| 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 | (83.0,0.003003003);(84.0,0.013013013);(85.0,0.014014014);(86.0,0.6166166166);(87.0,0.0650650651);(88.0,0.028028028);(89.0,0.018018018);(90.0,0.01001001);(91.0,0.01001001);(92.0,0.002002002);(93.0,0.001001001);(97.0,0.001001001);(98.0,0.002002002);(99.0,0.009009009);(100.0,0.3053053053);(101.0,0.0670670671);(102.0,0.0840840841);(103.0,0.0980980981);(104.0,0.013013013);(105.0,0.004004004);(106.0,0.001001001);(107.0,0.001001001);(113.0,0.011011011);(114.0,0.013013013);(115.0,0.0510510511);(116.0,0.042042042);(117.0,0.0690690691);(118.0,0.012012012);(119.0,0.006006006);(120.0,0.002002002);(121.0,0.001001001);(127.0,0.005005005);(128.0,0.037037037);(129.0,0.029029029);(130.0,0.3373373373);(131.0,0.0670670671);(132.0,0.018018018);(133.0,0.005005005);(134.0,0.009009009);(135.0,0.002002002);(136.0,0.001001001);(137.0,0.035035035);(138.0,0.004004004);(140.0,0.002002002);(141.0,0.002002002);(142.0,0.012012012);(143.0,0.03003003);(144.0,0.038038038);(145.0,0.014014014);(146.0,0.0780780781);(147.0,0.014014014);(148.0,0.009009009);(149.0,0.001001001);(154.0,0.001001001);(155.0,0.002002002);(156.0,0.005005005);(157.0,0.001001001);(158.0,0.014014014);(159.0,0.004004004);(160.0,0.016016016);(161.0,0.003003003);(162.0,0.001001001);(169.0,0.001001001);(170.0,0.004004004);(171.0,0.002002002);(172.0,0.019019019);(173.0,0.006006006);(174.0,1.0);(175.0,0.1971971972);(176.0,0.0920920921);(177.0,0.011011011);(178.0,0.002002002);(184.0,0.007007007);(185.0,0.002002002);(186.0,0.009009009);(187.0,0.004004004);(188.0,0.03003003);(189.0,0.006006006);(190.0,0.003003003);(198.0,0.001001001);(199.0,0.005005005);(200.0,0.005005005);(201.0,0.0540540541);(202.0,0.012012012);(203.0,0.004004004);(204.0,0.001001001);(213.0,0.001001001);(214.0,0.004004004);(215.0,0.044044044);(216.0,0.009009009);(217.0,0.002002002);(287.0,0.003003003);(288.0,0.001001001);(289.0,0.035035035);(290.0,0.009009009);(291.0,0.003003003);(303.0,0.001001001);(304.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (83.0,0.002002002);(84.0,0.009009009);(85.0,0.007007007);(86.0,0.3423423423);(87.0,0.035035035);(88.0,0.014014014);(89.0,0.003003003);(90.0,0.001001001);(91.0,0.002002002);(93.0,0.001001001);(98.0,0.001001001);(99.0,0.004004004);(100.0,0.1651651652);(101.0,0.032032032);(102.0,0.028028028);(103.0,0.009009009);(104.0,0.002002002);(105.0,0.004004004);(106.0,0.001001001);(113.0,0.005005005);(114.0,0.006006006);(115.0,0.015015015);(116.0,0.021021021);(117.0,0.032032032);(118.0,0.006006006);(119.0,0.005005005);(120.0,0.001001001);(127.0,0.001001001);(128.0,0.004004004);(129.0,0.011011011);(130.0,0.0700700701);(131.0,0.026026026);(132.0,0.009009009);(133.0,0.003003003);(134.0,0.002002002);(135.0,0.001001001);(141.0,0.001001001);(142.0,0.002002002);(143.0,0.006006006);(144.0,0.016016016);(145.0,0.021021021);(146.0,0.023023023);(147.0,0.005005005);(148.0,0.002002002);(154.0,0.001001001);(156.0,0.005005005);(157.0,0.001001001);(158.0,0.01001001);(159.0,0.004004004);(160.0,0.007007007);(161.0,0.001001001);(169.0,0.002002002);(170.0,0.008008008);(171.0,0.002002002);(172.0,0.02002002);(173.0,0.015015015);(174.0,1.0);(175.0,0.1971971972);(176.0,0.0880880881);(177.0,0.011011011);(178.0,0.002002002);(182.0,0.001001001);(184.0,0.006006006);(185.0,0.002002002);(186.0,0.014014014);(187.0,0.004004004);(188.0,0.005005005);(189.0,0.001001001);(198.0,0.001001001);(199.0,0.004004004);(200.0,0.011011011);(201.0,0.003003003);(202.0,0.046046046);(203.0,0.011011011);(204.0,0.003003003);(213.0,0.001001001);(214.0,0.005005005);(215.0,0.005005005);(216.0,0.003003003);(217.0,0.001001001);(230.0,0.001001001);(244.0,0.001001001);(245.0,0.001001001);(246.0,0.003003003);(247.0,0.001001001);(257.0,0.001001001);(258.0,0.001001001);(260.0,0.001001001);(271.0,0.001001001);(272.0,0.001001001);(273.0,0.03003003);(274.0,0.008008008);(275.0,0.003003003);(287.0,0.006006006);(288.0,0.001001001);(361.0,0.01001001);(362.0,0.003003003);(363.0,0.001001001);(376.0,0.002002002);(377.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.01001001);(86.0,0.4654654655);(87.0,0.047047047);(88.0,0.02002002);(89.0,0.012012012);(90.0,0.006006006);(91.0,0.007007007);(92.0,0.002002002);(93.0,0.001001001);(98.0,0.001001001);(99.0,0.006006006);(100.0,0.2112112112);(101.0,0.043043043);(102.0,0.0620620621);(103.0,0.0520520521);(104.0,0.008008008);(105.0,0.003003003);(113.0,0.007007007);(114.0,0.008008008);(115.0,0.034034034);(116.0,0.028028028);(117.0,0.047047047);(118.0,0.009009009);(119.0,0.005005005);(120.0,0.002002002);(127.0,0.004004004);(128.0,0.02002002);(129.0,0.017017017);(130.0,0.2052052052);(131.0,0.047047047);(132.0,0.014014014);(133.0,0.004004004);(134.0,0.007007007);(135.0,0.002002002);(136.0,0.001001001);(137.0,0.033033033);(138.0,0.004004004);(140.0,0.001001001);(141.0,0.001001001);(142.0,0.009009009);(143.0,0.023023023);(144.0,0.027027027);(145.0,0.012012012);(146.0,0.043043043);(147.0,0.009009009);(148.0,0.007007007);(149.0,0.001001001);(154.0,0.001001001);(155.0,0.002002002);(156.0,0.005005005);(157.0,0.001001001);(158.0,0.013013013);(159.0,0.004004004);(160.0,0.017017017);(161.0,0.003003003);(162.0,0.001001001);(169.0,0.001001001);(170.0,0.005005005);(171.0,0.002002002);(172.0,0.019019019);(173.0,0.007007007);(174.0,1.0);(175.0,0.1881881882);(176.0,0.0840840841);(177.0,0.01001001);(178.0,0.002002002);(184.0,0.006006006);(185.0,0.002002002);(186.0,0.008008008);(187.0,0.003003003);(188.0,0.024024024);(189.0,0.005005005);(190.0,0.002002002);(199.0,0.004004004);(200.0,0.004004004);(201.0,0.036036036);(202.0,0.009009009);(203.0,0.003003003);(214.0,0.004004004);(215.0,0.029029029);(216.0,0.007007007);(217.0,0.002002002);(287.0,0.002002002);(288.0,0.001001001);(289.0,0.026026026);(290.0,0.008008008);(291.0,0.003003003);(304.0,0.002002002) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.022022022);(61.0,0.01001001);(62.0,0.003003003);(63.0,0.01001001);(64.0,0.002002002);(65.0,0.006006006);(66.0,0.001001001);(67.0,0.001001001);(69.0,0.001001001);(70.0,0.012012012);(71.0,0.009009009);(72.0,0.024024024);(73.0,0.987987988);(74.0,0.0930930931);(75.0,0.033033033);(76.0,0.015015015);(77.0,0.0880880881);(78.0,0.009009009);(79.0,0.002002002);(83.0,0.002002002);(84.0,0.006006006);(85.0,0.009009009);(86.0,0.5015015015);(87.0,0.046046046);(88.0,0.02002002);(89.0,0.011011011);(90.0,0.006006006);(91.0,0.006006006);(92.0,0.001001001);(93.0,0.001001001);(98.0,0.001001001);(99.0,0.005005005);(100.0,0.2232232232);(101.0,0.043043043);(102.0,0.0580580581);(103.0,0.0600600601);(104.0,0.008008008);(105.0,0.002002002);(113.0,0.006006006);(114.0,0.007007007);(115.0,0.034034034);(116.0,0.027027027);(117.0,0.047047047);(118.0,0.008008008);(119.0,0.004004004);(120.0,0.002002002);(127.0,0.004004004);(128.0,0.023023023);(129.0,0.017017017);(130.0,0.2152152152);(131.0,0.045045045);(132.0,0.012012012);(133.0,0.003003003);(134.0,0.006006006);(135.0,0.001001001);(136.0,0.001001001);(137.0,0.034034034);(138.0,0.003003003);(140.0,0.001001001);(141.0,0.001001001);(142.0,0.008008008);(143.0,0.02002002);(144.0,0.027027027);(145.0,0.01001001);(146.0,0.035035035);(147.0,0.007007007);(148.0,0.005005005);(149.0,0.001001001);(154.0,0.001001001);(155.0,0.001001001);(156.0,0.003003003);(157.0,0.001001001);(158.0,0.012012012);(159.0,0.004004004);(160.0,0.015015015);(161.0,0.002002002);(162.0,0.001001001);(170.0,0.003003003);(171.0,0.001001001);(172.0,0.016016016);(173.0,0.005005005);(174.0,1.0);(175.0,0.1881881882);(176.0,0.0900900901);(177.0,0.01001001);(178.0,0.001001001);(184.0,0.004004004);(185.0,0.001001001);(186.0,0.006006006);(187.0,0.002002002);(188.0,0.02002002);(189.0,0.004004004);(190.0,0.002002002);(199.0,0.003003003);(200.0,0.003003003);(201.0,0.038038038);(202.0,0.008008008);(203.0,0.002002002);(214.0,0.003003003);(215.0,0.029029029);(216.0,0.006006006);(217.0,0.001001001);(287.0,0.002002002);(289.0,0.032032032);(290.0,0.008008008);(291.0,0.003003003);(304.0,0.003003003);(305.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.011011011);(61.0,0.004004004);(63.0,0.001001001);(65.0,0.001001001);(67.0,0.001001001);(70.0,0.007007007);(71.0,0.005005005);(72.0,0.016016016);(73.0,1.0);(74.0,0.0850850851);(75.0,0.027027027);(76.0,0.003003003);(77.0,0.006006006);(78.0,0.001001001);(79.0,0.001001001);(83.0,0.001001001);(84.0,0.005005005);(85.0,0.004004004);(86.0,0.2202202202);(87.0,0.021021021);(88.0,0.008008008);(89.0,0.002002002);(91.0,0.001001001);(93.0,0.001001001);(99.0,0.002002002);(100.0,0.1021021021);(101.0,0.018018018);(102.0,0.017017017);(103.0,0.005005005);(104.0,0.001001001);(105.0,0.002002002);(113.0,0.002002002);(114.0,0.002002002);(115.0,0.009009009);(116.0,0.012012012);(117.0,0.02002002);(118.0,0.004004004);(119.0,0.003003003);(120.0,0.001001001);(128.0,0.002002002);(129.0,0.006006006);(130.0,0.042042042);(131.0,0.017017017);(132.0,0.006006006);(133.0,0.002002002);(134.0,0.001001001);(142.0,0.001001001);(143.0,0.004004004);(144.0,0.011011011);(145.0,0.014014014);(146.0,0.011011011);(147.0,0.002002002);(148.0,0.001001001);(156.0,0.003003003);(157.0,0.001001001);(158.0,0.009009009);(159.0,0.003003003);(160.0,0.005005005);(161.0,0.001001001);(169.0,0.001001001);(170.0,0.005005005);(171.0,0.001001001);(172.0,0.014014014);(173.0,0.013013013);(174.0,0.8868868869);(175.0,0.1641641642);(176.0,0.0780780781);(177.0,0.009009009);(178.0,0.001001001);(184.0,0.004004004);(185.0,0.001001001);(186.0,0.008008008);(187.0,0.003003003);(188.0,0.003003003);(198.0,0.001001001);(199.0,0.003003003);(200.0,0.007007007);(201.0,0.001001001);(202.0,0.031031031);(203.0,0.008008008);(204.0,0.002002002);(213.0,0.001001001);(214.0,0.003003003);(215.0,0.003003003);(216.0,0.002002002);(244.0,0.001001001);(246.0,0.002002002);(258.0,0.001001001);(273.0,0.023023023);(274.0,0.006006006);(275.0,0.002002002);(287.0,0.004004004);(288.0,0.001001001);(361.0,0.01001001);(362.0,0.003003003);(363.0,0.001001001);(376.0,0.005005005);(377.0,0.002002002) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.019);(71.0,0.037);(72.0,0.027);(76.0,0.015);(77.0,0.046);(78.0,0.012);(79.0,0.047);(83.0,0.011);(84.0,0.013);(85.0,0.03);(86.0,0.295);(87.0,0.028);(88.0,0.014);(89.0,0.009);(90.0,0.005);(91.0,0.023);(93.0,0.021);(99.0,0.013);(100.0,0.144);(101.0,0.025);(102.0,0.026);(103.0,0.047);(104.0,0.008);(105.0,0.008);(113.0,0.012);(114.0,0.007);(115.0,0.017);(116.0,0.021);(117.0,0.04);(118.0,0.007);(119.0,0.007);(120.0,0.004);(127.0,0.006);(128.0,0.011);(129.0,0.024);(130.0,0.101);(131.0,0.031);(132.0,0.01);(133.0,0.005);(134.0,0.005);(143.0,0.011);(144.0,0.019);(145.0,0.018);(146.0,0.019);(156.0,0.005);(157.0,0.001);(158.0,0.012);(159.0,0.004);(160.0,0.009);(161.0,0.003);(170.0,0.006);(171.0,0.002);(172.0,0.018);(173.0,0.013);(174.0,1.0);(175.0,0.213);(176.0,0.096);(177.0,0.012);(178.0,0.005);(179.0,0.002);(181.0,0.001);(182.0,0.003);(183.0,0.003);(184.0,0.007);(185.0,0.003);(186.0,0.014);(187.0,0.005);(188.0,0.013);(189.0,0.004);(190.0,0.003);(198.0,0.002);(199.0,0.005);(200.0,0.009);(201.0,0.016);(202.0,0.04);(203.0,0.01);(204.0,0.005);(213.0,0.001);(214.0,0.005);(215.0,0.014);(216.0,0.006);(217.0,0.003);(230.0,0.002);(273.0,0.035);(274.0,0.013);(275.0,0.005);(287.0,0.009);(288.0,0.002);(289.0,0.012);(361.0,0.029);(362.0,0.011);(363.0,0.006);(376.0,0.01);(377.0,0.005) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.015);(71.0,0.01);(72.0,0.026);(76.0,0.016);(77.0,0.093);(78.0,0.01);(79.0,0.002);(81.0,0.001);(83.0,0.002);(84.0,0.006);(85.0,0.009);(86.0,0.419);(87.0,0.04);(88.0,0.017);(89.0,0.012);(90.0,0.007);(91.0,0.007);(99.0,0.006);(100.0,0.206);(101.0,0.041);(102.0,0.052);(103.0,0.061);(104.0,0.009);(105.0,0.002);(113.0,0.008);(114.0,0.009);(115.0,0.034);(116.0,0.029);(117.0,0.048);(118.0,0.008);(119.0,0.004);(120.0,0.002);(127.0,0.003);(128.0,0.022);(129.0,0.017);(130.0,0.248);(131.0,0.046);(132.0,0.013);(133.0,0.003);(134.0,0.007);(135.0,0.001);(137.0,0.031);(138.0,0.003);(141.0,0.002);(142.0,0.007);(143.0,0.02);(144.0,0.029);(145.0,0.011);(146.0,0.049);(155.0,0.001);(156.0,0.004);(157.0,0.001);(158.0,0.015);(159.0,0.004);(160.0,0.016);(161.0,0.004);(162.0,0.001);(170.0,0.004);(171.0,0.001);(172.0,0.019);(174.0,1.0);(175.0,0.214);(176.0,0.097);(177.0,0.012);(178.0,0.002);(184.0,0.005);(185.0,0.001);(186.0,0.008);(187.0,0.003);(188.0,0.025);(189.0,0.004);(190.0,0.002);(199.0,0.003);(200.0,0.003);(201.0,0.039);(202.0,0.009);(203.0,0.002);(204.0,0.001);(213.0,0.001);(214.0,0.003);(215.0,0.032);(216.0,0.007);(217.0,0.002);(273.0,0.001);(287.0,0.003);(289.0,0.04);(290.0,0.011);(291.0,0.004);(292.0,0.001);(304.0,0.002) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,3.5);(41.0,2.2);(43.0,1.2);(50.0,0.22);(51.0,4.6);(52.0,2.0);(55.0,1.4);(62.0,0.11);(63.0,2.9);(64.0,1.2);(65.0,2.0);(74.0,0.16);(75.0,2.7);(76.0,3.1);(77.0,15.5);(78.0,0.32);(79.0,1.2);(89.0,2.6);(90.0,2.2);(91.0,0.14);(93.0,1.4);(102.0,5.3);(103.0,12.9);(104.0,0.2);(115.0,3.7);(116.0,1.4);(117.0,4.1);(128.0,0.54);(129.0,3.9);(130.0,99.99);(131.0,60.2);(132.0,0.64);(142.0,1.4);(143.0,4.4);(144.0,11.3);(145.0,0.42);(155.0,1.2);(156.0,1.1);(158.0,1.6);(160.0,1.2);(161.0,1.6) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.05,30.767613);(87.05,2.76541);(88.05,1.008996);(89.05,0.409379);(90.0,0.171946);(91.05,0.342064);(92.1,0.033841);(93.1,0.021768);(94.1,0.011524);(95.1,0.040243);(96.1,0.057437);(97.1,0.053779);(98.1,0.055242);(99.15,0.270358);(100.05,14.631907);(101.05,1.806718);(102.05,2.060979);(103.1,1.600199);(104.1,0.27548);(105.1,0.077742);(106.1,0.015);(107.1,0.046645);(108.1,0.06073);(109.1,0.01939);(110.1,0.03256);(111.1,0.036767);(112.1,0.043718);(113.05,0.284809);(114.05,0.240542);(115.05,1.285025);(116.05,1.051617);(117.05,2.024577);(118.1,0.317918);(119.05,0.245115);(120.1,0.103534);(121.1,0.058169);(122.1,0.044084);(123.1,0.017743);(124.1,0.009146);(125.1,0.021585);(126.1,0.008049);(127.1,0.185483);(128.1,0.713029);(129.1,0.625592);(130.05,6.968036);(131.1,2.040309);(132.05,0.732601);(133.05,0.248225);(134.0,0.278407);(135.0,0.112863);(136.1,0.097314);(137.1,3.041256);(138.05,0.472487);(139.1,0.050121);(140.1,0.04317);(141.1,0.095302);(142.1,0.413952);(143.1,1.042288);(144.1,1.181308);(145.05,0.663457);(146.1,2.739252);(147.1,1.005155);(148.1,0.434256);(149.1,0.125484);(150.1,0.029085);(151.1,0.054328);(152.1,0.024512);(153.1,0.042072);(154.1,0.077925);(155.1,0.078839);(156.05,0.205421);(157.0,0.102253);(158.1,0.783271);(159.15,0.241274);(160.1,1.064604);(161.1,0.154752);(162.1,0.105546);(163.1,0.018658);(164.1,0.012073);(165.1,0.026524);(167.1,0.014817);(168.1,0.018292);(169.1,0.119814);(170.1,0.210909);(171.1,0.10079);(172.05,1.337158);(173.15,0.844367);(174.1,100.0);(175.1,17.644078);(176.1,7.894718);(177.1,0.977716);(178.1,0.221701);(179.05,0.670225);(180.1,0.088534);(181.1,0.021219);(182.1,0.04134);(183.1,0.039328);(184.0,0.346637);(185.0,0.077925);(186.05,0.48712);(187.0,0.198287);(188.05,1.333133);(189.0,0.2592);(190.0,0.161703);(191.0,0.132984);(192.0,0.054328);(193.0,0.033841);(195.0,0.024694);(196.0,0.024694);(197.0,0.027621);(198.0,0.058352);(199.0,0.281334);(200.05,0.340417);(201.05,4.055191);(202.05,0.978082);(203.0,0.329625);(204.0,0.186946);(205.0,0.061096);(206.0,0.022316);(207.0,0.347185);(208.0,0.074449);(209.0,0.057437);(210.0,0.015731);(211.0,0.019756);(212.0,0.027072);(213.0,0.058169);(214.05,0.238347);(215.05,2.657304);(216.0,0.581691);(217.05,0.256456);(218.0,0.074998);(219.0,0.122558);(220.0,0.001463);(221.0,0.038779);(222.0,0.002378);(223.0,0.022134);(225.0,0.019756);(226.0,0.029999);(227.0,0.021768);(228.0,0.039145);(229.0,0.077925);(230.0,0.040243);(231.0,0.07573);(232.0,0.044084);(233.0,0.017378);(234.0,0.002012);(235.0,0.00439);(237.0,0.014451);(238.0,0.010975);(239.0,0.017195);(240.0,0.018292);(241.0,0.017926);(242.0,0.008963);(243.0,0.024694);(244.0,0.044633);(245.0,0.015914);(246.0,0.029633);(247.0,0.013902);(249.0,0.031828);(250.0,0.014451);(251.0,0.010609);(252.0,0.013353);(253.0,0.048108);(254.0,0.012073);(255.0,0.041706);(256.0,0.033292);(257.0,0.033475);(258.0,0.038414);(259.0,0.062193);(260.0,0.060364);(261.0,0.021219);(262.0,0.023231);(263.0,0.007683);(264.0,0.020853);(265.0,0.038414);(266.0,0.008597);(267.0,0.041157);(268.0,0.026158);(269.0,0.02506);(270.0,0.008963);(271.0,0.038414);(272.0,0.023048);(273.0,0.113777);(274.0,0.04134);(275.0,0.015731);(276.0,0.016463);(277.0,0.013353);(278.0,0.007683);(279.0,0.002378);(280.0,0.009512);(281.0,0.184568);(282.0,0.044999);(283.0,0.049023);(284.0,0.024146);(285.0,0.012439);(286.0,0.049938);(287.15,0.28737);(288.1,0.126216);(289.15,4.164395);(290.05,1.210942);(291.05,0.502852);(292.1,0.10957);(293.1,0.09329);(294.1,0.026158);(295.1,0.011341);(296.1,0.026707);(297.1,0.010609);(298.1,0.001098);(299.1,0.015365);(300.1,0.020853);(301.1,0.014817);(302.1,0.018658);(303.1,0.0964);(304.1,0.281334);(305.1,0.111033);(306.1,0.026158);(307.1,0.023048);(308.1,0.110851);(309.1,0.025975);(310.1,0.007683);(311.1,0.012987);(312.1,0.015731);(313.1,0.005488);(314.1,0.006219);(315.1,0.02817);(316.1,0.012073);(317.1,0.01189);(318.1,0.001829);(320.1,0.015731);(321.1,0.006585);(323.1,0.023048);(325.1,0.020121);(326.1,0.004024);(327.1,0.023048);(328.1,0.006585);(329.1,0.012987);(330.1,0.009878);(331.1,0.031828);(332.1,0.009878);(333.1,0.017926);(334.1,0.005305);(336.1,0.009146);(337.1,0.011341);(338.1,0.015365);(339.1,0.010061);(340.1,0.008414);(341.1,0.032926);(342.1,0.009512);(343.1,0.018841);(344.1,0.002378);(345.1,0.022682);(346.1,0.018292);(348.1,0.017926);(349.1,0.005305);(351.1,0.009146);(352.1,0.026524);(353.1,0.003841);(354.1,0.022316);(355.1,0.016463);(356.1,0.005305);(357.1,0.023597);(358.1,0.018292);(359.1,0.026158);(360.1,0.025609);(361.1,0.015);(362.1,0.016829);(363.1,0.012987);(364.1,0.013902);(366.1,0.0075);(369.1,0.021219);(370.1,0.006951);(371.1,0.030914);(372.1,0.049389);(373.1,0.048108);(374.1,0.025975);(375.1,0.008963);(376.1,0.011341);(377.1,0.016829);(378.1,0.007134);(379.1,0.008049);(380.1,0.011341);(381.1,0.0075);(382.1,0.005305);(383.1,0.003293);(384.1,0.012987);(387.1,0.005305);(389.1,0.02817);(390.1,0.016463);(391.1,0.014451);(393.1,0.010975);(394.1,0.017926);(395.1,0.012805);(396.1,0.006036);(397.1,0.004939);(398.1,0.01628);(399.1,0.009878);(401.1,0.003476);(402.1,0.006036);(404.1,0.011341);(405.1,0.03256);(406.1,0.004024);(409.1,0.015365);(410.1,0.018292);(411.1,0.0075);(412.1,0.002561);(413.1,0.000366);(414.1,0.008414);(416.1,0.020121);(417.1,0.015365);(418.1,0.011341);(419.1,0.001463);(420.1,0.006219);(421.1,0.003841);(424.1,0.002927);(425.1,0.017743);(426.1,0.045182);(427.1,0.008414);(428.1,0.008597);(429.1,0.013353);(431.1,0.010975);(432.1,0.010061);(433.1,0.012805);(434.1,0.006951);(435.1,0.009878);(436.1,0.009512);(437.1,0.007683);(438.1,0.002378);(439.1,0.017926);(440.1,0.025975);(441.1,0.002012);(442.1,0.011341);(443.1,0.00439);(444.1,0.010061);(445.1,0.0075);(446.1,0.004939);(447.1,0.006951);(448.1,0.010975);(449.1,0.003841);(450.1,0.014817);(451.1,0.008414);(452.1,0.002561);(453.1,0.005671);(454.1,0.001098);(455.1,0.022682);(456.1,0.004756);(457.1,0.004939);(458.1,0.002378);(459.1,0.014268);(460.1,0.010061);(461.1,0.08012);(462.1,0.037316);(463.1,0.017926);(464.1,0.012805);(465.1,0.014268);(466.1,0.092375);(467.1,0.017743);(468.1,0.02067);(469.1,0.010061);(470.1,0.015365);(471.1,0.017926);(472.1,0.009512);(475.1,0.008414);(476.1,0.018658);(477.1,0.064206);(478.1,0.044267);(479.1,0.031828);(480.1,0.001098);(481.1,0.026158);(483.1,0.008597);(484.1,0.012439);(486.1,0.009878);(489.1,0.002927);(490.1,0.012073);(491.1,0.002378);(492.1,0.002012);(494.1,0.01628);(497.1,0.007134);(498.1,0.016829);(499.1,0.010427) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (83.0,0.3003);(84.0,1.301301);(85.0,1.401401);(86.0,61.661662);(87.0,6.506507);(88.0,2.802803);(89.0,1.801802);(90.0,1.001001);(91.0,1.001001);(92.0,0.2002);(93.0,0.1001);(97.0,0.1001);(98.0,0.2002);(99.0,0.900901);(100.0,30.530531);(101.0,6.706707);(102.0,8.408408);(103.0,9.80981);(104.0,1.301301);(105.0,0.4004);(106.0,0.1001);(107.0,0.1001);(113.0,1.101101);(114.0,1.301301);(115.0,5.105105);(116.0,4.204204);(117.0,6.906907);(118.0,1.201201);(119.0,0.600601);(120.0,0.2002);(121.0,0.1001);(127.0,0.500501);(128.0,3.703704);(129.0,2.902903);(130.0,33.733734);(131.0,6.706707);(132.0,1.801802);(133.0,0.500501);(134.0,0.900901);(135.0,0.2002);(136.0,0.1001);(137.0,3.503504);(138.0,0.4004);(140.0,0.2002);(141.0,0.2002);(142.0,1.201201);(143.0,3.003003);(144.0,3.803804);(145.0,1.401401);(146.0,7.807808);(147.0,1.401401);(148.0,0.900901);(149.0,0.1001);(154.0,0.1001);(155.0,0.2002);(156.0,0.500501);(157.0,0.1001);(158.0,1.401401);(159.0,0.4004);(160.0,1.601602);(161.0,0.3003);(162.0,0.1001);(169.0,0.1001);(170.0,0.4004);(171.0,0.2002);(172.0,1.901902);(173.0,0.600601);(174.0,100.0);(175.0,19.71972);(176.0,9.209209);(177.0,1.101101);(178.0,0.2002);(184.0,0.700701);(185.0,0.2002);(186.0,0.900901);(187.0,0.4004);(188.0,3.003003);(189.0,0.600601);(190.0,0.3003);(198.0,0.1001);(199.0,0.500501);(200.0,0.500501);(201.0,5.405405);(202.0,1.201201);(203.0,0.4004);(204.0,0.1001);(213.0,0.1001);(214.0,0.4004);(215.0,4.404404);(216.0,0.900901);(217.0,0.2002);(287.0,0.3003);(288.0,0.1001);(289.0,3.503504);(290.0,0.900901);(291.0,0.3003);(303.0,0.1001);(304.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (83.0,0.2002);(84.0,0.900901);(85.0,0.700701);(86.0,34.234234);(87.0,3.503504);(88.0,1.401401);(89.0,0.3003);(90.0,0.1001);(91.0,0.2002);(93.0,0.1001);(98.0,0.1001);(99.0,0.4004);(100.0,16.516517);(101.0,3.203203);(102.0,2.802803);(103.0,0.900901);(104.0,0.2002);(105.0,0.4004);(106.0,0.1001);(113.0,0.500501);(114.0,0.600601);(115.0,1.501502);(116.0,2.102102);(117.0,3.203203);(118.0,0.600601);(119.0,0.500501);(120.0,0.1001);(127.0,0.1001);(128.0,0.4004);(129.0,1.101101);(130.0,7.007007);(131.0,2.602603);(132.0,0.900901);(133.0,0.3003);(134.0,0.2002);(135.0,0.1001);(141.0,0.1001);(142.0,0.2002);(143.0,0.600601);(144.0,1.601602);(145.0,2.102102);(146.0,2.302302);(147.0,0.500501);(148.0,0.2002);(154.0,0.1001);(156.0,0.500501);(157.0,0.1001);(158.0,1.001001);(159.0,0.4004);(160.0,0.700701);(161.0,0.1001);(169.0,0.2002);(170.0,0.800801);(171.0,0.2002);(172.0,2.002002);(173.0,1.501502);(174.0,100.0);(175.0,19.71972);(176.0,8.808809);(177.0,1.101101);(178.0,0.2002);(182.0,0.1001);(184.0,0.600601);(185.0,0.2002);(186.0,1.401401);(187.0,0.4004);(188.0,0.500501);(189.0,0.1001);(198.0,0.1001);(199.0,0.4004);(200.0,1.101101);(201.0,0.3003);(202.0,4.604605);(203.0,1.101101);(204.0,0.3003);(213.0,0.1001);(214.0,0.500501);(215.0,0.500501);(216.0,0.3003);(217.0,0.1001);(230.0,0.1001);(244.0,0.1001);(245.0,0.1001);(246.0,0.3003);(247.0,0.1001);(257.0,0.1001);(258.0,0.1001);(260.0,0.1001);(271.0,0.1001);(272.0,0.1001);(273.0,3.003003);(274.0,0.800801);(275.0,0.3003);(287.0,0.600601);(288.0,0.1001);(361.0,1.001001);(362.0,0.3003);(363.0,0.1001);(376.0,0.2002);(377.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,1.001001);(86.0,46.546547);(87.0,4.704705);(88.0,2.002002);(89.0,1.201201);(90.0,0.600601);(91.0,0.700701);(92.0,0.2002);(93.0,0.1001);(98.0,0.1001);(99.0,0.600601);(100.0,21.121121);(101.0,4.304304);(102.0,6.206206);(103.0,5.205205);(104.0,0.800801);(105.0,0.3003);(113.0,0.700701);(114.0,0.800801);(115.0,3.403403);(116.0,2.802803);(117.0,4.704705);(118.0,0.900901);(119.0,0.500501);(120.0,0.2002);(127.0,0.4004);(128.0,2.002002);(129.0,1.701702);(130.0,20.520521);(131.0,4.704705);(132.0,1.401401);(133.0,0.4004);(134.0,0.700701);(135.0,0.2002);(136.0,0.1001);(137.0,3.303303);(138.0,0.4004);(140.0,0.1001);(141.0,0.1001);(142.0,0.900901);(143.0,2.302302);(144.0,2.702703);(145.0,1.201201);(146.0,4.304304);(147.0,0.900901);(148.0,0.700701);(149.0,0.1001);(154.0,0.1001);(155.0,0.2002);(156.0,0.500501);(157.0,0.1001);(158.0,1.301301);(159.0,0.4004);(160.0,1.701702);(161.0,0.3003);(162.0,0.1001);(169.0,0.1001);(170.0,0.500501);(171.0,0.2002);(172.0,1.901902);(173.0,0.700701);(174.0,100.0);(175.0,18.818819);(176.0,8.408408);(177.0,1.001001);(178.0,0.2002);(184.0,0.600601);(185.0,0.2002);(186.0,0.800801);(187.0,0.3003);(188.0,2.402402);(189.0,0.500501);(190.0,0.2002);(199.0,0.4004);(200.0,0.4004);(201.0,3.603604);(202.0,0.900901);(203.0,0.3003);(214.0,0.4004);(215.0,2.902903);(216.0,0.700701);(217.0,0.2002);(287.0,0.2002);(288.0,0.1001);(289.0,2.602603);(290.0,0.800801);(291.0,0.3003);(304.0,0.2002) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,2.202202);(61.0,1.001001);(62.0,0.3003);(63.0,1.001001);(64.0,0.2002);(65.0,0.600601);(66.0,0.1001);(67.0,0.1001);(69.0,0.1001);(70.0,1.201201);(71.0,0.900901);(72.0,2.402402);(73.0,98.798799);(74.0,9.309309);(75.0,3.303303);(76.0,1.501502);(77.0,8.808809);(78.0,0.900901);(79.0,0.2002);(83.0,0.2002);(84.0,0.600601);(85.0,0.900901);(86.0,50.15015);(87.0,4.604605);(88.0,2.002002);(89.0,1.101101);(90.0,0.600601);(91.0,0.600601);(92.0,0.1001);(93.0,0.1001);(98.0,0.1001);(99.0,0.500501);(100.0,22.322322);(101.0,4.304304);(102.0,5.805806);(103.0,6.006006);(104.0,0.800801);(105.0,0.2002);(113.0,0.600601);(114.0,0.700701);(115.0,3.403403);(116.0,2.702703);(117.0,4.704705);(118.0,0.800801);(119.0,0.4004);(120.0,0.2002);(127.0,0.4004);(128.0,2.302302);(129.0,1.701702);(130.0,21.521522);(131.0,4.504505);(132.0,1.201201);(133.0,0.3003);(134.0,0.600601);(135.0,0.1001);(136.0,0.1001);(137.0,3.403403);(138.0,0.3003);(140.0,0.1001);(141.0,0.1001);(142.0,0.800801);(143.0,2.002002);(144.0,2.702703);(145.0,1.001001);(146.0,3.503504);(147.0,0.700701);(148.0,0.500501);(149.0,0.1001);(154.0,0.1001);(155.0,0.1001);(156.0,0.3003);(157.0,0.1001);(158.0,1.201201);(159.0,0.4004);(160.0,1.501502);(161.0,0.2002);(162.0,0.1001);(170.0,0.3003);(171.0,0.1001);(172.0,1.601602);(173.0,0.500501);(174.0,100.0);(175.0,18.818819);(176.0,9.009009);(177.0,1.001001);(178.0,0.1001);(184.0,0.4004);(185.0,0.1001);(186.0,0.600601);(187.0,0.2002);(188.0,2.002002);(189.0,0.4004);(190.0,0.2002);(199.0,0.3003);(200.0,0.3003);(201.0,3.803804);(202.0,0.800801);(203.0,0.2002);(214.0,0.3003);(215.0,2.902903);(216.0,0.600601);(217.0,0.1001);(287.0,0.2002);(289.0,3.203203);(290.0,0.800801);(291.0,0.3003);(304.0,0.3003);(305.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,1.101101);(61.0,0.4004);(63.0,0.1001);(65.0,0.1001);(67.0,0.1001);(70.0,0.700701);(71.0,0.500501);(72.0,1.601602);(73.0,100.0);(74.0,8.508509);(75.0,2.702703);(76.0,0.3003);(77.0,0.600601);(78.0,0.1001);(79.0,0.1001);(83.0,0.1001);(84.0,0.500501);(85.0,0.4004);(86.0,22.022022);(87.0,2.102102);(88.0,0.800801);(89.0,0.2002);(91.0,0.1001);(93.0,0.1001);(99.0,0.2002);(100.0,10.21021);(101.0,1.801802);(102.0,1.701702);(103.0,0.500501);(104.0,0.1001);(105.0,0.2002);(113.0,0.2002);(114.0,0.2002);(115.0,0.900901);(116.0,1.201201);(117.0,2.002002);(118.0,0.4004);(119.0,0.3003);(120.0,0.1001);(128.0,0.2002);(129.0,0.600601);(130.0,4.204204);(131.0,1.701702);(132.0,0.600601);(133.0,0.2002);(134.0,0.1001);(142.0,0.1001);(143.0,0.4004);(144.0,1.101101);(145.0,1.401401);(146.0,1.101101);(147.0,0.2002);(148.0,0.1001);(156.0,0.3003);(157.0,0.1001);(158.0,0.900901);(159.0,0.3003);(160.0,0.500501);(161.0,0.1001);(169.0,0.1001);(170.0,0.500501);(171.0,0.1001);(172.0,1.401401);(173.0,1.301301);(174.0,88.688689);(175.0,16.416416);(176.0,7.807808);(177.0,0.900901);(178.0,0.1001);(184.0,0.4004);(185.0,0.1001);(186.0,0.800801);(187.0,0.3003);(188.0,0.3003);(198.0,0.1001);(199.0,0.3003);(200.0,0.700701);(201.0,0.1001);(202.0,3.103103);(203.0,0.800801);(204.0,0.2002);(213.0,0.1001);(214.0,0.3003);(215.0,0.3003);(216.0,0.2002);(244.0,0.1001);(246.0,0.2002);(258.0,0.1001);(273.0,2.302302);(274.0,0.600601);(275.0,0.2002);(287.0,0.4004);(288.0,0.1001);(361.0,1.001001);(362.0,0.3003);(363.0,0.1001);(376.0,0.500501);(377.0,0.2002) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.019);(71.0,0.037);(72.0,0.027);(76.0,0.015);(77.0,0.046);(78.0,0.012);(79.0,0.047);(83.0,0.011);(84.0,0.013);(85.0,0.03);(86.0,0.295);(87.0,0.028);(88.0,0.014);(89.0,0.009);(90.0,0.005);(91.0,0.023);(93.0,0.021);(99.0,0.013);(100.0,0.144);(101.0,0.025);(102.0,0.026);(103.0,0.047);(104.0,0.008);(105.0,0.008);(113.0,0.012);(114.0,0.007);(115.0,0.017);(116.0,0.021);(117.0,0.04);(118.0,0.007);(119.0,0.007);(120.0,0.004);(127.0,0.006);(128.0,0.011);(129.0,0.024);(130.0,0.101);(131.0,0.031);(132.0,0.01);(133.0,0.005);(134.0,0.005);(143.0,0.011);(144.0,0.019);(145.0,0.018);(146.0,0.019);(156.0,0.005);(157.0,0.001);(158.0,0.012);(159.0,0.004);(160.0,0.009);(161.0,0.003);(170.0,0.006);(171.0,0.002);(172.0,0.018);(173.0,0.013);(174.0,1.0);(175.0,0.213);(176.0,0.096);(177.0,0.012);(178.0,0.005);(179.0,0.002);(181.0,0.001);(182.0,0.003);(183.0,0.003);(184.0,0.007);(185.0,0.003);(186.0,0.014);(187.0,0.005);(188.0,0.013);(189.0,0.004);(190.0,0.003);(198.0,0.002);(199.0,0.005);(200.0,0.009);(201.0,0.016);(202.0,0.04);(203.0,0.01);(204.0,0.005);(213.0,0.001);(214.0,0.005);(215.0,0.014);(216.0,0.006);(217.0,0.003);(230.0,0.002);(273.0,0.035);(274.0,0.013);(275.0,0.005);(287.0,0.009);(288.0,0.002);(289.0,0.012);(361.0,0.029);(362.0,0.011);(363.0,0.006);(376.0,0.01);(377.0,0.005) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.015);(71.0,0.01);(72.0,0.026);(76.0,0.016);(77.0,0.093);(78.0,0.01);(79.0,0.002);(81.0,0.001);(83.0,0.002);(84.0,0.006);(85.0,0.009);(86.0,0.419);(87.0,0.04);(88.0,0.017);(89.0,0.012);(90.0,0.007);(91.0,0.007);(99.0,0.006);(100.0,0.206);(101.0,0.041);(102.0,0.052);(103.0,0.061);(104.0,0.009);(105.0,0.002);(113.0,0.008);(114.0,0.009);(115.0,0.034);(116.0,0.029);(117.0,0.048);(118.0,0.008);(119.0,0.004);(120.0,0.002);(127.0,0.003);(128.0,0.022);(129.0,0.017);(130.0,0.248);(131.0,0.046);(132.0,0.013);(133.0,0.003);(134.0,0.007);(135.0,0.001);(137.0,0.031);(138.0,0.003);(141.0,0.002);(142.0,0.007);(143.0,0.02);(144.0,0.029);(145.0,0.011);(146.0,0.049);(155.0,0.001);(156.0,0.004);(157.0,0.001);(158.0,0.015);(159.0,0.004);(160.0,0.016);(161.0,0.004);(162.0,0.001);(170.0,0.004);(171.0,0.001);(172.0,0.019);(174.0,1.0);(175.0,0.214);(176.0,0.097);(177.0,0.012);(178.0,0.002);(184.0,0.005);(185.0,0.001);(186.0,0.008);(187.0,0.003);(188.0,0.025);(189.0,0.004);(190.0,0.002);(199.0,0.003);(200.0,0.003);(201.0,0.039);(202.0,0.009);(203.0,0.002);(204.0,0.001);(213.0,0.001);(214.0,0.003);(215.0,0.032);(216.0,0.007);(217.0,0.002);(273.0,0.001);(287.0,0.003);(289.0,0.04);(290.0,0.011);(291.0,0.004);(292.0,0.001);(304.0,0.002) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.019);(71.0,0.037);(72.0,0.027);(76.0,0.015);(77.0,0.046);(78.0,0.012);(79.0,0.047);(83.0,0.011);(84.0,0.013);(85.0,0.03);(86.0,0.295);(87.0,0.028);(88.0,0.014);(89.0,0.009);(90.0,0.005);(91.0,0.023);(93.0,0.021);(99.0,0.013);(100.0,0.144);(101.0,0.025);(102.0,0.026);(103.0,0.047);(104.0,0.008);(105.0,0.008);(113.0,0.012);(114.0,0.007);(115.0,0.017);(116.0,0.021);(117.0,0.04);(118.0,0.007);(119.0,0.007);(120.0,0.004);(127.0,0.006);(128.0,0.011);(129.0,0.024);(130.0,0.101);(131.0,0.031);(132.0,0.01);(133.0,0.005);(134.0,0.005);(143.0,0.011);(144.0,0.019);(145.0,0.018);(146.0,0.019);(156.0,0.005);(157.0,0.001);(158.0,0.012);(159.0,0.004);(160.0,0.009);(161.0,0.003);(170.0,0.006);(171.0,0.002);(172.0,0.018);(173.0,0.013);(174.0,1.0);(175.0,0.213);(176.0,0.096);(177.0,0.012);(178.0,0.005);(179.0,0.002);(181.0,0.001);(182.0,0.003);(183.0,0.003);(184.0,0.007);(185.0,0.003);(186.0,0.014);(187.0,0.005);(188.0,0.013);(189.0,0.004);(190.0,0.003);(198.0,0.002);(199.0,0.005);(200.0,0.009);(201.0,0.016);(202.0,0.04);(203.0,0.01);(204.0,0.005);(213.0,0.001);(214.0,0.005);(215.0,0.014);(216.0,0.006);(217.0,0.003);(230.0,0.002);(273.0,0.035);(274.0,0.013);(275.0,0.005);(287.0,0.009);(288.0,0.002);(289.0,0.012);(361.0,0.029);(362.0,0.011);(363.0,0.006);(376.0,0.01);(377.0,0.005) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.015);(71.0,0.01);(72.0,0.026);(76.0,0.016);(77.0,0.093);(78.0,0.01);(79.0,0.002);(81.0,0.001);(83.0,0.002);(84.0,0.006);(85.0,0.009);(86.0,0.419);(87.0,0.04);(88.0,0.017);(89.0,0.012);(90.0,0.007);(91.0,0.007);(99.0,0.006);(100.0,0.206);(101.0,0.041);(102.0,0.052);(103.0,0.061);(104.0,0.009);(105.0,0.002);(113.0,0.008);(114.0,0.009);(115.0,0.034);(116.0,0.029);(117.0,0.048);(118.0,0.008);(119.0,0.004);(120.0,0.002);(127.0,0.003);(128.0,0.022);(129.0,0.017);(130.0,0.248);(131.0,0.046);(132.0,0.013);(133.0,0.003);(134.0,0.007);(135.0,0.001);(137.0,0.031);(138.0,0.003);(141.0,0.002);(142.0,0.007);(143.0,0.02);(144.0,0.029);(145.0,0.011);(146.0,0.049);(155.0,0.001);(156.0,0.004);(157.0,0.001);(158.0,0.015);(159.0,0.004);(160.0,0.016);(161.0,0.004);(162.0,0.001);(170.0,0.004);(171.0,0.001);(172.0,0.019);(174.0,1.0);(175.0,0.214);(176.0,0.097);(177.0,0.012);(178.0,0.002);(184.0,0.005);(185.0,0.001);(186.0,0.008);(187.0,0.003);(188.0,0.025);(189.0,0.004);(190.0,0.002);(199.0,0.003);(200.0,0.003);(201.0,0.039);(202.0,0.009);(203.0,0.002);(204.0,0.001);(213.0,0.001);(214.0,0.003);(215.0,0.032);(216.0,0.007);(217.0,0.002);(273.0,0.001);(287.0,0.003);(289.0,0.04);(290.0,0.011);(291.0,0.004);(292.0,0.001);(304.0,0.002) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (26.00252462,1.056975629);(28.01817382,5.351050905);(29.02599842,0.8713659957);(30.03382302,30.32686036);(31.04164762,1.394791278);(32.04947222,1.482147696);(39.02292522,0.8013344887);(44.04947222,0.8169914836);(51.02292522,0.8344785344);(103.0542236,2.090166592);(117.0572968,1.95610504);(118.0525454,1.075054836);(118.0651214,0.8888679669);(119.06037,0.9566369846);(120.0681946,0.7919512223);(129.0572968,3.447724291);(130.0525454,1.393115455);(130.0651214,6.774323264);(131.06037,0.9674933616);(131.072946,3.836180255);(132.0681946,1.854009344);(132.0807706,4.823970275);(133.0885952,3.572055074);(134.0838438,1.423007137);(134.0964198,1.78777124);(143.072946,2.581690894);(144.0681946,2.50615745);(144.0807706,3.435708673);(145.0760192,3.095285142);(159.0916684,1.933188207);(160.099493,5.87354092) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (26.00252462,1.543620619);(28.01817382,5.504062089);(29.02599842,0.6679285647);(30.03382302,30.94578754);(31.04164762,1.396941946);(32.04947222,1.308848493);(51.02292522,0.6212444103);(93.05729682,0.7294973314);(102.033823,0.5704510793);(104.0494722,0.6178097265);(117.0572968,1.258634048);(118.0525454,0.7386866105);(118.0651214,0.5719322143);(119.06037,0.7039432262);(120.0681946,0.5482923772);(129.0572968,2.072615068);(130.0525454,0.6330609344);(130.0651214,4.302203446);(131.06037,0.5913500658);(131.072946,2.45755925);(132.0681946,1.231255579);(132.0807706,2.542006656);(133.0885952,1.814396093);(134.0838438,0.8892296856);(134.0964198,0.8710861117);(143.072946,1.379183936);(144.0681946,1.57096553);(144.0807706,2.489654749);(145.0760192,1.930023779);(159.0916684,2.486833023);(160.099493,3.442253617) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (91.105,3.594);(115.066,8.938);(117.049,42.5);(127.075,19.0);(128.246,3.25);(132.017,7.25);(161.001,100.0) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (77.122,4.317);(91.058,11.727);(103.058,4.51);(115.058,21.907);(117.003,45.619);(127.067,26.804);(128.3,4.381);(143.089,9.987);(143.643,100.0) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (65.2,13.5);(77.137,40.167);(89.145,15.833);(90.691,100.0);(101.09,6.167);(115.035,80.667);(116.901,58.0);(126.77,13.333);(142.589,34.333);(144.33,7.625) | | LC-MS/MS | EI-B (MX-1303) | Positive | Not Available | View Spectrum | (39.0,0.035035035);(41.0,0.022022022);(43.0,0.012012012);(50.0,0.002002002);(51.0,0.046046046);(52.0,0.02002002);(55.0,0.014014014);(62.0,0.001001001);(63.0,0.029029029);(64.0,0.012012012);(65.0,0.02002002);(74.0,0.002002002);(75.0,0.027027027);(76.0,0.031031031);(77.0,0.1551551552);(78.0,0.003003003);(79.0,0.012012012);(89.0,0.026026026);(90.0,0.022022022);(91.0,0.001001001);(93.0,0.014014014);(102.0,0.0530530531);(103.0,0.1291291291);(104.0,0.002002002);(115.0,0.037037037);(116.0,0.014014014);(117.0,0.041041041);(128.0,0.005005005);(129.0,0.039039039);(130.0,1.0);(131.0,0.6026026026);(132.0,0.006006006);(142.0,0.014014014);(143.0,0.044044044);(144.0,0.1131131131);(145.0,0.004004004);(155.0,0.012012012);(156.0,0.011011011);(158.0,0.016016016);(160.0,0.012012012);(161.0,0.016016016) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (60.9,0.001001001);(63.3,0.001001001);(73.6,0.001001001);(82.9,0.001001001);(85.1,0.001001001);(86.9,0.001001001);(89.0,0.001001001);(98.9,0.001001001);(99.2,0.001001001);(102.4,0.001001001);(104.8,0.001001001);(110.8,0.001001001);(115.1,0.001001001);(115.9,0.001001001);(117.1,0.002002002);(118.2,0.001001001);(125.7,0.001001001);(126.7,0.001001001);(128.9,0.011011011);(132.2,0.001001001);(143.3,0.002002002);(144.1,1.0);(161.1,0.3823823824) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (63.3,0.001001001);(69.3,0.001001001);(72.0,0.001001001);(80.9,0.001001001);(82.8,0.001001001);(85.9,0.001001001);(87.2,0.001001001);(91.1,0.001001001);(97.1,0.001001001);(98.2,0.001001001);(98.9,0.002002002);(100.7,0.001001001);(103.0,0.001001001);(104.0,0.001001001);(111.2,0.001001001);(112.0,0.001001001);(113.4,0.001001001);(115.1,0.003003003);(116.1,0.001001001);(117.1,0.025025025);(118.4,0.001001001);(126.3,0.001001001);(127.0,0.006006006);(128.0,0.002002002);(129.0,0.013013013);(131.9,0.003003003);(141.9,0.001001001);(143.3,0.014014014);(144.2,1.0);(144.7,0.003003003);(146.0,0.001001001);(161.1,0.003003003);(201.6,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (40.6,0.001001001);(56.0,0.001001001);(56.2,0.001001001);(59.0,0.001001001);(64.6,0.001001001);(66.0,0.004004004);(67.0,0.001001001);(69.1,0.001001001);(71.8,0.008008008);(74.2,0.001001001);(77.0,0.006006006);(78.1,0.001001001);(79.1,0.001001001);(80.1,0.001001001);(80.7,0.001001001);(82.0,0.001001001);(83.2,0.001001001);(84.3,0.001001001);(89.8,0.001001001);(91.1,0.046046046);(95.1,0.001001001);(98.2,0.001001001);(99.0,0.008008008);(100.7,0.001001001);(101.3,0.001001001);(103.2,0.023023023);(104.2,0.003003003);(105.0,0.001001001);(111.2,0.001001001);(112.3,0.001001001);(113.0,0.001001001);(115.3,0.1141141141);(116.2,0.024024024);(117.2,0.4924924925);(118.2,0.017017017);(125.8,0.001001001);(127.0,0.1361361361);(128.2,0.0510510511);(129.1,0.012012012);(129.8,0.001001001);(132.1,0.008008008);(133.2,0.001001001);(134.1,0.001001001);(140.2,0.001001001);(142.2,0.013013013);(143.1,0.2742742743);(144.2,1.0);(145.2,0.029029029);(146.3,0.004004004);(155.2,0.001001001);(161.3,0.002002002) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.8,0.002002002);(40.7,0.001001001);(42.1,0.001001001);(50.6,0.001001001);(54.1,0.001001001);(57.0,0.001001001);(65.0,0.013013013);(66.0,0.023023023);(67.1,0.015015015);(67.7,0.003003003);(70.7,0.001001001);(72.1,0.019019019);(77.0,0.1471471471);(77.9,0.009009009);(79.1,0.004004004);(80.1,0.001001001);(81.1,0.005005005);(82.1,0.001001001);(83.8,0.001001001);(88.7,0.004004004);(89.0,0.025025025);(90.0,0.03003003);(91.0,0.5505505506);(93.0,0.002002002);(93.3,0.001001001);(95.0,0.01001001);(97.1,0.001001001);(98.9,0.003003003);(101.2,0.02002002);(101.8,0.018018018);(103.1,0.0830830831);(104.0,0.012012012);(105.2,0.006006006);(106.1,0.002002002);(110.9,0.001001001);(115.3,0.7347347347);(116.2,0.1571571572);(117.1,1.0);(118.2,0.037037037);(119.1,0.002002002);(125.1,0.001001001);(126.2,0.018018018);(127.1,0.3133133133);(128.0,0.1381381381);(128.9,0.034034034);(130.0,0.004004004);(131.1,0.003003003);(132.1,0.004004004);(133.8,0.004004004);(135.7,0.001001001);(138.9,0.001001001);(141.0,0.003003003);(142.1,0.0790790791);(142.9,0.7347347347);(144.2,0.2922922923);(145.3,0.04004004);(146.0,0.005005005);(154.8,0.003003003);(160.3,0.001001001);(161.1,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.9,0.008008008);(40.9,0.002002002);(42.1,0.003003003);(51.2,0.011011011);(54.3,0.003003003);(55.5,0.002002002);(59.8,0.001001001);(62.9,0.007007007);(65.0,0.1121121121);(66.2,0.011011011);(66.9,0.026026026);(67.9,0.002002002);(71.9,0.015015015);(75.1,0.014014014);(76.6,0.022022022);(77.0,0.3993993994);(78.0,0.032032032);(79.2,0.006006006);(79.7,0.002002002);(81.2,0.007007007);(89.0,0.2372372372);(90.2,0.3163163163);(91.1,1.0);(93.4,0.005005005);(95.1,0.025025025);(101.2,0.0550550551);(101.9,0.0530530531);(103.2,0.045045045);(104.9,0.003003003);(114.4,0.007007007);(115.3,0.8858858859);(116.2,0.1751751752);(117.2,0.7647647648);(118.3,0.011011011);(119.0,0.004004004);(126.1,0.047047047);(127.1,0.1271271271);(128.3,0.0920920921);(129.0,0.026026026);(130.1,0.007007007);(140.2,0.002002002);(141.3,0.011011011);(142.1,0.1511511512);(142.9,0.3063063063);(144.2,0.026026026);(145.1,0.011011011);(155.6,0.004004004) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (72.908104,0.35814);(92.843907,0.446057);(94.850383,4.405577);(95.809554,0.093929);(96.816669,15.393286);(98.837097,0.098624);(108.834993,0.136176);(110.839023,0.120845);(112.909669,0.11746);(114.901772,0.38644);(128.903729,6.992601);(129.962749,1.526503);(130.833336,0.195801);(131.083336,0.237122);(131.920514,0.203138);(140.877906,0.379391);(141.785166,0.088594);(142.987885,0.252956);(143.828201,1.706674);(158.966518,1.160975) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (60.9,0.006575);(63.3,0.013151);(73.6,0.006575);(82.9,0.029589);(85.1,0.009863);(86.9,0.023014);(89.0,0.014795);(98.9,0.008219);(99.2,0.004932);(102.4,0.011507);(104.8,0.009863);(110.8,0.023014);(115.1,0.046028);(115.9,0.009863);(117.1,0.161097);(118.2,0.050959);(125.7,0.036165);(126.7,0.072329);(128.9,1.130965);(132.2,0.078905);(143.3,0.210412);(144.1,100.0);(161.1,38.212812) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (63.3,0.011521);(69.3,0.026881);(72.0,0.048002);(80.9,0.011521);(82.8,0.013441);(85.9,0.0096);(87.2,0.017281);(91.1,0.072963);(97.1,0.011521);(98.2,0.040322);(98.9,0.249611);(100.7,0.057603);(103.0,0.040322);(104.0,0.011521);(111.2,0.011521);(112.0,0.0096);(113.4,0.013441);(115.1,0.326415);(116.1,0.078724);(117.1,2.471151);(118.4,0.097924);(126.3,0.097924);(127.0,0.551065);(128.0,0.161287);(129.0,1.34022);(131.9,0.274572);(141.9,0.055682);(143.3,1.390142);(144.2,100.0);(144.7,0.274572);(146.0,0.048002);(161.1,0.278412);(201.6,0.00576) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (40.6,0.01954);(56.0,0.034195);(56.2,0.02931);(59.0,0.068389);(64.6,0.024425);(66.0,0.429876);(67.0,0.112354);(69.1,0.073274);(71.8,0.820673);(74.2,0.024425);(77.0,0.60085);(78.1,0.122124);(79.1,0.097699);(80.1,0.02931);(80.7,0.146549);(82.0,0.068389);(83.2,0.078159);(84.3,0.112354);(89.8,0.063504);(91.1,4.650481);(95.1,0.092814);(98.2,0.043965);(99.0,0.810903);(100.7,0.034195);(101.3,0.087929);(103.2,2.266621);(104.2,0.337062);(105.0,0.068389);(111.2,0.043965);(112.3,0.053735);(113.0,0.03908);(115.3,11.401495);(116.2,2.35455);(117.2,49.259929);(118.2,1.709736);(125.8,0.083044);(127.0,13.629036);(128.2,5.075473);(129.1,1.25055);(129.8,0.087929);(132.1,0.762054);(133.2,0.024425);(134.1,0.097699);(140.2,0.034195);(142.2,1.338479);(143.1,27.453471);(144.2,100.0);(145.2,2.887011);(146.3,0.385912);(155.2,0.136779);(161.3,0.175859) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.8,0.178435);(40.7,0.089217);(42.1,0.076472);(50.6,0.038236);(54.1,0.101963);(57.0,0.038236);(65.0,1.312771);(66.0,2.345144);(67.1,1.516696);(67.7,0.331379);(70.7,0.050981);(72.1,1.950038);(77.0,14.682641);(77.9,0.866684);(79.1,0.420596);(80.1,0.050981);(81.1,0.471578);(82.1,0.140199);(83.8,0.063727);(88.7,0.407851);(89.0,2.498088);(90.0,3.033393);(91.0,55.047158);(93.0,0.203926);(93.3,0.050981);(95.0,1.045119);(97.1,0.076472);(98.9,0.318634);(101.2,2.00102);(101.8,1.809839);(103.1,8.348203);(104.0,1.223553);(105.2,0.586286);(106.1,0.216671);(110.9,0.089217);(115.3,73.438695);(116.2,15.676778);(117.1,100.0);(118.2,3.708896);(119.1,0.242162);(125.1,0.114708);(126.2,1.809839);(127.1,31.353556);(128.0,13.803212);(128.9,3.415753);(130.0,0.35687);(131.1,0.293143);(132.1,0.433342);(133.8,0.446087);(135.7,0.050981);(138.9,0.038236);(141.0,0.254907);(142.1,7.940352);(142.9,73.464186);(144.2,29.225083);(145.3,4.02753);(146.0,0.509814);(154.8,0.254907);(160.3,0.038236);(161.1,0.089217) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.9,0.755744);(40.9,0.241838);(42.1,0.332527);(51.2,1.14873);(54.3,0.302297);(55.5,0.151149);(59.8,0.060459);(62.9,0.725514);(65.0,11.245466);(66.2,1.118501);(66.9,2.569528);(67.9,0.241838);(71.9,1.511487);(75.1,1.420798);(76.6,2.206771);(77.0,39.903265);(78.0,3.174123);(79.2,0.634825);(79.7,0.211608);(81.2,0.695284);(89.0,23.730351);(90.2,31.650544);(91.1,100.0);(93.4,0.513906);(95.1,2.478839);(101.2,5.471584);(101.9,5.290206);(103.2,4.474002);(104.9,0.332527);(114.4,0.725514);(115.3,88.603386);(116.2,17.563482);(117.2,76.511487);(118.3,1.118501);(119.0,0.362757);(126.1,4.71584);(127.1,12.756953);(128.3,9.189843);(129.0,2.569528);(130.1,0.665054);(140.2,0.211608);(141.3,1.118501);(142.1,15.114873);(142.9,30.652963);(144.2,2.599758);(145.1,1.14873);(155.6,0.392987) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (144.013335,100.0) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (52.913376,0.035194);(56.190472,0.042834);(56.463264,0.04405);(58.312294,0.038859);(61.276093,0.048259);(72.632103,0.094952);(72.634102,0.088883);(73.571091,0.048381);(73.573654,0.041388);(81.058784,0.035521);(81.80497,0.048511);(91.054626,0.037693);(92.147873,0.048542);(95.750183,0.039354);(96.995308,0.061642);(100.075966,0.072802);(109.073044,0.040029);(112.607323,0.038764);(114.721794,0.046146);(117.070206,0.085017);(129.224884,0.046085);(131.866028,0.044159);(132.080826,0.092898);(143.072937,0.176441);(144.022064,0.094054);(144.08075,100.0);(144.137039,0.092433);(145.077942,0.099265);(145.083832,1.813626);(161.100754,0.077534);(161.107086,0.543773);(164.239944,0.051978) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (117.0772,1.1);(144.08733,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.05653,2.2);(115.05716,4.8);(116.05081,1.4);(117.07209,16.5);(127.05698,5.8);(128.05256,1.2);(143.07526,14.9);(144.08342,100.0);(155.0638,1.4) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (117.07134,2.2);(144.0833,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.0245,6.1);(51.02409,4.2);(63.02546,2.0);(65.04103,10.4);(67.04431,1.3);(75.02546,1.4);(77.04076,36.7);(79.05678,2.0);(80.05074,1.1);(89.04056,19.0);(90.04859,22.5);(91.05665,64.2);(101.041,3.5);(102.04846,5.7);(103.05649,2.2);(104.04885,1.2);(115.05658,100.0);(116.06467,13.8);(117.06051,58.5);(118.06598,1.1);(126.04831,3.6);(127.05707,14.9);(128.05187,7.0);(129.06027,3.8);(130.06804,2.4);(132.08196,3.4);(142.06718,12.0);(143.07561,52.7);(144.08247,6.7);(155.06346,3.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (106.06441,5.12);(107.05997,15.86);(120.08547,6.65);(122.02154,19.44);(124.0427,6.14);(127.06072,5.37);(130.06712,10.49);(131.06618,16.62);(132.0764,29.16);(142.06375,6.91);(143.08505,4.09);(144.08307,96.42);(145.05472,6.65);(161.10588,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.05529,1.99);(115.05418,13.34);(116.06042,1.32);(117.06801,18.26);(118.06318,1.04);(127.05415,14.32);(128.04791,2.09);(142.06265,1.75);(143.07309,22.5);(144.08035,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (144.08075,100.0);(145.08383,1.81) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (144.08069,100.0);(145.08388,1.85);(161.0789,1.33) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.0614,2.6);(115.06074,3.3);(116.05627,1.1);(117.07896,15.9);(118.07141,1.4);(127.06156,4.3);(128.06747,2.4);(132.08685,1.3);(143.08015,11.5);(144.08691,100.0);(155.06863,1.1) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (59.01386,100.0);(63.29247,8.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02898,6.2);(41.05387,2.6);(51.02957,6.1);(63.03058,4.5);(64.03875,1.3);(65.04485,23.2);(66.04017,3.9);(67.049,5.1);(75.03907,1.1);(77.04528,45.0);(78.06491,4.3);(87.029,2.4);(89.04626,22.4);(90.05337,38.3);(91.06157,88.0);(93.07783,2.1);(101.04678,4.3);(102.05135,5.7);(103.06009,6.8);(105.07558,2.2);(115.0611,100.0);(116.06865,21.2);(117.06441,69.0);(118.07379,4.7);(126.0536,8.2);(127.0615,28.5);(128.05918,8.7);(129.06563,11.4);(142.07153,9.7);(143.0803,55.7);(144.08753,13.5);(145.09033,3.1) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (129.05639,100.0);(152.14259,1.8);(159.09208,67.9) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (129.05765,7.5);(130.06668,2.2);(159.09281,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (18.03437413,0.1271416211);(27.0234751,0.0839777717);(28.01872406,0.0160381207);(29.03912516,0.0427191682);(30.03437413,0.0645298917);(42.03437413,0.0890666389);(44.05002419,0.6832445213);(46.06567426,0.1539576756);(51.0234751,0.032520039);(53.03912516,0.0367423189);(70.06567426,0.0188224997);(79.05477522,0.0176396351);(92.05002419,0.0215121935);(104.0500242,0.0185016188);(107.0609232,0.0290680475);(109.0765733,0.0472335265);(116.0500242,1.121280758);(117.0704253,0.134106767);(118.0656743,0.4544623777);(119.0609232,0.0361854219);(120.0813243,0.0786986665);(121.0765733,0.06777627);(128.0500242,0.03096634);(130.0656743,1.425355713);(132.0813243,1.457959352);(133.0765733,0.0372163953);(134.0969744,0.2962864811);(135.0922234,0.0557897445);(144.0813243,43.23487621);(145.0765733,0.2547937184);(161.1078734,49.83153049) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.3215422784);(28.01872406,0.1342057434);(29.03912516,0.0843168918);(30.03437413,1.407520354);(41.03912516,0.0688584409);(42.03437413,0.0896581795);(44.05002419,1.219468281);(46.06567426,0.3816688801);(52.01872406,0.1725380938);(54.03437413,0.0809069344);(56.05002419,0.1568104692);(66.03437413,0.1432080854);(79.05477522,0.1597730905);(92.05002419,0.3127311579);(103.0547752,0.1356685698);(106.0656743,0.106090074);(114.0343741,0.3097586738);(116.0500242,3.035324957);(117.0704253,2.205760879);(118.0656743,3.295388948);(120.0813243,0.1515140933);(128.0500242,0.624113977);(130.0656743,4.300694645);(131.0609232,0.0810929874);(132.0813243,2.510505387);(133.0765733,0.4549578825);(134.0969744,4.465605131);(135.0922234,0.4940917333);(144.0813243,51.48438665);(145.0765733,0.8572470067);(161.1078734,20.75459152) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,3.305087961);(29.03912516,1.03201476);(42.03437413,2.242262026);(44.05002419,3.086788116);(46.06567426,0.8015921152);(51.0234751,0.9697416905);(52.01872406,2.786349295);(54.03437413,1.388431793);(56.05002419,0.5871178366);(66.03437413,1.141009699);(76.01872406,0.9165180382);(79.05477522,2.241976475);(90.03437413,1.575324955);(92.05002419,1.394579459);(103.0547752,3.971096565);(104.0500242,2.008050727);(106.0656743,0.5565130443);(110.0969744,0.5760681158);(116.0500242,14.16639195);(117.0704253,9.002982991);(118.0656743,7.002468481);(119.0609232,0.5581053333);(120.0813243,0.6170077229);(128.0500242,3.306161569);(130.0656743,5.42494935);(132.0813243,2.898693453);(133.0765733,0.859542322);(134.0969744,1.254387268);(144.0813243,21.50060297);(145.0765733,2.198174293);(161.1078734,0.6300096192) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (16.01872406,1.501017473);(26.003074,0.0294609372);(28.01872406,0.0964103041);(30.03437413,0.1409035202);(40.01872406,0.0008203721);(42.03437413,0.0135435714);(44.05002419,0.0201657315);(81.04527316,0.003818824);(90.03437413,0.0025571532);(92.05002419,0.0022533745);(103.0296231,0.004205675);(104.0500242,0.0771475215);(105.0452732,0.0121426158);(106.0656743,0.0240283478);(107.0609232,0.0963516313);(109.0765733,0.0147069107);(114.0343741,0.0603433339);(115.0547752,0.0017766456);(116.0500242,0.2021799625);(117.0452732,0.0154461254);(118.0656743,0.0105296715);(119.0609232,0.0250732557);(128.0500242,0.2528865526);(129.0452732,0.0129937543);(130.0656743,1.275403218);(131.0609232,0.0285703974);(132.0813243,0.1649968541);(133.0765733,0.2263392835);(142.0656743,1.134187487);(143.0609232,0.3531595249);(159.0922234,94.19657997) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (16.01872406,1.747969183);(26.003074,0.0550429845);(28.01872406,1.152198909);(30.03437413,0.879419417);(42.03437413,0.0771756166);(44.05002419,0.1695951613);(77.03912516,0.0116106431);(81.04527316,0.2004674231);(90.03437413,0.1053332596);(92.05002419,0.0595240739);(103.0296231,0.0125459857);(104.0500242,0.2542283286);(105.0452732,0.0423057703);(106.0656743,0.3526259197);(107.0609232,0.155148114);(109.0765733,0.0685445616);(114.0343741,0.4838959515);(115.0547752,0.0359278136);(116.0500242,1.561285398);(117.0452732,0.026829077);(118.0656743,0.0578251153);(119.0609232,0.1572873106);(128.0500242,0.9561966722);(129.0452732,0.3715023947);(130.0656743,4.565919164);(131.0609232,0.4534754762);(132.0813243,1.207650654);(133.0765733,0.7771000887);(142.0656743,3.758042541);(143.0609232,1.139078843);(159.0922234,79.10424815) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (16.01872406,2.723014825);(26.003074,0.6154849213);(28.01872406,4.984577242);(30.03437413,1.459734337);(40.01872406,1.118746954);(42.03437413,1.247657394);(44.05002419,1.387108374);(81.04527316,0.5655248551);(88.01872406,0.9714241047);(90.03437413,4.322083132);(92.05002419,1.504585841);(102.0343741,0.7813248627);(104.0500242,1.047267712);(105.0452732,0.5876242524);(106.0656743,2.066922991);(107.0609232,1.203397851);(109.0765733,0.52882887);(114.0343741,7.69740769);(115.0547752,1.015478045);(116.0500242,17.67467323);(117.0452732,0.7591742404);(118.0656743,4.232211244);(128.0500242,4.330074797);(129.0452732,1.04021078);(130.0656743,6.150285536);(131.0609232,2.19535388);(132.0813243,2.181340656);(133.0765733,2.75470532);(142.0656743,13.62561414);(143.0609232,3.085471403);(159.0922234,6.142690522) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17);(161.10732,83.17) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(118.06513,13.52);(127.05423,15.21);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0);(144.08078,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (77.03858,64.06);(79.05423,66.81);(79.05423,66.81);(81.06988,22.54);(81.06988,22.54);(83.08553,36.33);(91.05423,35.13);(94.06513,48.02);(94.06513,48.02);(94.06513,48.02);(104.04948,37.16);(104.04948,37.16);(104.04948,37.16);(104.04948,37.16);(115.05423,74.07);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(116.04948,38.65);(117.06988,100.0);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(118.06513,49.77);(127.05423,66.2);(128.04948,72.3);(128.04948,72.3);(128.04948,72.3);(128.04948,72.3);(128.04948,72.3);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64);(144.08078,43.64) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(116.05057,48.4);(128.05057,19.64);(128.05057,19.64);(157.07712,33.56);(157.07712,33.56);(157.07712,33.56);(157.07712,33.56);(157.07712,33.56);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0);(159.09277,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (77.03967,5.44);(90.03492,3.82);(90.03492,3.82);(92.05057,5.39);(92.05057,5.39);(92.05057,5.39);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(116.05057,100.0);(128.05057,7.86);(128.05057,7.86) |
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