| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (82.0,0.7637637638);(83.0,0.0820820821);(84.0,0.005005005);(91.0,0.001001001);(92.0,0.005005005);(93.0,0.017017017);(94.0,0.0830830831);(95.0,0.026026026);(96.0,0.013013013);(97.0,0.029029029);(98.0,0.001001001);(106.0,0.003003003);(107.0,0.012012012);(108.0,0.0770770771);(109.0,1.0);(110.0,0.1301301301);(111.0,0.021021021);(112.0,0.001001001);(120.0,0.005005005);(121.0,0.004004004);(122.0,0.021021021);(123.0,0.009009009);(124.0,0.011011011);(125.0,0.001001001);(132.0,0.001001001);(133.0,0.001001001);(134.0,0.002002002);(135.0,0.007007007);(136.0,0.0630630631);(137.0,0.0850850851);(138.0,0.032032032);(139.0,0.003003003);(140.0,0.001001001);(147.0,0.001001001);(148.0,0.001001001);(149.0,0.008008008);(150.0,0.014014014);(151.0,0.004004004);(152.0,0.007007007);(163.0,0.002002002);(164.0,0.005005005);(165.0,0.0610610611);(166.0,0.013013013);(167.0,0.001001001);(179.0,0.002002002);(192.0,0.001001001);(193.0,0.1901901902);(194.0,0.8958958959);(195.0,0.0890890891);(196.0,0.007007007) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (82.0,0.5745745746);(83.0,0.0660660661);(84.0,0.004004004);(91.0,0.001001001);(92.0,0.006006006);(93.0,0.02002002);(94.0,0.0970970971);(95.0,0.029029029);(96.0,0.014014014);(97.0,0.032032032);(98.0,0.001001001);(106.0,0.003003003);(107.0,0.011011011);(108.0,0.0770770771);(109.0,1.0);(110.0,0.1421421421);(111.0,0.023023023);(112.0,0.001001001);(117.0,0.003003003);(120.0,0.006006006);(121.0,0.006006006);(122.0,0.027027027);(123.0,0.012012012);(124.0,0.014014014);(125.0,0.001001001);(129.0,0.001001001);(132.0,0.003003003);(133.0,0.002002002);(134.0,0.002002002);(135.0,0.009009009);(136.0,0.0810810811);(137.0,0.1151151151);(138.0,0.044044044);(139.0,0.004004004);(140.0,0.001001001);(147.0,0.001001001);(148.0,0.001001001);(149.0,0.011011011);(150.0,0.021021021);(151.0,0.006006006);(152.0,0.009009009);(161.0,0.001001001);(163.0,0.003003003);(164.0,0.007007007);(165.0,0.0820820821);(166.0,0.016016016);(167.0,0.001001001);(179.0,0.002002002);(192.0,0.001001001);(193.0,0.1881881882);(194.0,0.9199199199);(195.0,0.0940940941);(196.0,0.008008008);(197.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.001001001);(88.0,0.001001001);(92.0,0.006006006);(93.0,0.02002002);(94.0,0.0930930931);(95.0,0.03003003);(96.0,0.016016016);(97.0,0.039039039);(98.0,0.002002002);(106.0,0.004004004);(107.0,0.012012012);(108.0,0.0700700701);(109.0,0.997997998);(110.0,0.1291291291);(111.0,0.024024024);(112.0,0.002002002);(120.0,0.006006006);(121.0,0.006006006);(122.0,0.023023023);(123.0,0.011011011);(124.0,0.015015015);(125.0,0.002002002);(126.0,0.001001001);(132.0,0.002002002);(133.0,0.001001001);(134.0,0.002002002);(135.0,0.01001001);(136.0,0.0770770771);(137.0,0.0960960961);(138.0,0.036036036);(139.0,0.004004004);(140.0,0.002002002);(148.0,0.002002002);(149.0,0.011011011);(150.0,0.019019019);(151.0,0.006006006);(152.0,0.01001001);(153.0,0.001001001);(163.0,0.004004004);(164.0,0.008008008);(165.0,0.0750750751);(166.0,0.018018018);(167.0,0.001001001);(176.0,0.001001001);(179.0,0.003003003);(192.0,0.001001001);(193.0,0.1851851852);(194.0,1.0);(195.0,0.1061061061);(196.0,0.01001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (64.0,0.005005005);(65.0,0.018018018);(66.0,0.0930930931);(67.0,0.7337337337);(68.0,0.012012012);(69.0,0.015015015);(70.0,0.0670670671);(71.0,0.003003003);(72.0,0.001001001);(75.0,0.001001001);(76.0,0.002002002);(77.0,0.01001001);(78.0,0.011011011);(79.0,0.041041041);(80.0,0.035035035);(81.0,0.1201201201);(82.0,0.5405405405);(83.0,0.0530530531);(84.0,0.005005005);(91.0,0.001001001);(92.0,0.004004004);(93.0,0.012012012);(94.0,0.0620620621);(95.0,0.018018018);(96.0,0.01001001);(97.0,0.035035035);(98.0,0.001001001);(106.0,0.002002002);(107.0,0.008008008);(108.0,0.0570570571);(109.0,0.973973974);(110.0,0.1131131131);(111.0,0.017017017);(112.0,0.001001001);(120.0,0.003003003);(121.0,0.004004004);(122.0,0.015015015);(123.0,0.007007007);(124.0,0.01001001);(125.0,0.001001001);(132.0,0.001001001);(133.0,0.001001001);(134.0,0.001001001);(135.0,0.006006006);(136.0,0.0600600601);(137.0,0.0820820821);(138.0,0.028028028);(139.0,0.003003003);(140.0,0.001001001);(148.0,0.001001001);(149.0,0.007007007);(150.0,0.011011011);(151.0,0.004004004);(152.0,0.006006006);(163.0,0.002002002);(164.0,0.005005005);(165.0,0.0610610611);(166.0,0.013013013);(167.0,0.001001001);(179.0,0.002002002);(192.0,0.001001001);(193.0,0.1721721722);(194.0,1.0);(195.0,0.1011011011);(196.0,0.009009009) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.089);(71.0,0.004);(77.0,0.015);(78.0,0.013);(79.0,0.032);(80.0,0.045);(81.0,0.151);(82.0,0.649);(83.0,0.068);(84.0,0.032);(85.0,0.002);(86.0,0.002);(87.0,0.001);(91.0,0.004);(92.0,0.007);(93.0,0.02);(94.0,0.091);(95.0,0.027);(96.0,0.014);(97.0,0.033);(98.0,0.001);(100.0,0.002);(102.0,0.001);(103.0,0.002);(105.0,0.001);(106.0,0.003);(107.0,0.011);(108.0,0.07);(109.0,0.987);(110.0,0.129);(111.0,0.021);(112.0,0.001);(118.0,0.0);(120.0,0.005);(121.0,0.006);(122.0,0.022);(123.0,0.01);(124.0,0.012);(129.0,0.009);(130.0,0.0);(132.0,0.003);(133.0,0.003);(134.0,0.002);(135.0,0.009);(136.0,0.076);(137.0,0.11);(138.0,0.039);(139.0,0.004);(140.0,0.001);(141.0,0.0);(150.0,0.018);(151.0,0.005);(152.0,0.009);(160.0,0.0);(161.0,0.001);(163.0,0.003);(164.0,0.007);(165.0,0.078);(166.0,0.015);(167.0,0.001);(170.0,0.0);(174.0,0.014);(175.0,0.003);(176.0,0.001);(177.0,0.0);(179.0,0.002);(183.0,0.001);(186.0,0.001);(192.0,0.002);(193.0,0.19);(194.0,1.0);(195.0,0.103);(196.0,0.01);(198.0,0.001);(199.0,0.001) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (55.0,6.57);(67.0,2.76);(82.0,5.98);(109.0,34.8);(110.0,4.49);(136.0,2.9);(137.0,8.98);(138.0,1.65);(165.0,4.55);(193.0,10.15);(194.0,99.99);(195.0,10.24) | | GC-MS | CI-B | positive | Not Available | View Spectrum | (110.0,3.0);(194.0,30.0);(195.0,99.99);(196.0,10.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (41.0,1.45);(42.0,9.48);(52.0,0.51);(54.0,1.21);(55.0,50.9);(56.0,3.24);(57.0,0.34);(58.0,0.28);(61.0,1.37);(67.0,19.07);(68.0,3.25);(69.0,1.38);(70.0,2.67);(71.0,0.19);(72.0,0.76);(80.0,0.32);(81.0,3.47);(82.0,27.09);(83.0,2.72);(84.0,0.18);(87.0,1.6);(94.0,2.26);(95.0,0.49);(96.0,0.64);(97.0,1.76);(98.0,0.22);(107.0,0.3);(108.0,2.83);(109.0,71.27);(110.0,10.47);(111.0,1.1);(113.0,0.13);(121.0,0.14);(122.0,0.51);(123.0,0.56);(124.0,0.71);(125.0,0.76);(126.0,0.17);(135.0,0.5);(136.0,5.3);(137.0,10.69);(138.0,2.37);(139.0,0.34);(149.0,0.5);(150.0,0.4);(151.0,0.15);(153.0,0.21);(154.0,1.71);(155.0,0.1);(156.0,0.15);(164.0,0.4);(165.0,5.28);(166.0,1.15);(192.0,2.72);(193.0,11.44);(194.0,99.99);(195.0,16.7);(196.0,1.53) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (28.0,1.4);(55.0,7.9);(67.0,9.7);(68.0,1.0);(82.0,9.3);(83.0,1.4);(108.0,1.0);(109.0,2.32);(110.0,8.6);(123.0,2.9);(138.0,1.4);(165.0,0.34);(193.0,5.6);(194.0,99.99);(195.0,19.7);(196.0,1.7) | | GC-MS | CI-B | positive | Not Available | View Spectrum | (137.0,0.46);(138.0,0.25);(150.0,0.31);(154.0,0.23);(109.0,1.51);(110.0,1.62);(111.0,0.15);(136.0,0.3);(81.0,0.29);(82.0,1.31);(83.0,0.37);(94.0,0.1);(66.0,0.31);(67.0,2.17);(68.0,0.27);(70.0,0.31);(197.0,5.9);(198.0,0.52);(193.0,3.99);(194.0,28.79);(195.0,99.99);(196.0,25.55);(165.0,0.35);(166.0,0.14);(176.0,0.12);(178.0,0.79) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,76.376376);(83.0,8.208208);(84.0,0.500501);(91.0,0.1001);(92.0,0.500501);(93.0,1.701702);(94.0,8.308308);(95.0,2.602603);(96.0,1.301301);(97.0,2.902903);(98.0,0.1001);(106.0,0.3003);(107.0,1.201201);(108.0,7.707708);(109.0,100.0);(110.0,13.013013);(111.0,2.102102);(112.0,0.1001);(120.0,0.500501);(121.0,0.4004);(122.0,2.102102);(123.0,0.900901);(124.0,1.101101);(125.0,0.1001);(132.0,0.1001);(133.0,0.1001);(134.0,0.2002);(135.0,0.700701);(136.0,6.306306);(137.0,8.508509);(138.0,3.203203);(139.0,0.3003);(140.0,0.1001);(147.0,0.1001);(148.0,0.1001);(149.0,0.800801);(150.0,1.401401);(151.0,0.4004);(152.0,0.700701);(163.0,0.2002);(164.0,0.500501);(165.0,6.106106);(166.0,1.301301);(167.0,0.1001);(179.0,0.2002);(192.0,0.1001);(193.0,19.019019);(194.0,89.58959);(195.0,8.908909);(196.0,0.700701) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,57.457457);(83.0,6.606607);(84.0,0.4004);(91.0,0.1001);(92.0,0.600601);(93.0,2.002002);(94.0,9.70971);(95.0,2.902903);(96.0,1.401401);(97.0,3.203203);(98.0,0.1001);(106.0,0.3003);(107.0,1.101101);(108.0,7.707708);(109.0,100.0);(110.0,14.214214);(111.0,2.302302);(112.0,0.1001);(117.0,0.3003);(120.0,0.600601);(121.0,0.600601);(122.0,2.702703);(123.0,1.201201);(124.0,1.401401);(125.0,0.1001);(129.0,0.1001);(132.0,0.3003);(133.0,0.2002);(134.0,0.2002);(135.0,0.900901);(136.0,8.108108);(137.0,11.511512);(138.0,4.404404);(139.0,0.4004);(140.0,0.1001);(147.0,0.1001);(148.0,0.1001);(149.0,1.101101);(150.0,2.102102);(151.0,0.600601);(152.0,0.900901);(161.0,0.1001);(163.0,0.3003);(164.0,0.700701);(165.0,8.208208);(166.0,1.601602);(167.0,0.1001);(179.0,0.2002);(192.0,0.1001);(193.0,18.818819);(194.0,91.991992);(195.0,9.409409);(196.0,0.800801);(197.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.1001);(88.0,0.1001);(92.0,0.600601);(93.0,2.002002);(94.0,9.309309);(95.0,3.003003);(96.0,1.601602);(97.0,3.903904);(98.0,0.2002);(106.0,0.4004);(107.0,1.201201);(108.0,7.007007);(109.0,99.7998);(110.0,12.912913);(111.0,2.402402);(112.0,0.2002);(120.0,0.600601);(121.0,0.600601);(122.0,2.302302);(123.0,1.101101);(124.0,1.501502);(125.0,0.2002);(126.0,0.1001);(132.0,0.2002);(133.0,0.1001);(134.0,0.2002);(135.0,1.001001);(136.0,7.707708);(137.0,9.60961);(138.0,3.603604);(139.0,0.4004);(140.0,0.2002);(148.0,0.2002);(149.0,1.101101);(150.0,1.901902);(151.0,0.600601);(152.0,1.001001);(153.0,0.1001);(163.0,0.4004);(164.0,0.800801);(165.0,7.507508);(166.0,1.801802);(167.0,0.1001);(176.0,0.1001);(179.0,0.3003);(192.0,0.1001);(193.0,18.518519);(194.0,100.0);(195.0,10.610611);(196.0,1.001001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (64.0,0.500501);(65.0,1.801802);(66.0,9.309309);(67.0,73.373373);(68.0,1.201201);(69.0,1.501502);(70.0,6.706707);(71.0,0.3003);(72.0,0.1001);(75.0,0.1001);(76.0,0.2002);(77.0,1.001001);(78.0,1.101101);(79.0,4.104104);(80.0,3.503504);(81.0,12.012012);(82.0,54.054054);(83.0,5.305305);(84.0,0.500501);(91.0,0.1001);(92.0,0.4004);(93.0,1.201201);(94.0,6.206206);(95.0,1.801802);(96.0,1.001001);(97.0,3.503504);(98.0,0.1001);(106.0,0.2002);(107.0,0.800801);(108.0,5.705706);(109.0,97.397397);(110.0,11.311311);(111.0,1.701702);(112.0,0.1001);(120.0,0.3003);(121.0,0.4004);(122.0,1.501502);(123.0,0.700701);(124.0,1.001001);(125.0,0.1001);(132.0,0.1001);(133.0,0.1001);(134.0,0.1001);(135.0,0.600601);(136.0,6.006006);(137.0,8.208208);(138.0,2.802803);(139.0,0.3003);(140.0,0.1001);(148.0,0.1001);(149.0,0.700701);(150.0,1.101101);(151.0,0.4004);(152.0,0.600601);(163.0,0.2002);(164.0,0.500501);(165.0,6.106106);(166.0,1.301301);(167.0,0.1001);(179.0,0.2002);(192.0,0.1001);(193.0,17.217217);(194.0,100.0);(195.0,10.11011);(196.0,0.900901) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.089);(71.0,0.004);(77.0,0.015);(78.0,0.013);(79.0,0.032);(80.0,0.045);(81.0,0.151);(82.0,0.649);(83.0,0.068);(84.0,0.032);(85.0,0.002);(86.0,0.002);(87.0,0.001);(91.0,0.004);(92.0,0.007);(93.0,0.02);(94.0,0.091);(95.0,0.027);(96.0,0.014);(97.0,0.033);(98.0,0.001);(100.0,0.002);(102.0,0.001);(103.0,0.002);(105.0,0.001);(106.0,0.003);(107.0,0.011);(108.0,0.07);(109.0,0.987);(110.0,0.129);(111.0,0.021);(112.0,0.001);(118.0,0.0);(120.0,0.005);(121.0,0.006);(122.0,0.022);(123.0,0.01);(124.0,0.012);(129.0,0.009);(130.0,0.0);(132.0,0.003);(133.0,0.003);(134.0,0.002);(135.0,0.009);(136.0,0.076);(137.0,0.11);(138.0,0.039);(139.0,0.004);(140.0,0.001);(141.0,0.0);(150.0,0.018);(151.0,0.005);(152.0,0.009);(160.0,0.0);(161.0,0.001);(163.0,0.003);(164.0,0.007);(165.0,0.078);(166.0,0.015);(167.0,0.001);(170.0,0.0);(174.0,0.014);(175.0,0.003);(176.0,0.001);(177.0,0.0);(179.0,0.002);(183.0,0.001);(186.0,0.001);(192.0,0.002);(193.0,0.19);(194.0,1.0);(195.0,0.103);(196.0,0.01);(198.0,0.001);(199.0,0.001) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.02091252,1.870032632);(68.03689622,1.160686823);(80.03689622,2.91808746);(82.05254542,1.050562284);(107.047794,2.78993888);(108.0318103,2.136839423);(108.0556186,5.185294127);(109.0396349,1.090341471);(109.0634432,6.102779672);(110.0474595,1.737654975);(110.0712678,5.342984357);(122.0348835,1.413580102);(135.0427081,1.59808345);(136.0505327,4.837372307);(137.0583573,11.59942773);(138.0423736,0.945892985);(138.0661819,5.309881259);(139.0740065,2.888315719);(140.0818311,2.494337971);(153.0532714,1.241730203);(164.0692551,1.585676839);(165.0532714,3.833881456);(165.0770797,2.365386999);(166.061096,2.666700945);(166.0849043,5.267374582);(167.0689206,4.310276456);(168.0767452,1.422901335);(178.04852,2.73771207);(179.0563446,4.68212761);(193.0719938,1.788244564);(194.0798184,5.625893315) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (41.02599842,0.9878469098);(57.02091252,1.395537548);(80.03689622,1.814682897);(82.05254542,1.792471628);(107.047794,1.206568691);(108.0318103,1.307193299);(108.0556186,1.750183162);(109.0396349,1.126221128);(109.0634432,3.188138731);(110.0474595,3.239740214);(110.0712678,1.337312498);(122.0348835,1.43572447);(135.0427081,1.192591734);(136.0505327,2.629864233);(137.0583573,8.737925612);(138.0423736,0.9558344046);(138.0661819,4.610644767);(139.0740065,2.860047347);(140.0818311,2.053512359);(153.0532714,1.277519817);(164.0692551,1.18333313);(165.0532714,4.432879993);(165.0770797,1.76808367);(166.061096,3.24114533);(166.0849043,3.883562209);(167.0689206,4.765215873);(168.0767452,1.473761365);(178.04852,1.852195733);(179.0563446,3.657972256);(193.0719938,2.400633669);(194.0798184,4.108240146) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (60.224,25.246);(107.152,16.475);(108.662,31.281);(110.675,13.74);(123.257,5.29);(153.833,44.156);(154.714,5.693);(168.555,5.933);(176.86,9.152);(193.974,15.831);(194.729,100.0);(195.61,19.291) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (42.359,7.235);(42.611,7.495);(69.031,13.161);(69.534,9.538);(83.373,8.546);(83.625,5.604);(109.417,8.884);(110.046,18.538);(110.549,13.773);(137.475,55.968);(138.23,100.0);(138.608,67.044);(194.478,14.99);(194.981,26.561);(195.61,17.699) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (41.479,6.218);(42.485,100.0);(42.611,94.836);(54.311,6.351);(54.562,5.753);(56.45,12.276);(56.701,11.843);(68.401,18.692);(68.527,23.727);(69.66,14.699);(80.983,7.425);(82.492,9.699);(83.247,20.588);(83.751,14.883);(122.376,6.796);(123.006,15.843);(123.509,12.553);(137.853,7.054);(138.608,5.934) | | LC-MS/MS | EI-B (HITACHI M-80) | Positive | Not Available | View Spectrum | (55.0,0.0660660661);(67.0,0.028028028);(82.0,0.0600600601);(109.0,0.3483483483);(110.0,0.045045045);(136.0,0.029029029);(137.0,0.0900900901);(138.0,0.017017017);(165.0,0.046046046);(193.0,0.1021021021);(194.0,1.0);(195.0,0.1021021021) | | LC-MS/MS | CI-B (Unknown) | Positive | Not Available | View Spectrum | (110.0,0.03003003);(194.0,0.3003003003);(195.0,1.0);(196.0,0.1001001001) | | LC-MS/MS | EI-B (HITACHI M-60) | Positive | Not Available | View Spectrum | (41.0,0.015015015);(42.0,0.0950950951);(52.0,0.005005005);(54.0,0.012012012);(55.0,0.5095095095);(56.0,0.032032032);(57.0,0.003003003);(58.0,0.003003003);(61.0,0.014014014);(67.0,0.1911911912);(68.0,0.033033033);(69.0,0.014014014);(70.0,0.027027027);(71.0,0.002002002);(72.0,0.008008008);(80.0,0.003003003);(81.0,0.035035035);(82.0,0.2712712713);(83.0,0.027027027);(84.0,0.002002002);(87.0,0.016016016);(94.0,0.023023023);(95.0,0.005005005);(96.0,0.006006006);(97.0,0.018018018);(98.0,0.002002002);(107.0,0.003003003);(108.0,0.028028028);(109.0,0.7137137137);(110.0,0.1051051051);(111.0,0.011011011);(113.0,0.001001001);(121.0,0.001001001);(122.0,0.005005005);(123.0,0.006006006);(124.0,0.007007007);(125.0,0.008008008);(126.0,0.002002002);(135.0,0.005005005);(136.0,0.0530530531);(137.0,0.1071071071);(138.0,0.024024024);(139.0,0.003003003);(149.0,0.005005005);(150.0,0.004004004);(151.0,0.002002002);(153.0,0.002002002);(154.0,0.017017017);(155.0,0.001001001);(156.0,0.002002002);(164.0,0.004004004);(165.0,0.0530530531);(166.0,0.012012012);(192.0,0.027027027);(193.0,0.1141141141);(194.0,1.0);(195.0,0.1671671672);(196.0,0.015015015) | | LC-MS/MS | EI-B (HITACHI M-68) | Positive | Not Available | View Spectrum | (28.0,0.014014014);(55.0,0.0790790791);(67.0,0.0970970971);(68.0,0.01001001);(82.0,0.0930930931);(83.0,0.014014014);(108.0,0.01001001);(109.0,0.023023023);(110.0,0.0860860861);(123.0,0.029029029);(138.0,0.014014014);(165.0,0.003003003);(193.0,0.0560560561);(194.0,1.0);(195.0,0.1971971972);(196.0,0.017017017) | | LC-MS/MS | CI-B (HITACHI M-60) | Positive | Not Available | View Spectrum | (66.0,0.003003003);(67.0,0.022022022);(68.0,0.003003003);(70.0,0.003003003);(81.0,0.003003003);(82.0,0.013013013);(83.0,0.004004004);(94.0,0.001001001);(109.0,0.015015015);(110.0,0.016016016);(111.0,0.002002002);(136.0,0.003003003);(137.0,0.005005005);(138.0,0.003003003);(150.0,0.003003003);(154.0,0.002002002);(165.0,0.004004004);(166.0,0.001001001);(176.0,0.001001001);(178.0,0.008008008);(193.0,0.04004004);(194.0,0.2882882883);(195.0,1.0);(196.0,0.2562562563);(197.0,0.0590590591);(198.0,0.005005005) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (68.7,0.001001001);(73.8,0.044044044);(75.1,0.011011011);(81.0,0.008008008);(99.0,0.004004004);(100.7,0.001001001);(101.8,0.002002002);(105.0,0.03003003);(113.0,0.003003003);(115.1,0.001001001);(117.8,0.001001001);(121.3,0.007007007);(122.3,0.002002002);(130.9,0.002002002);(135.1,0.039039039);(136.4,0.001001001);(137.1,0.002002002);(137.8,0.004004004);(149.3,0.001001001);(163.3,0.024024024);(174.3,0.001001001);(177.3,0.007007007);(178.2,0.035035035);(195.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (68.4,0.003003003);(73.0,0.002002002);(74.2,0.0700700701);(74.9,0.021021021);(81.0,0.02002002);(88.1,0.005005005);(89.0,0.004004004);(96.8,0.003003003);(98.9,0.017017017);(101.7,0.006006006);(104.6,0.003003003);(105.1,0.007007007);(106.3,0.002002002);(110.0,0.014014014);(110.9,0.002002002);(115.5,0.003003003);(121.4,0.01001001);(123.0,0.003003003);(135.2,0.005005005);(137.9,0.2502502503);(163.1,0.03003003);(177.7,0.004004004);(178.5,0.015015015);(195.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (44.7,0.005005005);(56.9,0.015015015);(68.9,0.0610610611);(73.9,0.1041041041);(75.1,0.016016016);(80.6,0.017017017);(83.1,0.0690690691);(87.8,0.005005005);(96.8,0.007007007);(97.4,0.002002002);(99.0,0.015015015);(106.3,0.006006006);(108.9,0.035035035);(110.1,0.3563563564);(111.1,0.021021021);(120.0,0.005005005);(121.8,0.015015015);(123.0,0.024024024);(134.9,0.007007007);(135.6,0.006006006);(138.1,1.0);(163.0,0.027027027);(195.2,0.2332332332) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (42.2,0.2162162162);(56.0,0.1421421421);(57.0,0.0600600601);(66.8,0.0600600601);(68.8,0.4774774775);(74.0,0.1941941942);(74.7,0.0970970971);(77.2,0.0670670671);(78.7,0.037037037);(81.2,0.2092092092);(81.4,0.022022022);(83.3,0.96996997);(92.7,0.03003003);(95.4,0.0670670671);(99.0,0.037037037);(104.8,0.0600600601);(109.0,0.2392392392);(110.2,1.0);(111.0,0.0890890891);(123.1,0.4404404404);(135.0,0.0600600601);(138.0,0.7687687688) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (42.1,0.6276276276);(57.0,0.2322322322);(68.2,0.3023023023);(68.9,0.3253253253);(73.8,0.1631631632);(78.7,0.1391391391);(80.9,0.3483483483);(83.2,1.0);(90.9,0.1631631632);(91.8,0.1391391391);(94.9,0.2322322322);(108.1,0.2092092092);(109.2,0.2092092092);(110.1,0.2322322322) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (138.0632,0.025025025);(195.0815,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (138.0641,0.2732732733);(195.0815,1.0) | | LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (110.074303,476.0);(120.059502,146.0);(122.070351,159.0);(123.045982,19488.0);(124.048798,822.0);(133.053772,140.0);(134.066147,166.0);(135.069672,1598.0);(136.074432,522.0);(138.070923,18283.0);(139.073715,759.0);(148.041336,136.0);(151.065567,288.0);(154.06601,333.0);(161.049103,105.0);(179.062866,432.0);(180.069748,240.0);(181.076538,178.0);(195.095917,958.0) | | LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | (45.142334,212.0);(45.604904,140.0);(45.676174,48.0);(45.76231,140.0);(46.5602,180.0);(48.067585,148.0);(48.486637,192.0);(50.306599,164.0);(55.474358,172.0);(56.56337,152.0);(56.830147,128.0);(57.144188,136.0);(58.832668,172.0);(60.980171,216.0);(62.835968,188.0);(63.73695,192.0);(63.991455,180.0);(66.465385,196.0);(67.480194,188.0);(74.202957,112.0);(74.735435,172.0);(78.756088,156.0);(82.218376,140.0);(82.89476,172.0);(84.687576,164.0);(87.707031,224.0);(88.508537,208.0);(90.481873,156.0);(91.509064,208.0);(92.27227,172.0);(95.06739,192.0);(96.061684,204.0);(97.038483,360.0);(105.412598,152.0);(106.004013,68.0);(108.063217,120.0);(109.039108,312.0);(109.05867,184.0);(110.037811,168.0);(110.069344,1120.0);(110.135963,48.0);(110.979385,192.0);(111.064842,160.0);(114.089516,128.0);(115.46064,60.0);(120.948212,84.0);(121.994614,152.0);(122.593323,124.0);(123.042168,1184.0);(124.045509,128.0);(124.085411,104.0);(125.584305,152.0);(132.00351,260.0);(134.406372,132.0);(135.068237,220.0);(136.070633,280.0);(136.384247,172.0);(137.059174,196.0);(137.918045,92.0);(138.016235,192.0);(138.065887,3616.0);(138.428085,20.0);(139.067612,396.0);(146.410843,20.0);(151.089951,156.0);(151.867615,104.0);(156.957581,140.0);(156.977524,44.0);(164.55571,216.0);(165.089767,196.0);(170.116989,176.0);(171.764267,64.0);(174.97467,192.0);(193.106491,200.0);(194.691833,36.0);(195.08699,1112.0);(196.255768,120.0);(351.647003,20.0);(375.573761,40.0);(591.186218,20.0);(592.0625,20.0);(656.45697,68.0);(829.525269,20.0);(839.639648,80.0);(921.564392,136.0);(966.516724,192.0);(1050.55542,160.0);(1158.859009,188.0);(1203.181763,156.0);(1208.932739,204.0);(1239.617188,56.0);(1250.348389,204.0);(1274.641235,184.0);(1342.518677,60.0);(1359.014648,220.0);(1359.073364,108.0);(1382.433594,80.0);(1387.233276,228.0);(1392.583496,232.0);(1443.70105,148.0);(1484.966919,148.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (110.0713,2.13709);(138.0662,100.0);(195.0877,15.196972) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (138.0665,0.304379);(195.0878,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (138.0662,4.145782);(195.0879,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (69.0448,0.38798);(83.0601,0.334632);(110.0714,1.869442);(138.0662,50.435528);(195.0878,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0494,0.590567);(69.0447,2.725394);(82.0525,0.232865);(83.0603,3.218377);(109.0396,1.006824);(110.0712,11.048935);(111.0554,0.653122);(123.0426,1.175071);(138.0662,100.0);(195.0877,44.415398) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0494,2.152604);(67.029,0.337021);(69.0447,9.020368);(81.0446,0.709497);(82.0525,0.542032);(83.0603,10.926113);(97.0396,0.537252);(109.0397,4.661313);(110.0712,23.304189);(111.0551,1.630278);(123.0426,7.017447);(138.0661,100.0);(195.0871,11.326815) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0493,6.227087);(68.0368,0.911415);(69.0446,24.684876);(81.0446,2.910163);(82.0526,2.669163);(83.0603,32.8646);(97.0395,1.512231);(109.0396,11.855344);(110.0712,45.322523);(111.0552,3.305933);(123.0426,36.895807);(136.05,1.466793);(138.066,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (195.0876,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (138.0661,3.693034);(195.0877,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (69.0446,0.228375);(83.0605,0.27285);(110.0712,2.046056);(111.0555,0.197427);(138.0662,49.783819);(195.0877,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0494,0.45891);(69.0447,2.585509);(83.0603,2.445636);(109.0395,0.508362);(110.0712,8.968386);(111.0551,0.524448);(123.0429,0.974262);(138.0662,100.0);(195.0876,40.993816) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0495,2.271009);(69.0447,9.266171);(81.0447,0.920681);(83.0604,9.818999);(97.0396,0.584162);(109.0396,3.509617);(110.0713,21.479806);(111.0553,2.180332);(123.0426,6.892597);(138.0662,100.0);(195.0878,10.564976) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (56.0494,6.515152);(67.0291,0.923917);(68.0368,1.350538);(69.0447,23.000571);(81.0447,1.98003);(82.0525,2.974176);(83.0603,29.861228);(109.0396,12.293347);(110.0712,38.884466);(111.0552,3.3165);(123.0426,35.180033);(136.0506,1.101332);(138.0661,100.0);(195.087,2.221644) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (69.0447,0.345538);(110.0711,1.600309);(138.0661,100.0);(195.0874,2.311535) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (138.0666,1.777315);(195.0877,100.0);(196.0903,8.153805) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (110.072,3.692379);(138.0667,84.763304);(139.0695,4.611497);(195.0876,100.0);(196.0903,8.372155) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (83.0588,1.366164);(109.0399,2.164287);(110.0718,20.726056);(111.0566,1.263318);(123.0432,7.357619);(138.0667,100.0);(139.0694,6.383979);(195.0873,13.806977);(196.0903,1.28268) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (81.0419,1.339959);(82.0505,1.025823);(83.0587,13.255834);(97.037,1.315112);(108.0547,2.129736);(109.04,14.766173);(110.0714,52.269056);(111.0566,4.506167);(111.0747,2.605378);(123.0429,89.03718);(124.0454,4.855799);(135.0671,1.98243);(136.0505,2.605378);(138.0663,100.0);(139.0693,6.481498);(151.0614,1.055994);(154.0608,1.375455);(195.0867,3.118289) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (81.0433,1.517522);(82.053,1.69584);(83.0589,10.488009);(97.0394,1.371957);(108.0566,2.525565);(109.033,1.000764);(109.0406,8.974125);(110.0718,13.690454);(122.0354,1.321009);(123.0435,100.0);(124.0467,5.083882);(135.0663,1.834128);(136.0515,1.422905);(138.0667,14.167181);(139.0691,1.382874) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (29.0,0.93043);(30.0,0.71223);(36.0,0.40467);(38.0,0.71223);(39.0,0.29525);(42.0,6.92026);(43.0,1.10266);(44.0,1.92755);(45.0,2.69416);(46.0,1.49827);(48.0,0.30173);(53.0,0.17482);(54.0,0.13079);(55.0,0.12885);(56.0,1.39661);(57.0,0.42863);(58.0,0.34187);(59.0,0.74913);(68.0,0.2441);(69.0,6.71825);(70.0,0.20978);(71.0,0.14763);(72.0,0.51216);(76.0,0.46036);(77.0,0.81841);(81.0,0.75626);(83.0,4.14646);(84.0,0.55554);(86.0,0.86374);(89.0,1.78445);(90.0,0.33151);(95.0,0.92654);(96.0,0.3341);(97.0,1.56561);(98.0,0.35417);(104.0,0.22921);(106.0,0.45583);(108.0,0.37619);(109.0,2.79258);(110.0,20.12043);(111.0,3.07812);(112.0,0.22532);(113.0,1.41798);(114.0,0.34252);(117.0,0.61316);(121.0,0.46878);(122.0,0.10165);(123.0,1.77345);(125.0,0.45906);(127.0,0.34381);(135.0,0.14957);(136.0,0.96474);(138.0,100.0);(140.0,0.69993);(142.0,0.25122);(152.0,0.1146);(159.0,0.15604);(161.0,0.16964);(163.0,1.65625);(169.0,0.30367);(170.0,0.44806);(173.0,0.29331);(176.0,0.32503);(177.0,1.45748);(179.0,0.41762);(180.0,0.27712);(183.0,0.64618);(189.0,0.43899);(190.0,0.3723);(193.0,0.15734);(195.0,34.27822);(196.0,0.19619) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (27.0,0.64627);(28.0,0.57577);(30.0,1.21469);(32.0,0.45386);(36.0,0.40686);(37.0,1.4027);(40.0,0.39951);(41.0,0.16304);(42.0,37.31328);(43.0,0.3011);(44.0,0.29229);(45.0,4.29623);(46.0,0.70796);(48.0,0.60808);(52.0,0.43036);(53.0,0.37454);(54.0,2.38826);(55.0,0.36573);(56.0,2.35301);(57.0,1.43942);(58.0,0.45533);(59.0,0.27173);(62.0,0.1836);(66.0,0.54639);(67.0,1.35129);(68.0,0.83721);(69.0,20.44857);(70.0,3.47517);(72.0,2.31188);(73.0,4.42107);(74.0,0.19388);(81.0,1.74199);(82.0,0.29963);(83.0,29.63735);(84.0,2.3442);(88.0,0.17919);(89.0,1.33954);(92.0,0.38189);(93.0,1.70968);(95.0,0.9694);(97.0,2.77602);(98.0,1.43942);(104.0,0.2967);(108.0,1.24994);(109.0,9.77483);(110.0,36.34681);(111.0,2.09891);(112.0,1.02228);(113.0,2.37064);(114.0,0.31873);(115.0,0.28348);(118.0,0.40539);(119.0,0.90037);(120.0,1.0355);(121.0,1.0781);(122.0,3.57064);(123.0,8.82012);(124.0,2.06219);(126.0,0.85631);(127.0,0.17626);(128.0,0.29082);(131.0,1.20882);(132.0,0.23794);(135.0,2.68055);(136.0,1.69352);(137.0,0.37601);(138.0,100.0);(140.0,0.46267);(142.0,1.51727);(150.0,0.22032);(154.0,0.45826);(155.0,1.67443);(158.0,0.47736);(160.0,0.3437);(163.0,3.84384);(166.0,0.27173);(168.0,1.60539);(169.0,0.4612);(174.0,0.52583);(177.0,0.30551);(180.0,1.13685);(181.0,1.33367);(186.0,0.5978);(190.0,0.30845);(194.0,0.33048);(195.0,10.54448);(196.0,1.21469);(197.0,1.03697);(199.0,0.39951) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (27.0,1.21217);(28.0,3.33026);(29.0,0.64464);(30.0,2.2059);(31.0,3.36025);(34.0,0.76671);(35.0,0.61037);(37.0,0.756);(42.0,100.0);(43.0,3.60654);(44.0,0.4219);(45.0,14.70884);(46.0,2.34082);(48.0,1.40492);(49.0,1.19076);(50.0,0.32125);(53.0,3.08612);(54.0,3.72219);(55.0,1.5634);(56.0,12.6293);(57.0,4.16979);(58.0,0.6789);(62.0,1.38779);(63.0,1.14792);(64.0,1.05369);(67.0,1.80327);(68.0,3.23603);(69.0,31.33874);(70.0,3.3838);(71.0,4.95792);(72.0,2.10952);(73.0,0.29769);(74.0,0.23772);(75.0,0.71103);(76.0,2.79057);(77.0,0.63393);(80.0,0.21416);(81.0,4.19121);(82.0,2.19305);(83.0,36.46157);(84.0,2.64065);(85.0,0.19917);(92.0,1.74759);(95.0,9.50035);(96.0,0.61037);(97.0,3.31956);(98.0,0.90592);(99.0,1.07297);(102.0,0.52042);(103.0,0.68747);(105.0,0.35766);(107.0,0.15848);(108.0,1.02585);(109.0,8.30746);(110.0,30.16726);(111.0,11.63558);(114.0,0.57825);(120.0,0.36408);(122.0,0.756);(123.0,27.18181);(124.0,0.83953);(125.0,0.79883);(126.0,0.11137);(128.0,0.21845);(130.0,1.20575);(135.0,0.70246);(136.0,0.17562);(137.0,0.11779);(138.0,38.68888);(139.0,4.26402);(142.0,0.55897);(147.0,0.69604);(148.0,2.46075);(151.0,0.73673);(153.0,0.48187);(154.0,1.40492);(155.0,0.77956);(156.0,1.22502);(157.0,0.50757);(161.0,0.29126);(163.0,1.37065);(165.0,3.04757);(172.0,0.56754);(173.0,0.61251);(181.0,1.38136);(185.0,0.74529);(186.0,0.29769);(189.0,1.80113);(193.0,3.86782);(194.0,3.9492);(195.0,7.02247);(197.0,1.21431) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (68.7,0.12475);(73.8,4.441118);(75.1,1.147705);(81.0,0.773453);(99.0,0.424152);(100.7,0.149701);(101.8,0.174651);(105.0,2.969062);(113.0,0.349301);(115.1,0.07485);(117.8,0.149701);(121.3,0.698603);(122.3,0.224551);(130.9,0.224551);(135.1,3.867265);(136.4,0.12475);(137.1,0.174651);(137.8,0.399202);(149.3,0.149701);(163.3,2.39521);(174.3,0.12475);(177.3,0.673653);(178.2,3.517964);(195.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (68.4,0.345821);(73.0,0.230548);(74.2,7.0317);(74.9,2.132565);(81.0,1.959654);(88.1,0.461095);(89.0,0.403458);(96.8,0.345821);(98.9,1.729107);(101.7,0.634006);(104.6,0.345821);(105.1,0.74928);(106.3,0.230548);(110.0,1.383285);(110.9,0.172911);(115.5,0.345821);(121.4,0.979827);(123.0,0.345821);(135.2,0.518732);(137.9,25.072046);(163.1,2.997118);(177.7,0.403458);(178.5,1.498559);(195.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (44.7,0.486027);(56.9,1.45808);(68.9,6.075334);(73.9,10.449575);(75.1,1.579587);(80.6,1.701094);(83.1,6.925881);(87.8,0.486027);(96.8,0.72904);(97.4,0.243013);(99.0,1.45808);(106.3,0.607533);(108.9,3.523694);(110.1,35.601458);(111.1,2.065614);(120.0,0.486027);(121.8,1.45808);(123.0,2.430134);(134.9,0.72904);(135.6,0.607533);(138.1,100.0);(163.0,2.673147);(195.2,23.329283) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (42.2,21.641791);(56.0,14.179104);(57.0,5.970149);(66.8,5.970149);(68.8,47.761194);(74.0,19.402985);(74.7,9.701493);(77.2,6.716418);(78.7,3.731343);(81.2,20.895522);(81.4,2.238806);(83.3,97.014925);(92.7,2.985075);(95.4,6.716418);(99.0,3.731343);(104.8,5.970149);(109.0,23.880597);(110.2,100.0);(111.0,8.955224);(123.1,44.029851);(135.0,5.970149);(138.0,76.865672) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (42.1,62.790698);(57.0,23.255814);(68.2,30.232558);(68.9,32.55814);(73.8,16.27907);(78.7,13.953488);(80.9,34.883721);(83.2,100.0);(90.9,16.27907);(91.8,13.953488);(94.9,23.255814);(108.1,20.930233);(109.2,20.930233);(110.1,23.255814) | | LC-MS/MS | LC-ESI-IT | positive | Not Available | View Spectrum | (69.2,0.2);(110.1,1.8);(111.2,0.2);(122.2,0.2);(138.1,100.0);(139.1,7.4);(151.2,0.7);(152.2,0.2);(156.3,0.2);(162.0,0.1);(163.1,0.9);(168.1,0.1);(177.2,0.4);(181.1,0.2);(195.1,11.2);(196.2,1.1) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (138.0632,2.533333);(195.0815,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (138.0641,27.355751);(195.0815,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (83.0604,1.494873);(109.04,0.538413);(110.0714,7.872524);(111.0554,0.492424);(123.0424,0.555625);(138.0663,100.0);(151.0979,0.352858);(195.0878,61.048915) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (83.0605,14.656244);(109.0397,5.618402);(110.0713,29.30224);(111.0554,1.832641);(123.0429,12.567606);(138.0663,100.0);(163.0622,0.447454);(195.0879,7.13389) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (83.0604,0.230247);(110.0714,2.368615);(138.0664,100.0);(151.0984,0.614619);(163.0617,0.455724);(177.0162,0.861206);(195.088,4.205249) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (110.0714,1.984141);(138.0663,100.0);(151.0983,0.743404);(163.0614,0.333987);(177.0165,1.177865) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (110.071,3.837405);(138.0655,32.341015);(138.1057,0.840669);(138.1742,0.534072);(195.0864,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (109.0403,3.870968);(109.0641,0.539829);(110.0712,25.977617);(110.105,0.513496);(110.1684,0.513496);(111.055,2.264648);(123.0427,2.778144);(138.0657,100.0);(138.0978,1.843318);(138.1043,1.132324);(138.1218,1.60632);(138.1466,0.697828);(138.1747,1.909151);(195.0867,25.569454) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (108.0533,7.36342);(109.038,24.465558);(110.0718,35.391924);(123.0423,100.0);(123.0812,4.988124);(138.0644,23.27791) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (109.909536,3.504272);(121.918954,0.504114);(137.942137,100.0);(138.915024,0.748938);(150.985554,5.975344);(162.940436,2.726551);(176.952099,0.684756);(179.983709,0.500151);(194.999287,2.603995) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (109.915166,3.706789);(137.941603,100.0);(150.981819,5.793933);(162.946329,2.743139);(176.975551,0.682293);(179.963251,0.522811);(195.009039,2.569107) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (109.981248,1.450581);(134.959097,0.671645);(138.020235,100.0);(138.986351,2.369399);(146.882092,18.112045);(150.944732,1.430831);(152.964698,1.00984);(162.88175,6.341148);(164.895141,20.88029);(167.031673,1.393712);(176.88698,43.728468);(180.061247,1.141832);(180.94712,0.698071);(182.847896,0.648894);(194.986389,2.715806) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (45.142334,5.862832);(45.604904,3.871681);(45.676174,1.327434);(45.76231,3.871681);(46.5602,4.977876);(48.067585,4.09292);(48.486637,5.309735);(50.306599,4.535398);(55.474358,4.756637);(56.56337,4.20354);(56.830147,3.539823);(57.144188,3.761062);(58.832668,4.756637);(60.980171,5.973451);(62.835968,5.199115);(63.73695,5.309735);(63.991455,4.977876);(66.465385,5.420354);(67.480194,5.199115);(74.202957,3.097345);(74.735435,4.756637);(78.756088,4.314159);(82.218376,3.871681);(82.89476,4.756637);(84.687576,4.535398);(87.707031,6.19469);(88.508537,5.752212);(90.481873,4.314159);(91.509064,5.752212);(92.27227,4.756637);(95.06739,5.309735);(96.061684,5.641593);(97.038483,9.955752);(105.412598,4.20354);(106.004013,1.880531);(108.063217,3.318584);(109.039108,8.628319);(109.05867,5.088496);(110.037811,4.646018);(110.069344,30.973451);(110.135963,1.327434);(110.979385,5.309735);(111.064842,4.424779);(114.089516,3.539823);(115.46064,1.659292);(120.948212,2.323009);(121.994614,4.20354);(122.593323,3.429204);(123.042168,32.743363);(124.045509,3.539823);(124.085411,2.876106);(125.584305,4.20354);(132.00351,7.190265);(134.406372,3.650442);(135.068237,6.084071);(136.070633,7.743363);(136.384247,4.756637);(137.059174,5.420354);(137.918045,2.544248);(138.016235,5.309735);(138.065887,100.0);(138.428085,0.553097);(139.067612,10.951327);(146.410843,0.553097);(151.089951,4.314159);(151.867615,2.876106);(156.957581,3.871681);(156.977524,1.216814);(164.55571,5.973451);(165.089767,5.420354);(170.116989,4.867257);(171.764267,1.769912);(174.97467,5.309735);(193.106491,5.530973);(194.691833,0.995575);(195.08699,30.752212);(196.255768,3.318584);(351.647003,0.553097);(375.573761,1.106195);(591.186218,0.553097);(592.0625,0.553097);(656.45697,1.880531);(829.525269,0.553097);(839.639648,2.212389);(921.564392,3.761062);(966.516724,5.309735);(1050.55542,4.424779);(1158.859009,5.199115);(1203.181763,4.314159);(1208.932739,5.641593);(1239.617188,1.548673);(1250.348389,5.641593);(1274.641235,5.088496);(1342.518677,1.659292);(1359.014648,6.084071);(1359.073364,2.986726);(1382.433594,2.212389);(1387.233276,6.30531);(1392.583496,6.415929);(1443.70105,4.09292);(1484.966919,4.09292) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (55.030014,0.030123);(56.050129,0.057238);(58.065899,4.124449);(58.812824,0.028531);(59.062981,0.122168);(59.069233,1.487789);(59.07233,0.05284);(59.073723,0.164396);(60.077061,0.047279);(60.081631,0.035127);(62.599152,0.026788);(68.037643,0.036836);(68.05014,0.036727);(69.04528,0.261409);(70.065758,0.153892);(71.22419,0.290392);(71.226395,0.064815);(76.747612,0.030521);(83.060745,0.249391);(84.081291,0.070082);(87.044548,0.067869);(89.06015,12.232694);(89.089012,0.031287);(95.360992,0.032021);(96.711258,0.05184);(97.076401,0.218021);(98.07164,0.041543);(101.267822,0.02756);(107.049278,0.055869);(107.07048,0.655294);(108.052727,0.134003);(109.076225,0.037561);(110.071358,0.854122);(111.028755,0.031492);(111.055595,0.03682);(111.091835,1.656126);(112.087021,0.183613);(113.107353,0.134065);(113.545456,0.033725);(119.085709,0.051217);(121.101135,0.035292);(122.071442,0.030877);(123.042389,0.065374);(123.091866,0.043147);(124.087204,0.0449);(125.070839,0.136392);(125.107346,0.261454);(126.966209,0.030659);(127.338135,0.032943);(130.086166,0.542335);(131.961365,0.052298);(133.085785,2.590299);(135.0439,5.191677);(135.116089,0.04073);(136.047226,10.872955);(136.086716,0.536446);(136.99588,0.189515);(138.066025,21.384777);(143.405533,0.027599);(149.11499,0.036387);(149.971741,0.171603);(151.011215,0.033117);(151.096786,0.639324);(152.118027,0.203587);(154.097122,0.158123);(154.97702,0.147399);(155.35614,0.028794);(156.076553,0.061444);(159.080338,0.030394);(163.072769,0.128619);(164.224289,0.027837);(165.088104,2.451466);(167.125992,0.027481);(167.993591,0.028577);(172.987488,0.045929);(176.07045,0.136337);(177.073776,0.177705);(177.090805,0.036685);(177.111588,0.245172);(177.12616,0.032903);(180.063934,0.198066);(181.071747,0.177733);(187.14389,0.039349);(194.117752,0.39295);(194.997238,0.074709);(195.087509,100.0);(195.120865,37.683961);(195.160019,3.759094);(195.185181,0.192272);(196.024673,0.141819);(196.09082,0.20139);(200.299713,0.030114);(207.855743,0.031804) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (78.490295,1.3836);(82.05584,0.86951);(83.061951,7.533638);(93.031715,1.186849);(95.006111,1.764407);(95.058868,1.637471);(107.026573,1.523229);(109.039734,2.494288);(110.072395,11.709825);(116.638138,1.212237);(123.041946,16.120843);(137.720886,2.316578);(138.067368,100.0);(139.074814,1.358213);(154.060516,0.825083);(154.728897,0.660066);(180.070145,0.748921);(194.077194,1.967504);(194.621887,0.545824);(195.088684,82.349581);(196.093948,3.325717);(1675.005981,0.6918);(1696.915405,1.954811);(1765.141968,2.208682) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (56.0496,0.15495);(69.0448,1.308369);(83.0603,0.852409);(109.0397,0.312578);(110.0712,5.155244);(111.0553,0.287183);(123.0426,0.300464);(138.0661,39.649141);(151.0977,0.119114);(156.0766,0.105157);(180.064,0.128116);(195.0876,100.0) | | LC-MS/MS | ESI-ITFT | positive | Not Available | View Spectrum | (69.0447,0.284498);(83.0604,0.221005);(110.0713,2.35928);(111.0553,0.116789);(138.0662,100.0);(151.0979,0.464724);(163.0615,0.22992);(195.0877,20.232283) | | LC-MS/MS | APCI-ITFT | positive | Not Available | View Spectrum | (69.0446,0.591099);(83.0603,0.302997);(93.0447,0.205384);(108.0556,0.259868);(110.0712,12.981743);(111.0552,0.166015);(120.0555,0.282786);(122.0712,2.697722);(124.0868,1.4375);(134.0713,0.432794);(135.0665,0.455483);(136.0744,0.182959);(138.0661,100.0);(151.0978,23.269059);(163.0615,5.747709);(180.0642,1.821738);(181.072,1.318312);(195.0876,36.907937) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (181.0712,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (110.072,3.69);(138.0667,84.76);(139.0695,4.61);(195.0876,100.0);(196.0903,8.37) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0666,1.78);(195.0877,100.0);(196.0903,8.15) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.0844,100.0);(151.0947,25.95) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (163.038,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (83.0588,1.37);(109.0399,2.16);(110.0718,20.73);(111.0566,1.26);(123.0432,7.36);(138.0667,100.0);(139.0694,6.38);(195.0873,13.81);(196.0903,1.28) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0419,1.34);(82.0505,1.03);(83.0587,13.26);(97.037,1.32);(108.0547,2.13);(109.04,14.77);(110.0714,52.27);(111.0566,4.51);(123.0429,89.04);(124.0454,4.86);(135.0671,1.98);(136.0505,2.61);(138.0663,100.0);(139.0693,6.48);(151.0614,1.06);(154.0608,1.38);(195.0867,3.12) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0663,5.77);(195.0878,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,8.89);(69.0446,32.05);(81.0447,3.84);(82.0525,1.68);(83.0603,31.64);(97.0075,2.71);(108.0557,1.41);(109.0396,9.07);(110.0712,59.06);(111.0552,3.94);(123.0427,14.47);(138.0662,100.0);(195.0876,5.81) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.0331,42.47);(54.0341,1.03);(56.0492,4.28);(69.0453,10.27);(70.0276,1.03);(81.0446,1.44);(83.0604,10.14);(84.9606,1.21);(109.0406,4.48);(110.0717,33.99);(111.0554,1.88);(123.0424,5.5);(138.066,100.0);(195.087,24.93) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03426,26.29);(69.04623,7.2);(83.06062,3.31);(108.05574,1.75);(110.06946,24.94);(122.07037,1.42);(123.04293,7.11);(138.06653,93.5);(151.09723,4.3);(194.49059,1.13);(195.08994,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0494,1.55);(69.0447,9.48);(83.0603,7.03);(109.0397,2.13);(110.0713,28.8);(111.0552,1.7);(123.0426,2.28);(138.0662,100.0);(195.0877,19.44) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0663,13.74);(195.0879,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0433,1.52);(82.053,1.7);(83.0589,10.49);(97.0394,1.37);(108.0566,2.53);(109.0406,8.97);(110.0718,13.69);(122.0354,1.32);(123.0435,100.0);(124.0467,5.08);(135.0663,1.83);(136.0515,1.42);(138.0667,14.17);(139.0691,1.38) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0641,27.36);(195.0815,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.0447,1.83);(83.0603,1.07);(110.0713,10.14);(138.0663,100.0);(195.0878,84.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (195.0878,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (195.0876,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0661,3.69);(195.0877,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (138.0662,4.15);(195.0879,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0493,6.23);(69.0446,24.68);(81.0446,2.91);(82.0526,2.67);(83.0603,32.86);(97.0395,1.51);(109.0396,11.86);(110.0712,45.32);(111.0552,3.31);(123.0426,36.9);(136.05,1.47);(138.066,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (110.0713,2.14);(138.0662,100.0);(195.0877,15.2) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0494,2.15);(69.0447,9.02);(83.0603,10.93);(109.0397,4.66);(110.0712,23.3);(111.0551,1.63);(123.0426,7.02);(138.0661,100.0);(195.0871,11.33) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (110.0712,2.05);(138.0662,49.78);(195.0877,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.0447,2.59);(83.0603,2.45);(110.0712,8.97);(138.0662,100.0);(195.0876,40.99) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (110.071,3.84);(138.0655,32.34);(195.0864,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0494,6.52);(68.0368,1.35);(69.0447,23.0);(81.0447,1.98);(82.0525,2.97);(83.0603,29.86);(109.0396,12.29);(110.0712,38.88);(111.0552,3.32);(123.0426,35.18);(136.0506,1.1);(138.0661,100.0);(195.087,2.22) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,2.27);(69.0447,9.27);(83.0604,9.82);(109.0396,3.51);(110.0713,21.48);(111.0553,2.18);(123.0426,6.89);(138.0662,100.0);(195.0878,10.56) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (109.0403,3.87);(110.0712,25.98);(111.055,2.26);(123.0427,2.78);(138.0657,100.0);(138.0978,1.84);(138.1043,1.13);(138.1218,1.61);(138.1747,1.91);(195.0867,25.57) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (83.0604,1.49);(110.0714,7.87);(138.0663,100.0);(195.0878,61.05) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (108.0533,7.36);(109.038,24.47);(110.0718,35.39);(123.0423,100.0);(123.0812,4.99);(138.0644,23.28) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (28.01872406,0.0076157885);(30.03437413,0.0000049713);(54.03437413,0.0000085035);(55.01838972,0.0000008261);(55.0296231,0.0046282024);(57.04527316,0.0003824326);(58.02928875,0.0026223003);(68.01363868,0.0000001618);(81.04527316,0.0002080642);(82.02928875,0.0003283462);(84.04493881,0.000142936);(85.04018778,0.0010604403);(95.02453772,0.0002501664);(109.0401878,0.0002201341);(111.0558378,0.0345937991);(115.0507525,0.0000008656);(122.0354367,0.0021559533);(125.0351024,0.0000839093);(138.0667369,4.004224315);(139.0507525,0.0000012952);(141.0664025,0.0021759057);(152.0460014,0.0014819919);(165.0776359,0.0900355634);(168.0773016,0.3212946263);(179.0569005,0.1638807655);(195.0882006,95.36259774) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (28.01872406,0.052383364);(30.03437413,0.0012562035);(54.03437413,0.0159428181);(55.01838972,0.0000240834);(55.0296231,0.193860125);(57.04527316,0.2637100581);(58.02928875,0.28320947);(68.01363868,0.0015218873);(81.04527316,0.0016920936);(82.02928875,0.4452537249);(84.04493881,0.1719320929);(85.04018778,0.0527325691);(95.02453772,0.0080038847);(109.0401878,0.0600590795);(111.0558378,0.7386578387);(115.0507525,0.0006817237);(122.0354367,0.2605368373);(125.0351024,0.018237389);(138.0667369,39.6112483);(139.0507525,0.0002333038);(141.0664025,0.0913885556);(152.0460014,0.0194770561);(165.0776359,0.0579741951);(168.0773016,0.8278908537);(179.0569005,0.9363415176);(195.0882006,55.88575098) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (28.01872406,1.081499866);(30.03437413,0.1240134645);(54.03437413,1.134821097);(55.01838972,0.1877020664);(55.0296231,6.052187258);(57.04527316,2.335759882);(58.02928875,3.708840205);(68.01363868,0.1652234279);(81.04527316,0.6124001844);(82.02928875,4.329703652);(84.04493881,5.692137588);(85.04018778,0.3507173322);(95.02453772,1.616222978);(109.0401878,3.560802784);(111.0558378,26.0688135);(115.0507525,0.1230138394);(122.0354367,7.133148874);(125.0351024,0.3523331911);(138.0667369,27.02815149);(139.0507525,0.2703432951);(141.0664025,0.3662894922);(152.0460014,0.9882320467);(165.0776359,0.6941882244);(168.0773016,3.392606545);(179.0569005,1.073288411);(195.0882006,1.55755931) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (26.003074,0.0170864514);(28.01872406,0.000010095);(29.00273965,0.0289590485);(53.01397303,0.060510315);(55.0296231,0.0012558934);(56.01363868,2.909840871);(65.99798862,0.0000035182);(79.0296231,0.000262931);(80.01363868,0.0015489385);(82.02928875,0.0004733298);(83.02453772,0.0969339127);(93.00888765,0.0010068299);(107.0245377,0.0009665756);(109.0401878,0.0846846633);(113.0351024,0.0000659354);(120.0197867,0.0169694978);(136.0510868,5.452345952);(139.0507525,0.0717963158);(147.0306857,0.002855394);(150.0303514,0.0355047583);(163.0619858,0.3283755223);(166.0616515,0.9522505013);(177.0412504,0.4862613339);(193.0725505,89.45003142) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (26.003074,0.567631959);(28.01872406,0.0100866149);(29.00273965,0.0586048817);(53.01397303,0.0341584144);(55.0296231,0.048048257);(56.01363868,2.801095637);(65.99798862,0.004209412);(79.0296231,0.125398973);(80.01363868,0.025900032);(82.02928875,0.0142680203);(83.02453772,0.401452268);(93.00888765,0.2704238668);(107.0245377,0.0234001303);(109.0401878,2.730434217);(113.0351024,0.0881979862);(120.0197867,0.7909454079);(136.0510868,17.72833551);(139.0507525,0.3718004491);(147.0306857,0.0165281363);(150.0303514,0.8213613404);(163.0619858,0.5157347167);(166.0616515,5.622236435);(177.0412504,6.792955627);(193.0725505,60.13679171) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (26.003074,0.3641183404);(28.01872406,0.1620425442);(29.00273965,1.883139284);(53.01397303,1.758099505);(55.0296231,10.68288374);(56.01363868,8.452575762);(65.99798862,5.051599777);(79.0296231,0.386445074);(80.01363868,1.497613);(82.02928875,0.4579429762);(83.02453772,0.1295947985);(93.00888765,7.442234501);(107.0245377,0.4027633557);(109.0401878,9.736393497);(113.0351024,1.079743395);(120.0197867,8.306441231);(136.0510868,21.97958039);(139.0507525,0.8728275199);(147.0306857,1.122837573);(150.0303514,3.867792386);(163.0619858,6.587080697);(166.0616515,2.249918614);(177.0412504,2.405610235);(193.0725505,3.120721796) |
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