097,23.7);(206.08227,6.22);(206.08227,6.22);(206.08227,6.22);(206.08227,6.22);(206.08227,6.22);(246.0408,4.4);(250.0721,4.78);(250.0721,4.78);(250.0721,4.78);(250.0721,4.78);(250.0721,4.78);(250.0721,4.78);(250.0721,4.78) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (56.01419,10.53);(56.01419,10.53);(74.02475,34.03);(105.03459,3.6);(105.03459,3.6);(119.05024,6.97);(119.05024,6.97);(121.06589,3.22);(121.06589,3.22);(131.01385,7.86);(133.0295,100.0);(135.04515,51.99);(135.04515,51.99);(135.04515,51.99);(135.04515,51.99);(135.04515,51.99);(147.04515,22.97);(147.04515,22.97);(147.04515,22.97);(149.0608,13.69);(149.0608,13.69);(149.0608,13.69);(149.0608,13.69);(161.02442,4.96);(190.05097,2.7);(190.05097,2.7) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (76.0393,11.25);(145.02841,12.11);(145.02841,12.11);(147.04406,8.83);(147.04406,8.83);(147.04406,8.83);(147.04406,8.83);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(206.08117,10.73);(206.08117,10.73);(206.08117,10.73);(206.08117,10.73);(206.08117,10.73);(220.06043,9.76);(220.06043,9.76);(234.07608,43.85);(234.07608,43.85);(234.07608,43.85);(234.07608,43.85);(234.07608,43.85);(252.08665,59.59);(252.08665,59.59);(252.08665,59.59);(252.08665,59.59);(252.08665,59.59);(252.08665,59.59);(252.08665,59.59) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (58.02874,27.03);(58.02874,27.03);(59.01276,10.96);(74.02365,8.13);(76.0393,34.37);(82.02874,10.18);(117.03349,28.42);(117.03349,28.42);(119.04914,24.32);(119.04914,24.32);(133.06479,9.79);(135.04406,21.87);(135.04406,21.87);(135.04406,21.87);(135.04406,21.87);(135.04406,21.87);(137.05971,13.84);(137.05971,13.84);(137.05971,13.84);(137.05971,13.84);(137.05971,13.84);(145.02841,72.76);(145.02841,72.76);(147.04406,55.98);(147.04406,55.98);(147.04406,55.98);(147.04406,55.98);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(149.05971,70.19);(151.07536,15.38);(151.07536,15.38);(151.07536,15.38);(151.07536,15.38);(159.04406,13.17);(159.04406,13.17);(161.05971,12.2);(161.05971,12.2);(172.0393,11.39);(172.0393,11.39);(174.05495,26.25);(176.0706,12.86);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(202.04987,21.81);(202.04987,21.81);(206.08117,25.83);(206.08117,25.83);(206.08117,25.83);(206.08117,25.83);(206.08117,25.83);(234.07608,17.58);(234.07608,17.58);(234.07608,17.58);(234.07608,17.58);(234.07608,17.58);(252.08665,18.29);(252.08665,18.29);(252.08665,18.29);(252.08665,18.29);(252.08665,18.29);(252.08665,18.29);(252.08665,18.29) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (30.03383,24.2);(58.02874,28.23);(58.02874,28.23);(60.04439,28.2);(63.02293,17.27);(65.03858,23.04);(65.03858,23.04);(75.02293,13.77);(77.03858,100.0);(79.05423,79.35);(93.03349,7.87);(105.03349,32.15);(105.03349,32.15);(105.03349,32.15);(107.04914,16.26);(107.04914,16.26);(107.04914,16.26);(117.03349,54.5);(117.03349,54.5);(119.04914,17.46);(119.04914,17.46);(121.06479,33.64);(121.06479,33.64);(123.04406,13.01);(123.04406,13.01);(123.04406,13.01);(125.05971,9.47);(125.05971,9.47);(125.05971,9.47);(125.05971,9.47);(131.04914,10.48);(133.02841,11.66);(133.02841,11.66);(133.02841,11.66);(135.04406,12.35);(135.04406,12.35);(135.04406,12.35);(135.04406,12.35);(135.04406,12.35);(137.05971,15.51);(137.05971,15.51);(137.05971,15.51);(137.05971,15.51);(137.05971,15.51);(145.02841,16.97);(145.02841,16.97);(147.04406,32.96);(147.04406,32.96);(147.04406,32.96);(147.04406,32.96);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(149.05971,91.26);(151.07536,7.74);(151.07536,7.74);(151.07536,7.74);(151.07536,7.74);(166.04987,13.2);(166.04987,13.2);(177.05462,7.77);(177.05462,7.77);(177.05462,7.77);(177.05462,7.77);(177.05462,7.77);(177.05462,7.77);(177.05462,7.77);(180.06552,19.87);(180.06552,19.87);(206.04478,9.75);(206.04478,9.75);(220.06043,11.24);(220.06043,11.24);(250.071,10.32) 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