| 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 | (82.0,0.0530530531);(83.0,0.029029029);(84.0,0.01001001);(85.0,0.031031031);(86.0,0.006006006);(87.0,0.021021021);(88.0,0.013013013);(89.0,0.2892892893);(90.0,0.1511511512);(91.0,0.1101101101);(92.0,0.014014014);(93.0,0.022022022);(94.0,0.003003003);(95.0,0.022022022);(96.0,0.004004004);(97.0,0.007007007);(98.0,0.002002002);(99.0,0.009009009);(100.0,0.001001001);(101.0,0.009009009);(102.0,0.022022022);(103.0,0.0920920921);(104.0,0.0650650651);(105.0,0.1231231231);(106.0,0.02002002);(107.0,0.043043043);(108.0,0.005005005);(109.0,0.018018018);(110.0,0.002002002);(111.0,0.007007007);(112.0,0.001001001);(113.0,0.002002002);(114.0,0.001001001);(115.0,0.022022022);(116.0,0.007007007);(117.0,0.0980980981);(118.0,0.018018018);(119.0,0.039039039);(120.0,0.008008008);(121.0,0.032032032);(122.0,0.005005005);(123.0,0.01001001);(124.0,0.002002002);(125.0,0.002002002);(126.0,0.001001001);(127.0,0.001001001);(128.0,0.001001001);(129.0,0.003003003);(130.0,0.003003003);(131.0,0.04004004);(132.0,0.008008008);(133.0,0.1661661662);(134.0,0.029029029);(135.0,0.1391391391);(136.0,0.022022022);(137.0,0.028028028);(138.0,0.004004004);(139.0,0.002002002);(141.0,0.001001001);(143.0,0.007007007);(144.0,0.002002002);(145.0,0.027027027);(146.0,0.007007007);(147.0,0.2822822823);(148.0,0.0620620621);(149.0,0.2712712713);(150.0,0.042042042);(151.0,0.02002002);(152.0,0.003003003);(153.0,0.002002002);(154.0,0.001001001);(155.0,0.001001001);(156.0,0.001001001);(157.0,0.002002002);(158.0,0.001001001);(159.0,0.005005005);(160.0,0.003003003);(161.0,0.0950950951);(162.0,0.026026026);(163.0,0.2902902903);(164.0,0.6796796797);(165.0,0.1271271271);(166.0,0.032032032);(167.0,0.004004004);(173.0,0.001001001);(175.0,0.009009009);(176.0,0.005005005);(177.0,0.1101101101);(178.0,0.037037037);(179.0,1.0);(180.0,0.1611611612);(181.0,0.045045045);(182.0,0.005005005);(183.0,0.001001001);(189.0,0.002002002);(190.0,0.003003003);(191.0,0.1021021021);(192.0,0.018018018);(193.0,0.026026026);(194.0,0.005005005);(195.0,0.006006006);(196.0,0.001001001);(197.0,0.001001001);(204.0,0.001001001);(205.0,0.002002002);(206.0,0.019019019);(207.0,0.01001001);(208.0,0.016016016);(209.0,0.025025025);(210.0,0.008008008);(211.0,0.005005005);(212.0,0.001001001);(219.0,0.002002002);(220.0,0.001001001);(221.0,0.006006006);(222.0,0.003003003);(223.0,0.005005005);(224.0,0.003003003);(225.0,0.04004004);(226.0,0.015015015);(227.0,0.005005005);(228.0,0.001001001);(233.0,0.001001001);(235.0,0.004004004);(236.0,0.004004004);(237.0,0.029029029);(238.0,0.009009009);(239.0,0.004004004);(240.0,0.001001001);(249.0,0.002002002);(250.0,0.001001001);(251.0,0.008008008);(252.0,0.3983983984);(253.0,0.1561561562);(254.0,0.0620620621);(255.0,0.015015015);(256.0,0.003003003);(265.0,0.013013013);(266.0,0.005005005);(267.0,0.004004004);(268.0,0.001001001);(269.0,0.001001001);(271.0,0.001001001);(272.0,0.001001001);(273.0,0.001001001);(274.0,0.001001001);(279.0,0.002002002);(280.0,0.013013013);(281.0,0.2892892893);(282.0,0.0720720721);(283.0,0.029029029);(284.0,0.005005005);(285.0,0.001001001);(295.0,0.014014014);(296.0,0.2382382382);(297.0,0.0600600601);(298.0,0.022022022);(299.0,0.003003003) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (82.0,0.014014014);(83.0,0.013013013);(84.0,0.001001001);(85.0,0.015015015);(86.0,0.002002002);(87.0,0.01001001);(88.0,0.007007007);(89.0,0.1351351351);(90.0,0.0840840841);(91.0,0.042042042);(92.0,0.004004004);(93.0,0.006006006);(94.0,0.001001001);(95.0,0.01001001);(96.0,0.002002002);(97.0,0.003003003);(98.0,0.001001001);(99.0,0.006006006);(101.0,0.006006006);(102.0,0.012012012);(103.0,0.047047047);(104.0,0.04004004);(105.0,0.0560560561);(106.0,0.01001001);(107.0,0.023023023);(108.0,0.002002002);(109.0,0.009009009);(110.0,0.001001001);(111.0,0.003003003);(113.0,0.001001001);(115.0,0.011011011);(116.0,0.005005005);(117.0,0.0670670671);(118.0,0.015015015);(119.0,0.025025025);(120.0,0.005005005);(121.0,0.018018018);(122.0,0.003003003);(123.0,0.007007007);(124.0,0.001001001);(125.0,0.001001001);(129.0,0.001001001);(130.0,0.002002002);(131.0,0.027027027);(132.0,0.006006006);(133.0,0.1621621622);(134.0,0.029029029);(135.0,0.0720720721);(136.0,0.014014014);(137.0,0.017017017);(138.0,0.002002002);(139.0,0.001001001);(140.0,0.001001001);(141.0,0.001001001);(143.0,0.005005005);(144.0,0.001001001);(145.0,0.015015015);(146.0,0.005005005);(147.0,0.2512512513);(148.0,0.0570570571);(149.0,0.1781781782);(150.0,0.033033033);(151.0,0.013013013);(152.0,0.002002002);(153.0,0.001001001);(155.0,0.001001001);(156.0,0.001001001);(157.0,0.002002002);(158.0,0.001001001);(159.0,0.004004004);(160.0,0.002002002);(161.0,0.0500500501);(162.0,0.017017017);(163.0,0.2072072072);(164.0,0.5745745746);(165.0,0.1101101101);(166.0,0.029029029);(167.0,0.004004004);(168.0,0.001001001);(175.0,0.006006006);(176.0,0.005005005);(177.0,0.0960960961);(178.0,0.027027027);(179.0,1.0);(180.0,0.1811811812);(181.0,0.0550550551);(182.0,0.006006006);(183.0,0.001001001);(189.0,0.002002002);(190.0,0.002002002);(191.0,0.0780780781);(192.0,0.015015015);(193.0,0.024024024);(194.0,0.006006006);(195.0,0.006006006);(196.0,0.002002002);(197.0,0.001001001);(203.0,0.001001001);(204.0,0.001001001);(205.0,0.003003003);(206.0,0.021021021);(207.0,0.01001001);(208.0,0.016016016);(209.0,0.013013013);(210.0,0.006006006);(211.0,0.005005005);(212.0,0.002002002);(213.0,0.001001001);(219.0,0.003003003);(220.0,0.002002002);(221.0,0.005005005);(222.0,0.004004004);(223.0,0.006006006);(224.0,0.002002002);(225.0,0.035035035);(226.0,0.019019019);(227.0,0.006006006);(228.0,0.002002002);(229.0,0.001001001);(230.0,0.001001001);(233.0,0.001001001);(234.0,0.001001001);(235.0,0.002002002);(236.0,0.004004004);(237.0,0.026026026);(238.0,0.013013013);(239.0,0.005005005);(240.0,0.001001001);(249.0,0.001001001);(250.0,0.001001001);(251.0,0.004004004);(252.0,0.3493493493);(253.0,0.1671671672);(254.0,0.0770770771);(255.0,0.019019019);(256.0,0.004004004);(257.0,0.001001001);(265.0,0.006006006);(266.0,0.01001001);(267.0,0.005005005);(268.0,0.002002002);(269.0,0.001001001);(270.0,0.001001001);(271.0,0.001001001);(272.0,0.001001001);(273.0,0.002002002);(274.0,0.002002002);(275.0,0.001001001);(276.0,0.001001001);(277.0,0.001001001);(278.0,0.001001001);(279.0,0.002002002);(280.0,0.008008008);(281.0,0.2632632633);(282.0,0.0760760761);(283.0,0.032032032);(284.0,0.007007007);(285.0,0.002002002);(286.0,0.001001001);(295.0,0.017017017);(296.0,0.2922922923);(297.0,0.0890890891);(298.0,0.036036036);(299.0,0.006006006);(300.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.035035035);(86.0,0.007007007);(87.0,0.022022022);(88.0,0.016016016);(89.0,0.2672672673);(90.0,0.1511511512);(91.0,0.1001001001);(92.0,0.014014014);(93.0,0.022022022);(94.0,0.002002002);(95.0,0.023023023);(96.0,0.004004004);(97.0,0.01001001);(98.0,0.002002002);(99.0,0.011011011);(100.0,0.001001001);(101.0,0.011011011);(102.0,0.02002002);(103.0,0.0880880881);(104.0,0.0630630631);(105.0,0.1191191191);(106.0,0.022022022);(107.0,0.043043043);(108.0,0.006006006);(109.0,0.018018018);(110.0,0.003003003);(111.0,0.009009009);(112.0,0.001001001);(113.0,0.003003003);(115.0,0.024024024);(116.0,0.01001001);(117.0,0.1201201201);(118.0,0.025025025);(119.0,0.043043043);(120.0,0.008008008);(121.0,0.035035035);(122.0,0.006006006);(123.0,0.014014014);(125.0,0.003003003);(126.0,0.002002002);(128.0,0.002002002);(129.0,0.002002002);(130.0,0.003003003);(131.0,0.045045045);(132.0,0.01001001);(133.0,0.2272272272);(134.0,0.04004004);(135.0,0.1521521522);(136.0,0.024024024);(137.0,0.031031031);(138.0,0.004004004);(139.0,0.002002002);(141.0,0.001001001);(143.0,0.009009009);(144.0,0.002002002);(145.0,0.032032032);(146.0,0.01001001);(147.0,0.3233233233);(148.0,0.0740740741);(149.0,0.3183183183);(150.0,0.0520520521);(151.0,0.026026026);(152.0,0.004004004);(153.0,0.002002002);(154.0,0.002002002);(155.0,0.001001001);(156.0,0.002002002);(157.0,0.002002002);(158.0,0.002002002);(159.0,0.006006006);(160.0,0.003003003);(161.0,0.0900900901);(162.0,0.027027027);(163.0,0.2882882883);(164.0,0.7857857858);(165.0,0.1441441441);(166.0,0.038038038);(167.0,0.006006006);(168.0,0.001001001);(169.0,0.001001001);(173.0,0.001001001);(175.0,0.011011011);(176.0,0.007007007);(177.0,0.1221221221);(178.0,0.037037037);(179.0,1.0);(180.0,0.1691691692);(181.0,0.0510510511);(182.0,0.006006006);(183.0,0.002002002);(189.0,0.002002002);(190.0,0.002002002);(191.0,0.1171171171);(192.0,0.021021021);(193.0,0.03003003);(194.0,0.007007007);(195.0,0.009009009);(196.0,0.002002002);(199.0,0.001001001);(203.0,0.001001001);(204.0,0.001001001);(205.0,0.003003003);(206.0,0.023023023);(207.0,0.013013013);(208.0,0.019019019);(209.0,0.03003003);(210.0,0.009009009);(211.0,0.006006006);(212.0,0.001001001);(217.0,0.001001001);(219.0,0.004004004);(220.0,0.001001001);(221.0,0.009009009);(222.0,0.003003003);(223.0,0.007007007);(224.0,0.007007007);(225.0,0.046046046);(226.0,0.017017017);(227.0,0.007007007);(228.0,0.001001001);(229.0,0.001001001);(231.0,0.001001001);(233.0,0.001001001);(235.0,0.005005005);(236.0,0.005005005);(237.0,0.034034034);(238.0,0.012012012);(239.0,0.005005005);(240.0,0.001001001);(242.0,0.001001001);(245.0,0.001001001);(246.0,0.001001001);(249.0,0.004004004);(250.0,0.001001001);(251.0,0.006006006);(252.0,0.4084084084);(253.0,0.1621621622);(254.0,0.0680680681);(255.0,0.019019019);(256.0,0.004004004);(265.0,0.017017017);(266.0,0.006006006);(267.0,0.006006006);(268.0,0.002002002);(269.0,0.001001001);(271.0,0.001001001);(273.0,0.001001001);(274.0,0.001001001);(278.0,0.001001001);(279.0,0.003003003);(280.0,0.007007007);(281.0,0.2752752753);(282.0,0.0730730731);(283.0,0.029029029);(284.0,0.006006006);(285.0,0.001001001);(286.0,0.002002002);(294.0,0.001001001);(295.0,0.006006006);(296.0,0.2942942943);(297.0,0.0830830831);(298.0,0.032032032);(299.0,0.008008008);(300.0,0.002002002);(301.0,0.001001001);(324.0,0.001001001);(429.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.004004004);(61.0,0.016016016);(62.0,0.003003003);(63.0,0.012012012);(64.0,0.002002002);(65.0,0.003003003);(66.0,0.001001001);(67.0,0.004004004);(69.0,0.001001001);(70.0,0.002002002);(71.0,0.003003003);(72.0,0.011011011);(73.0,1.0);(74.0,0.0900900901);(75.0,0.1211211211);(76.0,0.011011011);(77.0,0.025025025);(78.0,0.01001001);(79.0,0.006006006);(81.0,0.001001001);(82.0,0.007007007);(83.0,0.003003003);(84.0,0.001001001);(85.0,0.004004004);(87.0,0.002002002);(88.0,0.001001001);(89.0,0.032032032);(90.0,0.018018018);(91.0,0.012012012);(92.0,0.001001001);(93.0,0.002002002);(95.0,0.002002002);(97.0,0.001001001);(99.0,0.001001001);(101.0,0.001001001);(102.0,0.002002002);(103.0,0.011011011);(104.0,0.008008008);(105.0,0.015015015);(106.0,0.002002002);(107.0,0.005005005);(109.0,0.002002002);(111.0,0.001001001);(115.0,0.002002002);(116.0,0.001001001);(117.0,0.016016016);(118.0,0.003003003);(119.0,0.005005005);(120.0,0.001001001);(121.0,0.004004004);(123.0,0.001001001);(131.0,0.005005005);(132.0,0.001001001);(133.0,0.031031031);(134.0,0.005005005);(135.0,0.017017017);(136.0,0.002002002);(137.0,0.003003003);(145.0,0.003003003);(146.0,0.001001001);(147.0,0.045045045);(148.0,0.009009009);(149.0,0.04004004);(150.0,0.006006006);(151.0,0.003003003);(161.0,0.01001001);(162.0,0.003003003);(163.0,0.034034034);(164.0,0.1131131131);(165.0,0.019019019);(166.0,0.005005005);(175.0,0.001001001);(177.0,0.017017017);(178.0,0.005005005);(179.0,0.1531531532);(180.0,0.024024024);(181.0,0.007007007);(191.0,0.01001001);(192.0,0.001001001);(193.0,0.003003003);(195.0,0.001001001);(206.0,0.002002002);(207.0,0.001001001);(208.0,0.002002002);(209.0,0.003003003);(210.0,0.001001001);(221.0,0.001001001);(225.0,0.006006006);(226.0,0.001001001);(237.0,0.005005005);(238.0,0.001001001);(252.0,0.0670670671);(253.0,0.025025025);(254.0,0.01001001);(255.0,0.002002002);(265.0,0.002002002);(281.0,0.044044044);(282.0,0.011011011);(283.0,0.004004004);(296.0,0.046046046);(297.0,0.012012012);(298.0,0.004004004) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.015);(71.0,0.019);(72.0,0.059);(76.0,0.085);(77.0,0.132);(78.0,0.067);(79.0,0.039);(80.0,0.005);(81.0,0.011);(82.0,0.041);(83.0,0.026);(84.0,0.007);(85.0,0.029);(86.0,0.006);(87.0,0.018);(88.0,0.01);(89.0,0.226);(90.0,0.118);(91.0,0.082);(92.0,0.008);(93.0,0.016);(94.0,0.003);(95.0,0.02);(96.0,0.004);(97.0,0.006);(98.0,0.003);(99.0,0.009);(100.0,0.001);(101.0,0.008);(102.0,0.018);(103.0,0.074);(104.0,0.051);(105.0,0.095);(106.0,0.017);(107.0,0.038);(108.0,0.005);(109.0,0.016);(110.0,0.004);(111.0,0.007);(112.0,0.001);(113.0,0.002);(114.0,0.001);(115.0,0.019);(116.0,0.006);(117.0,0.093);(118.0,0.016);(119.0,0.041);(120.0,0.007);(121.0,0.031);(122.0,0.005);(123.0,0.011);(124.0,0.003);(125.0,0.002);(126.0,0.001);(127.0,0.001);(128.0,0.003);(129.0,0.003);(130.0,0.003);(131.0,0.041);(132.0,0.007);(133.0,0.167);(134.0,0.03);(135.0,0.143);(136.0,0.021);(137.0,0.029);(138.0,0.004);(139.0,0.002);(140.0,0.001);(141.0,0.001);(142.0,0.001);(143.0,0.006);(144.0,0.002);(145.0,0.028);(146.0,0.006);(150.0,0.047);(151.0,0.021);(152.0,0.004);(153.0,0.002);(154.0,0.001);(155.0,0.001);(156.0,0.001);(157.0,0.002);(158.0,0.001);(159.0,0.005);(160.0,0.003);(161.0,0.085);(162.0,0.021);(163.0,0.274);(164.0,0.641);(165.0,0.115);(166.0,0.031);(167.0,0.005);(168.0,0.001);(169.0,0.001);(170.0,0.0);(171.0,0.001);(172.0,0.0);(173.0,0.001);(174.0,0.001);(175.0,0.009);(176.0,0.005);(177.0,0.108);(178.0,0.033);(179.0,1.0);(180.0,0.17);(181.0,0.05);(182.0,0.008);(183.0,0.001);(184.0,0.001);(185.0,0.0);(186.0,0.0);(187.0,0.0);(188.0,0.0);(189.0,0.002);(190.0,0.002);(191.0,0.136);(192.0,0.024);(193.0,0.033);(194.0,0.006);(195.0,0.007);(196.0,0.002);(197.0,0.001);(198.0,0.0);(199.0,0.0);(200.0,0.0);(201.0,0.0);(202.0,0.0);(203.0,0.001);(204.0,0.001);(205.0,0.004);(206.0,0.017);(207.0,0.011);(208.0,0.02);(209.0,0.029);(210.0,0.008);(211.0,0.006);(212.0,0.001);(213.0,0.001);(214.0,0.0);(215.0,0.0);(216.0,0.0);(217.0,0.001);(218.0,0.001);(219.0,0.003);(220.0,0.002);(221.0,0.007);(222.0,0.003);(223.0,0.006);(224.0,0.003);(225.0,0.046);(226.0,0.014);(227.0,0.005);(228.0,0.001);(229.0,0.001);(230.0,0.0);(231.0,0.0);(232.0,0.0);(233.0,0.001);(234.0,0.001);(235.0,0.004);(236.0,0.004);(237.0,0.031);(238.0,0.008);(239.0,0.004);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(244.0,0.0);(245.0,0.0);(246.0,0.0);(247.0,0.001);(248.0,0.0);(249.0,0.002);(250.0,0.001);(251.0,0.004);(252.0,0.393);(253.0,0.144);(254.0,0.06);(255.0,0.016);(256.0,0.003);(257.0,0.001);(258.0,0.0);(259.0,0.0);(260.0,0.0);(261.0,0.0);(263.0,0.0);(264.0,0.0);(265.0,0.013);(266.0,0.006);(267.0,0.007);(268.0,0.002);(269.0,0.001);(270.0,0.001);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.001);(276.0,0.001);(277.0,0.001);(278.0,0.001);(279.0,0.002);(280.0,0.003);(281.0,0.282);(282.0,0.072);(283.0,0.029);(284.0,0.005);(285.0,0.001);(286.0,0.001);(287.0,0.0);(288.0,0.0);(289.0,0.0);(294.0,0.0);(295.0,0.003);(296.0,0.324);(297.0,0.087);(298.0,0.037);(299.0,0.006);(300.0,0.001);(301.0,0.0);(302.0,0.0);(303.0,0.0);(304.0,0.0);(315.0,0.0);(316.0,0.0);(317.0,0.0);(318.0,0.0);(333.0,0.0);(334.0,0.0);(369.0,0.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (38.0,1.0);(50.0,2.3);(51.0,5.6);(52.0,2.6);(53.0,3.5);(77.0,11.8);(78.0,4.4);(79.0,0.2);(107.0,99.99);(108.0,7.7);(109.0,1.5);(152.0,3.4);(153.0,3.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,4.8);(40.0,1.2);(41.0,5.6);(42.0,0.2);(43.0,6.0);(44.0,1.2);(45.0,2.0);(49.0,0.12);(50.0,4.0);(51.0,5.6);(52.0,3.6);(53.0,0.32);(54.0,1.2);(55.0,6.0);(56.0,1.2);(57.0,0.92);(58.0,1.2);(67.0,2.8);(68.0,1.6);(69.0,5.2);(70.0,0.12);(71.0,4.0);(73.0,3.2);(74.0,1.6);(77.0,1.64);(78.0,4.0);(79.0,5.6);(81.0,2.4);(82.0,0.16);(83.0,2.8);(84.0,1.2);(85.0,2.4);(91.0,0.32);(95.0,1.6);(96.0,1.6);(97.0,1.6);(98.0,0.12);(99.0,1.2);(101.0,1.2);(105.0,1.6);(107.0,99.99);(108.0,10.8);(109.0,2.8);(111.0,1.2);(119.0,0.16);(121.0,1.2);(123.0,1.2);(127.0,1.2);(129.0,0.2);(135.0,1.2);(147.0,1.2);(149.0,2.8);(152.0,3.24);(153.0,2.8) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.05,0.223181);(87.05,0.871783);(88.15,0.399293);(89.05,7.467899);(90.05,5.976034);(91.05,3.372452);(92.0,0.317919);(93.05,0.540103);(94.0,0.087557);(95.05,0.717012);(96.1,0.167137);(97.05,0.246118);(98.15,0.15158);(99.05,0.477277);(100.1,0.345841);(101.1,0.359803);(102.05,0.5052);(103.1,2.928283);(104.1,2.561699);(105.1,4.907796);(106.1,0.62786);(107.05,1.236971);(108.1,0.140211);(109.05,0.442773);(110.1,0.14081);(111.1,0.16235);(112.15,0.138815);(113.05,1.589195);(114.1,0.222184);(115.1,0.979285);(116.15,0.33926);(117.05,7.564033);(118.1,1.523976);(119.05,1.848476);(120.05,0.300367);(121.1,1.181525);(122.0,0.180699);(123.05,0.44377);(124.0,0.093341);(125.15,0.258483);(126.2,0.174716);(127.2,0.109696);(128.2,0.073197);(129.1,0.20563);(130.1,0.128045);(131.1,2.148445);(132.15,0.574607);(133.1,17.197329);(134.05,2.978344);(135.05,4.821634);(136.1,0.597544);(137.1,1.002222);(138.1,0.151779);(139.1,0.096532);(140.3,0.164544);(141.3,0.066615);(142.1,0.036898);(143.1,0.34265);(144.1,0.095336);(145.1,1.407498);(146.15,0.474086);(147.1,25.161851);(148.1,4.655694);(149.1,19.916192);(150.1,2.736016);(151.1,1.305581);(152.1,0.121064);(153.1,0.132632);(154.1,0.040089);(155.1,0.057042);(156.1,0.031114);(157.1,0.080178);(158.1,0.032111);(159.1,0.371969);(160.1,0.100721);(161.05,2.960793);(162.15,1.034532);(163.1,13.18186);(164.1,68.033012);(165.1,11.185394);(166.1,2.98333);(167.1,0.394905);(168.1,0.06841);(169.1,0.036299);(170.1,0.006582);(171.1,0.133829);(172.1,0.09015);(173.1,0.072998);(174.1,0.147591);(175.05,0.336667);(176.15,0.398096);(177.1,8.206452);(178.15,3.079264);(179.1,100.0);(180.1,16.384781);(181.1,4.64991);(182.1,0.625267);(183.1,0.074194);(184.1,0.070405);(185.1,0.031114);(186.1,0.022139);(187.1,0.036299);(188.1,0.257686);(189.1,0.156566);(190.05,0.166339);(191.0,3.509073);(192.05,0.539504);(193.05,2.398551);(194.05,0.444967);(195.05,0.672336);(196.0,0.135823);(197.0,0.081574);(198.0,0.028521);(199.0,0.035302);(200.0,0.032709);(201.0,0.008177);(202.0,0.010371);(203.0,0.032111);(204.0,0.066815);(205.15,0.18768);(206.05,1.914692);(207.05,0.938);(208.05,0.686098);(209.05,2.955607);(210.05,0.573411);(211.1,1.316551);(212.1,0.213408);(213.1,0.086959);(214.1,0.022737);(215.1,0.016155);(217.1,0.048665);(218.0,0.013961);(219.0,0.359204);(220.0,0.076787);(221.05,1.001623);(222.1,0.320312);(223.1,0.71083);(224.15,0.257885);(225.05,5.603667);(226.1,1.176339);(227.05,0.513776);(228.1,0.139214);(229.1,0.039092);(230.1,0.005186);(231.1,0.024731);(232.1,0.017751);(233.1,0.134427);(234.1,0.128444);(235.1,0.63843);(236.15,0.756702);(237.1,5.209958);(238.1,1.419266);(239.1,1.706869);(240.05,0.329686);(241.0,0.083768);(242.0,0.023734);(243.0,0.008776);(244.0,0.011967);(245.0,0.006582);(246.0,0.005784);(247.0,0.084167);(248.0,0.024133);(249.05,0.354218);(250.0,0.097729);(251.15,1.103342);(252.15,92.626838);(253.1,30.025968);(254.15,10.797071);(255.1,2.030372);(256.1,0.52295);(257.1,0.11528);(258.1,0.060233);(259.1,0.008177);(260.1,0.031114);(261.1,0.006781);(262.1,0.017152);(263.1,0.04328);(264.1,0.041286);(265.1,2.36285);(266.1,0.553865);(267.1,0.661367);(268.1,0.108699);(269.1,0.074793);(270.1,0.023734);(271.1,0.033308);(272.1,0.009175);(273.1,0.009773);(275.1,0.025729);(276.1,0.018947);(277.1,0.002194);(278.1,0.019546);(279.05,0.229963);(280.15,0.662563);(281.1,52.554319);(282.1,12.949504);(283.1,5.484198);(284.15,0.936005);(285.1,0.113485);(286.1,0.023535);(287.1,0.020344);(288.1,0.005784);(289.1,0.01795);(290.1,0.012366);(292.1,0.019945);(293.1,0.033707);(294.1,0.045474);(295.15,0.655982);(296.15,62.11043);(297.1,16.517613);(298.15,6.585944);(299.1,1.204262);(300.1,0.208622);(301.1,0.028521);(302.1,0.008177);(303.1,0.022139);(304.1,0.013164);(305.1,0.012565);(307.1,0.040687);(308.1,0.015756);(309.1,0.034903);(310.1,0.012565);(311.1,0.024333);(312.1,0.010371);(313.1,0.015557);(314.1,0.012565);(315.1,0.002593);(316.1,0.01077);(317.1,0.009374);(318.1,0.011368);(320.1,0.002593);(321.1,0.015557);(324.1,0.004787);(325.1,0.013164);(326.1,0.02533);(327.1,0.02513);(328.1,0.015756);(329.1,0.012565);(331.1,0.012565);(332.1,0.009773);(333.1,0.021939);(334.1,0.020543);(335.1,0.01097);(336.1,0.008177);(337.1,0.009773);(339.1,0.005983);(340.1,0.008177);(341.1,0.018947);(342.1,0.007778);(343.1,0.015158);(344.1,0.006781);(345.1,0.009773);(346.1,0.024731);(347.1,0.013961);(348.1,0.01077);(349.1,0.005784);(350.1,0.005385);(351.1,0.012565);(352.1,0.020344);(353.1,0.016355);(354.1,0.00718);(355.1,0.031513);(356.1,0.012964);(357.1,0.011368);(358.1,0.022139);(359.1,0.000997);(360.1,0.004787);(361.1,0.025928);(362.1,0.003789);(363.1,0.011568);(364.1,0.018748);(365.1,0.011967);(366.1,0.006183);(367.1,0.013562);(368.1,0.013562);(369.1,0.202239);(370.1,0.06143);(371.1,0.02154);(372.1,0.004388);(373.1,0.005784);(374.1,0.005186);(375.1,0.000598);(376.1,0.023734);(377.1,0.01097);(378.1,0.011967);(379.1,0.000399);(380.1,0.009972);(382.1,0.008776);(383.1,0.012565);(384.1,0.007579);(385.1,0.009175);(386.1,0.016155);(387.1,0.005983);(388.1,0.022538);(389.1,0.012565);(390.1,0.011568);(391.1,0.016754);(392.1,0.015557);(395.1,0.008377);(396.1,0.001596);(397.1,0.008377);(398.1,0.009175);(399.1,0.012565);(400.1,0.016754);(401.1,0.01097);(402.1,0.023734);(403.1,0.004787);(404.1,0.009175);(405.1,0.034305);(406.1,0.018349);(408.1,0.003191);(409.1,0.018947);(410.1,0.008377);(411.1,0.011568);(412.1,0.006582);(413.1,0.022538);(414.1,0.018349);(416.1,0.015557);(417.1,0.004188);(419.1,0.012366);(420.1,0.009175);(421.1,0.00718);(422.1,0.00718);(424.1,0.027324);(425.1,0.008177);(426.1,0.005983);(427.1,0.005983);(428.1,0.016155);(430.1,0.000598);(431.1,0.011967);(433.1,0.008776);(435.1,0.01077);(436.1,0.027524);(438.1,0.001994);(439.1,0.020543);(440.1,0.022737);(441.1,0.002593);(442.1,0.028321);(443.1,0.035302);(444.1,0.037496);(445.1,0.020942);(446.1,0.028521);(447.1,0.001596);(448.1,0.014759);(449.1,0.000399);(450.1,0.01097);(452.1,0.005385);(453.1,0.011967);(454.1,0.004388);(455.1,0.025928);(456.1,0.022139);(457.1,0.005784);(458.1,0.001596);(459.1,0.013164);(460.1,0.030715);(461.1,0.021939);(462.1,0.01795);(463.1,0.001197);(464.1,0.002792);(465.1,0.017152);(466.1,0.002792);(467.1,0.019346);(468.1,0.002593);(469.1,0.013961);(470.1,0.02154);(471.1,0.003191);(472.1,0.009374);(474.1,0.006582);(476.1,0.007778);(477.1,0.001596);(478.1,0.017152);(479.1,0.015557);(480.1,0.009374);(481.1,0.006582);(483.1,0.005186);(484.1,0.015557);(485.1,0.018349);(487.1,0.012964);(488.1,0.008177);(489.1,0.013961);(490.1,0.016155);(492.1,0.014161);(493.1,0.013164);(494.1,0.006183);(495.1,0.008177);(496.1,0.006582) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,5.305305);(83.0,2.902903);(84.0,1.001001);(85.0,3.103103);(86.0,0.600601);(87.0,2.102102);(88.0,1.301301);(89.0,28.928929);(90.0,15.115115);(91.0,11.011011);(92.0,1.401401);(93.0,2.202202);(94.0,0.3003);(95.0,2.202202);(96.0,0.4004);(97.0,0.700701);(98.0,0.2002);(99.0,0.900901);(100.0,0.1001);(101.0,0.900901);(102.0,2.202202);(103.0,9.209209);(104.0,6.506507);(105.0,12.312312);(106.0,2.002002);(107.0,4.304304);(108.0,0.500501);(109.0,1.801802);(110.0,0.2002);(111.0,0.700701);(112.0,0.1001);(113.0,0.2002);(114.0,0.1001);(115.0,2.202202);(116.0,0.700701);(117.0,9.80981);(118.0,1.801802);(119.0,3.903904);(120.0,0.800801);(121.0,3.203203);(122.0,0.500501);(123.0,1.001001);(124.0,0.2002);(125.0,0.2002);(126.0,0.1001);(127.0,0.1001);(128.0,0.1001);(129.0,0.3003);(130.0,0.3003);(131.0,4.004004);(132.0,0.800801);(133.0,16.616617);(134.0,2.902903);(135.0,13.913914);(136.0,2.202202);(137.0,2.802803);(138.0,0.4004);(139.0,0.2002);(141.0,0.1001);(143.0,0.700701);(144.0,0.2002);(145.0,2.702703);(146.0,0.700701);(147.0,28.228228);(148.0,6.206206);(149.0,27.127127);(150.0,4.204204);(151.0,2.002002);(152.0,0.3003);(153.0,0.2002);(154.0,0.1001);(155.0,0.1001);(156.0,0.1001);(157.0,0.2002);(158.0,0.1001);(159.0,0.500501);(160.0,0.3003);(161.0,9.50951);(162.0,2.602603);(163.0,29.029029);(164.0,67.967968);(165.0,12.712713);(166.0,3.203203);(167.0,0.4004);(173.0,0.1001);(175.0,0.900901);(176.0,0.500501);(177.0,11.011011);(178.0,3.703704);(179.0,100.0);(180.0,16.116116);(181.0,4.504505);(182.0,0.500501);(183.0,0.1001);(189.0,0.2002);(190.0,0.3003);(191.0,10.21021);(192.0,1.801802);(193.0,2.602603);(194.0,0.500501);(195.0,0.600601);(196.0,0.1001);(197.0,0.1001);(204.0,0.1001);(205.0,0.2002);(206.0,1.901902);(207.0,1.001001);(208.0,1.601602);(209.0,2.502503);(210.0,0.800801);(211.0,0.500501);(212.0,0.1001);(219.0,0.2002);(220.0,0.1001);(221.0,0.600601);(222.0,0.3003);(223.0,0.500501);(224.0,0.3003);(225.0,4.004004);(226.0,1.501502);(227.0,0.500501);(228.0,0.1001);(233.0,0.1001);(235.0,0.4004);(236.0,0.4004);(237.0,2.902903);(238.0,0.900901);(239.0,0.4004);(240.0,0.1001);(249.0,0.2002);(250.0,0.1001);(251.0,0.800801);(252.0,39.83984);(253.0,15.615616);(254.0,6.206206);(255.0,1.501502);(256.0,0.3003);(265.0,1.301301);(266.0,0.500501);(267.0,0.4004);(268.0,0.1001);(269.0,0.1001);(271.0,0.1001);(272.0,0.1001);(273.0,0.1001);(274.0,0.1001);(279.0,0.2002);(280.0,1.301301);(281.0,28.928929);(282.0,7.207207);(283.0,2.902903);(284.0,0.500501);(285.0,0.1001);(295.0,1.401401);(296.0,23.823824);(297.0,6.006006);(298.0,2.202202);(299.0,0.3003) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,1.401401);(83.0,1.301301);(84.0,0.1001);(85.0,1.501502);(86.0,0.2002);(87.0,1.001001);(88.0,0.700701);(89.0,13.513514);(90.0,8.408408);(91.0,4.204204);(92.0,0.4004);(93.0,0.600601);(94.0,0.1001);(95.0,1.001001);(96.0,0.2002);(97.0,0.3003);(98.0,0.1001);(99.0,0.600601);(101.0,0.600601);(102.0,1.201201);(103.0,4.704705);(104.0,4.004004);(105.0,5.605606);(106.0,1.001001);(107.0,2.302302);(108.0,0.2002);(109.0,0.900901);(110.0,0.1001);(111.0,0.3003);(113.0,0.1001);(115.0,1.101101);(116.0,0.500501);(117.0,6.706707);(118.0,1.501502);(119.0,2.502503);(120.0,0.500501);(121.0,1.801802);(122.0,0.3003);(123.0,0.700701);(124.0,0.1001);(125.0,0.1001);(129.0,0.1001);(130.0,0.2002);(131.0,2.702703);(132.0,0.600601);(133.0,16.216216);(134.0,2.902903);(135.0,7.207207);(136.0,1.401401);(137.0,1.701702);(138.0,0.2002);(139.0,0.1001);(140.0,0.1001);(141.0,0.1001);(143.0,0.500501);(144.0,0.1001);(145.0,1.501502);(146.0,0.500501);(147.0,25.125125);(148.0,5.705706);(149.0,17.817818);(150.0,3.303303);(151.0,1.301301);(152.0,0.2002);(153.0,0.1001);(155.0,0.1001);(156.0,0.1001);(157.0,0.2002);(158.0,0.1001);(159.0,0.4004);(160.0,0.2002);(161.0,5.005005);(162.0,1.701702);(163.0,20.720721);(164.0,57.457457);(165.0,11.011011);(166.0,2.902903);(167.0,0.4004);(168.0,0.1001);(175.0,0.600601);(176.0,0.500501);(177.0,9.60961);(178.0,2.702703);(179.0,100.0);(180.0,18.118118);(181.0,5.505506);(182.0,0.600601);(183.0,0.1001);(189.0,0.2002);(190.0,0.2002);(191.0,7.807808);(192.0,1.501502);(193.0,2.402402);(194.0,0.600601);(195.0,0.600601);(196.0,0.2002);(197.0,0.1001);(203.0,0.1001);(204.0,0.1001);(205.0,0.3003);(206.0,2.102102);(207.0,1.001001);(208.0,1.601602);(209.0,1.301301);(210.0,0.600601);(211.0,0.500501);(212.0,0.2002);(213.0,0.1001);(219.0,0.3003);(220.0,0.2002);(221.0,0.500501);(222.0,0.4004);(223.0,0.600601);(224.0,0.2002);(225.0,3.503504);(226.0,1.901902);(227.0,0.600601);(228.0,0.2002);(229.0,0.1001);(230.0,0.1001);(233.0,0.1001);(234.0,0.1001);(235.0,0.2002);(236.0,0.4004);(237.0,2.602603);(238.0,1.301301);(239.0,0.500501);(240.0,0.1001);(249.0,0.1001);(250.0,0.1001);(251.0,0.4004);(252.0,34.934935);(253.0,16.716717);(254.0,7.707708);(255.0,1.901902);(256.0,0.4004);(257.0,0.1001);(265.0,0.600601);(266.0,1.001001);(267.0,0.500501);(268.0,0.2002);(269.0,0.1001);(270.0,0.1001);(271.0,0.1001);(272.0,0.1001);(273.0,0.2002);(274.0,0.2002);(275.0,0.1001);(276.0,0.1001);(277.0,0.1001);(278.0,0.1001);(279.0,0.2002);(280.0,0.800801);(281.0,26.326326);(282.0,7.607608);(283.0,3.203203);(284.0,0.700701);(285.0,0.2002);(286.0,0.1001);(295.0,1.701702);(296.0,29.229229);(297.0,8.908909);(298.0,3.603604);(299.0,0.600601);(300.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,3.503504);(86.0,0.700701);(87.0,2.202202);(88.0,1.601602);(89.0,26.726727);(90.0,15.115115);(91.0,10.01001);(92.0,1.401401);(93.0,2.202202);(94.0,0.2002);(95.0,2.302302);(96.0,0.4004);(97.0,1.001001);(98.0,0.2002);(99.0,1.101101);(100.0,0.1001);(101.0,1.101101);(102.0,2.002002);(103.0,8.808809);(104.0,6.306306);(105.0,11.911912);(106.0,2.202202);(107.0,4.304304);(108.0,0.600601);(109.0,1.801802);(110.0,0.3003);(111.0,0.900901);(112.0,0.1001);(113.0,0.3003);(115.0,2.402402);(116.0,1.001001);(117.0,12.012012);(118.0,2.502503);(119.0,4.304304);(120.0,0.800801);(121.0,3.503504);(122.0,0.600601);(123.0,1.401401);(125.0,0.3003);(126.0,0.2002);(128.0,0.2002);(129.0,0.2002);(130.0,0.3003);(131.0,4.504505);(132.0,1.001001);(133.0,22.722723);(134.0,4.004004);(135.0,15.215215);(136.0,2.402402);(137.0,3.103103);(138.0,0.4004);(139.0,0.2002);(141.0,0.1001);(143.0,0.900901);(144.0,0.2002);(145.0,3.203203);(146.0,1.001001);(147.0,32.332332);(148.0,7.407407);(149.0,31.831832);(150.0,5.205205);(151.0,2.602603);(152.0,0.4004);(153.0,0.2002);(154.0,0.2002);(155.0,0.1001);(156.0,0.2002);(157.0,0.2002);(158.0,0.2002);(159.0,0.600601);(160.0,0.3003);(161.0,9.009009);(162.0,2.702703);(163.0,28.828829);(164.0,78.578579);(165.0,14.414414);(166.0,3.803804);(167.0,0.600601);(168.0,0.1001);(169.0,0.1001);(173.0,0.1001);(175.0,1.101101);(176.0,0.700701);(177.0,12.212212);(178.0,3.703704);(179.0,100.0);(180.0,16.916917);(181.0,5.105105);(182.0,0.600601);(183.0,0.2002);(189.0,0.2002);(190.0,0.2002);(191.0,11.711712);(192.0,2.102102);(193.0,3.003003);(194.0,0.700701);(195.0,0.900901);(196.0,0.2002);(199.0,0.1001);(203.0,0.1001);(204.0,0.1001);(205.0,0.3003);(206.0,2.302302);(207.0,1.301301);(208.0,1.901902);(209.0,3.003003);(210.0,0.900901);(211.0,0.600601);(212.0,0.1001);(217.0,0.1001);(219.0,0.4004);(220.0,0.1001);(221.0,0.900901);(222.0,0.3003);(223.0,0.700701);(224.0,0.700701);(225.0,4.604605);(226.0,1.701702);(227.0,0.700701);(228.0,0.1001);(229.0,0.1001);(231.0,0.1001);(233.0,0.1001);(235.0,0.500501);(236.0,0.500501);(237.0,3.403403);(238.0,1.201201);(239.0,0.500501);(240.0,0.1001);(242.0,0.1001);(245.0,0.1001);(246.0,0.1001);(249.0,0.4004);(250.0,0.1001);(251.0,0.600601);(252.0,40.840841);(253.0,16.216216);(254.0,6.806807);(255.0,1.901902);(256.0,0.4004);(265.0,1.701702);(266.0,0.600601);(267.0,0.600601);(268.0,0.2002);(269.0,0.1001);(271.0,0.1001);(273.0,0.1001);(274.0,0.1001);(278.0,0.1001);(279.0,0.3003);(280.0,0.700701);(281.0,27.527528);(282.0,7.307307);(283.0,2.902903);(284.0,0.600601);(285.0,0.1001);(286.0,0.2002);(294.0,0.1001);(295.0,0.600601);(296.0,29.429429);(297.0,8.308308);(298.0,3.203203);(299.0,0.800801);(300.0,0.2002);(301.0,0.1001);(324.0,0.1001);(429.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,0.4004);(61.0,1.601602);(62.0,0.3003);(63.0,1.201201);(64.0,0.2002);(65.0,0.3003);(66.0,0.1001);(67.0,0.4004);(69.0,0.1001);(70.0,0.2002);(71.0,0.3003);(72.0,1.101101);(73.0,100.0);(74.0,9.009009);(75.0,12.112112);(76.0,1.101101);(77.0,2.502503);(78.0,1.001001);(79.0,0.600601);(81.0,0.1001);(82.0,0.700701);(83.0,0.3003);(84.0,0.1001);(85.0,0.4004);(87.0,0.2002);(88.0,0.1001);(89.0,3.203203);(90.0,1.801802);(91.0,1.201201);(92.0,0.1001);(93.0,0.2002);(95.0,0.2002);(97.0,0.1001);(99.0,0.1001);(101.0,0.1001);(102.0,0.2002);(103.0,1.101101);(104.0,0.800801);(105.0,1.501502);(106.0,0.2002);(107.0,0.500501);(109.0,0.2002);(111.0,0.1001);(115.0,0.2002);(116.0,0.1001);(117.0,1.601602);(118.0,0.3003);(119.0,0.500501);(120.0,0.1001);(121.0,0.4004);(123.0,0.1001);(131.0,0.500501);(132.0,0.1001);(133.0,3.103103);(134.0,0.500501);(135.0,1.701702);(136.0,0.2002);(137.0,0.3003);(145.0,0.3003);(146.0,0.1001);(147.0,4.504505);(148.0,0.900901);(149.0,4.004004);(150.0,0.600601);(151.0,0.3003);(161.0,1.001001);(162.0,0.3003);(163.0,3.403403);(164.0,11.311311);(165.0,1.901902);(166.0,0.500501);(175.0,0.1001);(177.0,1.701702);(178.0,0.500501);(179.0,15.315315);(180.0,2.402402);(181.0,0.700701);(191.0,1.001001);(192.0,0.1001);(193.0,0.3003);(195.0,0.1001);(206.0,0.2002);(207.0,0.1001);(208.0,0.2002);(209.0,0.3003);(210.0,0.1001);(221.0,0.1001);(225.0,0.600601);(226.0,0.1001);(237.0,0.500501);(238.0,0.1001);(252.0,6.706707);(253.0,2.502503);(254.0,1.001001);(255.0,0.2002);(265.0,0.2002);(281.0,4.404404);(282.0,1.101101);(283.0,0.4004);(296.0,4.604605);(297.0,1.201201);(298.0,0.4004) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.015);(71.0,0.019);(72.0,0.059);(76.0,0.085);(77.0,0.132);(78.0,0.067);(79.0,0.039);(80.0,0.005);(81.0,0.011);(82.0,0.041);(83.0,0.026);(84.0,0.007);(85.0,0.029);(86.0,0.006);(87.0,0.018);(88.0,0.01);(89.0,0.226);(90.0,0.118);(91.0,0.082);(92.0,0.008);(93.0,0.016);(94.0,0.003);(95.0,0.02);(96.0,0.004);(97.0,0.006);(98.0,0.003);(99.0,0.009);(100.0,0.001);(101.0,0.008);(102.0,0.018);(103.0,0.074);(104.0,0.051);(105.0,0.095);(106.0,0.017);(107.0,0.038);(108.0,0.005);(109.0,0.016);(110.0,0.004);(111.0,0.007);(112.0,0.001);(113.0,0.002);(114.0,0.001);(115.0,0.019);(116.0,0.006);(117.0,0.093);(118.0,0.016);(119.0,0.041);(120.0,0.007);(121.0,0.031);(122.0,0.005);(123.0,0.011);(124.0,0.003);(125.0,0.002);(126.0,0.001);(127.0,0.001);(128.0,0.003);(129.0,0.003);(130.0,0.003);(131.0,0.041);(132.0,0.007);(133.0,0.167);(134.0,0.03);(135.0,0.143);(136.0,0.021);(137.0,0.029);(138.0,0.004);(139.0,0.002);(140.0,0.001);(141.0,0.001);(142.0,0.001);(143.0,0.006);(144.0,0.002);(145.0,0.028);(146.0,0.006);(150.0,0.047);(151.0,0.021);(152.0,0.004);(153.0,0.002);(154.0,0.001);(155.0,0.001);(156.0,0.001);(157.0,0.002);(158.0,0.001);(159.0,0.005);(160.0,0.003);(161.0,0.085);(162.0,0.021);(163.0,0.274);(164.0,0.641);(165.0,0.115);(166.0,0.031);(167.0,0.005);(168.0,0.001);(169.0,0.001);(170.0,0.0);(171.0,0.001);(172.0,0.0);(173.0,0.001);(174.0,0.001);(175.0,0.009);(176.0,0.005);(177.0,0.108);(178.0,0.033);(179.0,1.0);(180.0,0.17);(181.0,0.05);(182.0,0.008);(183.0,0.001);(184.0,0.001);(185.0,0.0);(186.0,0.0);(187.0,0.0);(188.0,0.0);(189.0,0.002);(190.0,0.002);(191.0,0.136);(192.0,0.024);(193.0,0.033);(194.0,0.006);(195.0,0.007);(196.0,0.002);(197.0,0.001);(198.0,0.0);(199.0,0.0);(200.0,0.0);(201.0,0.0);(202.0,0.0);(203.0,0.001);(204.0,0.001);(205.0,0.004);(206.0,0.017);(207.0,0.011);(208.0,0.02);(209.0,0.029);(210.0,0.008);(211.0,0.006);(212.0,0.001);(213.0,0.001);(214.0,0.0);(215.0,0.0);(216.0,0.0);(217.0,0.001);(218.0,0.001);(219.0,0.003);(220.0,0.002);(221.0,0.007);(222.0,0.003);(223.0,0.006);(224.0,0.003);(225.0,0.046);(226.0,0.014);(227.0,0.005);(228.0,0.001);(229.0,0.001);(230.0,0.0);(231.0,0.0);(232.0,0.0);(233.0,0.001);(234.0,0.001);(235.0,0.004);(236.0,0.004);(237.0,0.031);(238.0,0.008);(239.0,0.004);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(244.0,0.0);(245.0,0.0);(246.0,0.0);(247.0,0.001);(248.0,0.0);(249.0,0.002);(250.0,0.001);(251.0,0.004);(252.0,0.393);(253.0,0.144);(254.0,0.06);(255.0,0.016);(256.0,0.003);(257.0,0.001);(258.0,0.0);(259.0,0.0);(260.0,0.0);(261.0,0.0);(263.0,0.0);(264.0,0.0);(265.0,0.013);(266.0,0.006);(267.0,0.007);(268.0,0.002);(269.0,0.001);(270.0,0.001);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.001);(276.0,0.001);(277.0,0.001);(278.0,0.001);(279.0,0.002);(280.0,0.003);(281.0,0.282);(282.0,0.072);(283.0,0.029);(284.0,0.005);(285.0,0.001);(286.0,0.001);(287.0,0.0);(288.0,0.0);(289.0,0.0);(294.0,0.0);(295.0,0.003);(296.0,0.324);(297.0,0.087);(298.0,0.037);(299.0,0.006);(300.0,0.001);(301.0,0.0);(302.0,0.0);(303.0,0.0);(304.0,0.0);(315.0,0.0);(316.0,0.0);(317.0,0.0);(318.0,0.0);(333.0,0.0);(334.0,0.0);(369.0,0.0) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,3.203203);(86.0,2.002002);(87.0,4.004004);(88.0,2.502503);(89.0,34.534535);(90.0,18.018018);(91.0,11.811812);(92.0,2.902903);(93.0,3.303303);(94.0,0.700701);(95.0,2.902903);(96.0,1.401401);(97.0,3.603604);(98.0,1.601602);(99.0,1.401401);(100.0,1.601602);(101.0,1.301301);(102.0,2.502503);(103.0,10.11011);(104.0,7.407407);(105.0,15.015015);(106.0,3.403403);(107.0,7.407407);(108.0,1.101101);(109.0,1.801802);(110.0,1.501502);(111.0,1.801802);(112.0,1.001001);(113.0,0.500501);(114.0,1.201201);(115.0,4.004004);(116.0,1.901902);(117.0,14.514515);(118.0,3.003003);(119.0,4.504505);(120.0,1.501502);(121.0,4.304304);(122.0,1.801802);(123.0,1.401401);(124.0,2.202202);(125.0,1.101101);(126.0,1.101101);(127.0,0.900901);(128.0,0.500501);(129.0,1.301301);(130.0,2.102102);(131.0,4.804805);(132.0,1.801802);(133.0,20.720721);(134.0,5.805806);(135.0,19.219219);(136.0,4.804805);(137.0,4.704705);(138.0,2.002002);(139.0,1.301301);(140.0,0.600601);(141.0,0.700701);(142.0,1.801802);(143.0,0.900901);(144.0,0.600601);(145.0,4.204204);(146.0,2.802803);(147.0,35.135135);(148.0,8.808809);(149.0,35.235235);(150.0,6.306306);(151.0,3.203203);(152.0,2.902903);(153.0,1.101101);(155.0,1.001001);(156.0,2.302302);(157.0,2.002002);(158.0,1.001001);(159.0,1.601602);(160.0,2.402402);(161.0,10.31031);(162.0,2.402402);(163.0,28.628629);(164.0,75.175175);(165.0,13.213213);(166.0,4.904905);(167.0,2.802803);(168.0,1.801802);(169.0,1.501502);(170.0,1.301301);(171.0,0.700701);(172.0,1.101101);(173.0,1.401401);(174.0,1.301301);(175.0,2.502503);(176.0,0.900901);(177.0,9.409409);(178.0,5.005005);(179.0,100.0);(180.0,16.716717);(181.0,6.106106);(182.0,1.201201);(183.0,0.900901);(184.0,1.001001);(185.0,0.700701);(186.0,1.001001);(187.0,1.401401);(188.0,1.301301);(189.0,0.4004);(190.0,1.701702);(191.0,10.810811);(192.0,3.203203);(193.0,2.802803);(194.0,1.701702);(195.0,2.802803);(196.0,0.700701);(197.0,1.001001);(198.0,1.501502);(199.0,1.201201);(200.0,0.700701);(201.0,0.700701);(202.0,0.600601);(203.0,0.800801);(204.0,1.201201);(205.0,0.900901);(206.0,3.203203);(207.0,3.103103);(208.0,3.003003);(209.0,2.702703);(210.0,3.003003);(211.0,1.901902);(212.0,0.1001);(213.0,0.700701);(214.0,1.101101);(215.0,0.800801);(216.0,1.301301);(217.0,1.101101);(218.0,2.002002);(219.0,2.302302);(220.0,1.201201);(221.0,2.902903);(222.0,1.601602);(223.0,1.301301);(224.0,0.3003);(225.0,5.005005);(226.0,2.202202);(227.0,1.901902);(228.0,1.101101);(229.0,1.201201);(230.0,0.900901);(231.0,1.101101);(232.0,2.402402);(233.0,1.101101);(234.0,1.801802);(235.0,2.002002);(236.0,2.002002);(237.0,4.804805);(238.0,1.701702);(239.0,2.202202);(240.0,1.901902);(241.0,1.301301);(242.0,0.600601);(243.0,0.800801);(244.0,1.601602);(245.0,1.201201);(246.0,1.101101);(247.0,2.002002);(248.0,1.501502);(249.0,0.4004);(250.0,1.101101);(251.0,1.901902);(252.0,36.636637);(253.0,14.514515);(254.0,6.506507);(255.0,2.502503);(256.0,2.302302);(257.0,0.900901);(258.0,1.001001);(259.0,1.301301);(260.0,2.702703);(261.0,1.801802);(262.0,2.102102);(263.0,1.101101);(264.0,0.800801);(265.0,1.601602);(266.0,1.401401);(267.0,1.601602);(268.0,1.001001);(269.0,0.600601);(270.0,1.501502);(271.0,0.800801);(272.0,1.301301);(273.0,0.700701);(274.0,0.700701);(275.0,1.301301);(276.0,1.401401);(277.0,0.900901);(278.0,0.900901);(279.0,1.501502);(280.0,2.502503);(281.0,23.723724);(282.0,6.206206);(283.0,3.303303);(284.0,2.402402);(285.0,2.502503);(286.0,1.001001);(287.0,2.202202);(288.0,1.101101);(289.0,0.600601);(290.0,1.801802);(291.0,2.002002);(292.0,0.3003);(293.0,0.4004);(294.0,0.900901);(295.0,1.301301);(296.0,23.223223);(297.0,6.606607);(298.0,2.802803);(299.0,2.202202);(300.0,1.801802);(301.0,1.901902);(302.0,0.600601);(303.0,1.301301);(304.0,0.4004);(305.0,1.101101);(306.0,0.500501);(307.0,1.901902);(308.0,1.001001);(309.0,1.201201);(310.0,0.500501);(311.0,0.700701);(312.0,1.201201);(313.0,1.201201);(314.0,1.501502);(315.0,1.901902);(316.0,0.700701);(317.0,0.2002);(318.0,1.201201);(319.0,1.401401);(320.0,1.101101);(321.0,1.401401);(322.0,1.301301);(323.0,2.002002);(324.0,1.101101);(325.0,1.401401);(326.0,1.901902);(327.0,1.601602);(328.0,1.301301);(329.0,1.001001);(330.0,0.600601);(331.0,1.001001);(332.0,1.601602);(333.0,2.002002);(334.0,0.500501);(335.0,2.602603);(336.0,0.1001);(337.0,0.500501);(338.0,0.800801);(339.0,1.001001);(340.0,1.501502);(341.0,0.700701);(342.0,1.201201);(343.0,1.101101);(344.0,0.3003);(345.0,0.700701);(346.0,1.801802);(347.0,1.201201);(348.0,1.201201);(349.0,2.202202);(350.0,2.002002);(351.0,0.700701);(352.0,1.501502);(353.0,0.700701);(354.0,1.101101);(355.0,1.401401);(356.0,2.402402);(357.0,1.501502);(358.0,1.501502);(359.0,1.101101);(360.0,2.002002);(361.0,0.900901);(362.0,1.201201);(363.0,0.800801);(364.0,1.301301);(365.0,1.501502);(366.0,0.900901);(367.0,1.101101);(368.0,0.1001);(369.0,0.900901);(370.0,1.601602);(371.0,2.202202);(372.0,1.501502);(373.0,0.800801);(374.0,0.500501);(375.0,1.801802);(376.0,0.2002);(377.0,0.4004);(378.0,1.701702);(379.0,1.501502);(380.0,0.3003);(381.0,0.500501);(382.0,1.801802);(383.0,0.600601);(384.0,1.101101);(385.0,1.301301);(386.0,1.301301);(387.0,0.700701);(388.0,2.402402);(389.0,0.800801);(390.0,1.701702);(391.0,1.501502);(392.0,0.700701);(393.0,1.601602);(394.0,0.500501);(395.0,1.001001);(396.0,1.401401);(397.0,2.002002);(398.0,2.402402);(399.0,0.2002);(400.0,1.301301);(401.0,1.901902);(402.0,0.800801);(403.0,1.901902);(404.0,0.4004);(405.0,1.601602);(406.0,1.501502);(407.0,1.201201);(408.0,0.800801);(409.0,1.501502);(410.0,1.801802);(411.0,0.800801);(412.0,1.101101);(413.0,1.701702);(414.0,0.3003);(415.0,0.800801);(416.0,1.001001);(417.0,1.001001);(418.0,1.201201);(419.0,0.600601);(420.0,0.3003);(421.0,1.701702);(422.0,1.001001);(423.0,1.401401);(424.0,0.600601);(425.0,1.401401);(426.0,0.2002);(427.0,0.4004);(428.0,1.901902);(429.0,1.201201);(430.0,1.401401);(431.0,0.2002);(432.0,1.701702);(433.0,0.900901);(434.0,2.402402);(435.0,1.201201);(436.0,0.800801);(437.0,1.201201);(438.0,1.401401);(439.0,0.800801);(440.0,0.900901);(441.0,0.800801);(442.0,0.700701);(443.0,1.201201);(444.0,1.201201);(445.0,2.302302);(446.0,1.401401);(447.0,0.900901);(448.0,1.201201);(449.0,0.900901);(450.0,0.600601);(451.0,1.201201);(452.0,0.800801);(453.0,1.101101);(454.0,1.001001);(455.0,1.601602);(456.0,0.700701);(457.0,1.101101);(458.0,1.201201);(459.0,1.401401);(460.0,0.600601);(461.0,0.2002);(462.0,1.501502);(463.0,1.001001);(464.0,1.501502);(465.0,0.900901);(466.0,1.101101);(467.0,1.901902);(468.0,0.2002);(469.0,1.401401);(470.0,1.301301);(471.0,1.001001);(472.0,1.601602);(473.0,1.701702);(474.0,1.601602);(475.0,1.801802);(476.0,1.501502);(477.0,0.2002);(478.0,1.201201);(479.0,1.201201);(480.0,1.001001);(481.0,1.201201);(482.0,0.1001);(483.0,0.600601);(484.0,1.201201);(485.0,0.800801);(486.0,0.600601);(487.0,0.500501);(488.0,1.401401);(489.0,0.700701);(490.0,1.101101);(491.0,1.001001);(492.0,1.401401);(493.0,0.900901);(494.0,0.500501);(495.0,1.501502);(496.0,1.601602);(497.0,0.600601);(498.0,0.700701);(499.0,1.201201);(500.0,1.601602) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.667500285);(27.02292522,1.39376831);(31.05422362,1.020670067);(39.02292522,0.8325222573);(41.00219012,1.156563692);(44.99710422,2.232326475);(49.00727602,1.133824823);(51.02292522,0.8998319916);(53.00219012,1.815953653);(53.03857442,1.271088196);(59.01275342,0.8093580844);(65.03857442,0.8619573575);(67.01783932,0.8550359988);(75.02292522,1.401363677);(77.00219012,1.721843935);(77.03857442,4.352002934);(79.01783932,3.301734376);(79.05422362,5.235393037);(81.03348852,2.206667143);(104.0256639,1.791652861);(105.0334885,3.421211653);(106.0413131,8.523467628);(107.0491377,19.26847791);(108.0525356,1.537286908);(108.0569623,7.292496955);(117.0334885,0.9761613262);(123.0440518,1.435565024);(134.0362272,5.500748518);(135.0440518,5.000786762);(151.0389659,2.342428667);(152.0467905,8.74030949) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (71.03115062,0.9678104286);(73.01041552,1.37068329);(73.04679982,10.54323335);(74.04796012,0.9021447968);(75.02606472,2.743172727);(89.04171392,3.593602301);(90.04953852,1.4512174);(91.05736312,1.254473495);(107.0491377,0.9746515226);(117.036628,1.219234771);(163.0573631,2.609853711);(165.0730123,3.526126046);(178.0808369,1.315943317);(179.0886615,20.49675354);(180.0908978,3.386036865);(180.0964861,1.254523709);(181.0878277,0.971324185);(181.1043107,1.333110183);(193.0679264,0.7763017593);(195.0835756,1.777926949);(207.0835756,3.617861804);(208.085887,0.6395204287);(209.0628405,1.488498838);(222.0706651,0.6956357596);(223.0784897,1.798526304);(224.0863143,1.10945405);(225.0941389,1.425474709);(280.0945397,0.6877231764);(281.1023643,4.198906065);(282.1042326,1.054196955);(296.1258381,0.6144319849) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (25.00727602,0.565901907);(44.99710422,2.687980807);(53.00219012,0.6033614725);(59.01275342,0.5474005444);(71.01275342,0.5548480621);(79.01783932,1.064854301);(79.05422362,0.8483244041);(81.03348852,0.9250296348);(97.02840262,0.5356976794);(104.0256639,1.898915409);(105.0334885,5.32372233);(106.0413131,9.611589014);(107.0447056,0.765394431);(107.0491377,29.1192359);(108.0525356,2.323204787);(108.0569623,7.341533091);(109.0603656,0.5868270949);(121.0284026,0.7648924341);(122.0362272,0.670170424);(123.0440518,0.9566765246);(124.0518764,0.7458186552);(134.0362272,3.055774393);(135.0440518,1.521606936);(150.0311413,0.842081301);(151.0389659,0.6871924383);(152.0467905,5.52407759) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.01550142,1.196167355);(59.03115062,1.105382161);(71.03115062,1.252807752);(73.01041552,1.119488248);(73.04679982,10.17262297);(74.05462442,1.023158801);(75.02606472,3.384745525);(75.06244902,0.9809821913);(89.04171392,4.657175339);(90.04953852,1.911715931);(91.05736312,1.623886325);(105.0334885,2.903779512);(106.0413131,2.598748302);(107.0491377,25.2995864);(108.0525356,2.018463687);(108.0569623,3.785401847);(109.0647869,2.434312035);(117.036628,1.669674756);(135.0440518,4.802883053);(151.0389659,1.913989641);(152.0467905,1.004337563);(209.0628405,2.443574078);(224.0863143,1.108394781) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.696708572);(27.02292522,1.911650341);(29.03857442,1.061786589);(44.99710422,2.093530589);(71.03115062,0.8309220349);(73.04679982,9.493395403);(74.04796012,0.8123141149);(77.03857442,0.9874857732);(95.01275342,1.094820486);(97.02840262,1.045262181);(107.0491377,3.525576643);(113.0417139,0.7612275865);(121.0284026,1.121604208);(123.0440518,2.65221098);(135.0440518,0.7580892508);(151.0389659,3.043499012);(151.0573631,1.480467861);(152.0467905,1.809093764);(153.0546151,1.62751844);(163.0573631,2.749756626);(165.0730123,4.097149087);(178.0808369,1.709469416);(179.0886615,5.263019789);(180.0908978,0.8694439824);(180.0964861,1.362382457);(191.0522772,1.024610668);(206.075751,0.723935904);(207.0835756,2.116239645);(209.0628405,4.050752119);(223.0784897,0.8158551221);(224.0863143,1.489991163) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,0.8646472361);(57.01550142,1.027103535);(57.06987282,1.784968467);(59.03115062,2.753336197);(59.08552202,0.6355934115);(73.01041552,2.531893333);(75.02606472,8.4466879);(76.03388932,0.675659037);(77.04171392,2.240251621);(103.0209788,0.9177113751);(105.0334885,1.968590562);(106.0413131,1.425931608);(107.0491377,18.16322773);(108.0525356,1.44910731);(108.0569623,2.986421121);(109.0647869,3.070450154);(115.0937474,1.112215606);(117.0730123,1.285640718);(131.0886615,1.720863697);(135.0440518,5.822543957);(151.0389659,2.22685966);(152.0467905,1.089211373);(153.0546151,2.378923406);(181.0679264,0.8462245972);(195.0471913,0.797056386);(208.0550159,0.82965582);(209.0628405,3.819268758);(210.0650785,0.6326559633);(210.0706651,1.291513522);(211.0784897,0.8246251877);(251.1097881,0.9270770531) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.165907121);(27.02292522,1.490954953);(44.99710422,2.339605456);(55.05422362,0.9678302415);(57.06987282,2.026227361);(59.03115062,1.827694145);(59.08552202,0.6913804795);(73.01041552,0.7989571319);(95.01275342,0.8495991872);(97.02840262,0.9344835364);(107.0491377,1.292932069);(115.0937474,0.8256269064);(121.0284026,1.090147848);(123.0440518,2.330728796);(135.0440518,1.094389029);(149.0417139,0.8428432616);(151.0389659,4.875627763);(152.0467905,3.38933448);(153.0546151,4.126602431);(163.0573631,3.950604109);(165.0730123,6.945847042);(166.0751592,1.067609543);(191.0522772,1.152491891);(195.0471913,1.522316571);(207.1199599,0.7987750266);(209.0628405,5.433870389);(210.0650785,0.9001122267);(210.0706651,1.300641784);(211.0784897,1.39128725);(221.1356091,1.758030017);(251.1097881,2.47056191) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,0.6418457071);(55.05422362,1.144240036);(57.06987282,1.912864359);(73.01041552,1.185810628);(75.02606472,3.342185322);(77.04171392,0.8194720417);(115.0937474,2.471197286);(131.0886615,4.648458742);(163.0573631,2.0836046);(165.0730123,2.757412588);(209.0628405,3.870709301);(210.0650785,0.6411770097);(221.1356091,10.09110944);(222.1380518,2.014998551);(223.1512583,1.338064522);(237.1305232,1.071032392);(249.1305232,3.052893167);(250.1330175,0.6449218397);(265.0710659,2.162581475);(265.1254373,1.528927997);(267.0867151,7.2719761);(267.1410865,1.448784144);(268.0885084,1.742152446);(269.0858427,0.7179402799);(269.1023643,1.711659292);(309.1336627,1.707873507);(323.1493119,3.654780189);(324.151369,1.043609883);(324.1571365,0.8404348658);(325.1649611,1.145249007);(365.1962595,1.982928204) | | LC-MS/MS | Quattro_QQQ | Negative | low | View Spectrum | (79.408,3.276);(107.292,100.0);(151.209,50.0) | | LC-MS/MS | Quattro_QQQ | Negative | med | View Spectrum | (45.597,9.746);(65.465,4.131);(77.389,57.062);(79.392,100.0);(93.314,27.119);(105.265,21.186);(105.858,5.014);(107.16,59.887);(151.255,6.427) | | LC-MS/MS | Quattro_QQQ | Negative | high | View Spectrum | (45.566,54.464);(51.565,22.619);(53.552,14.658);(58.468,9.226);(65.458,33.333);(77.389,95.238);(79.376,73.214);(93.298,100.0);(104.86,14.583);(105.67,28.571);(107.44,62.5);(149.329,8.631);(150.257,20.238);(151.279,50.893) | | LC-MS/MS | EI-B (HITACHI M-68) | Positive | Not Available | View Spectrum | (38.0,0.01001001);(50.0,0.023023023);(51.0,0.0560560561);(52.0,0.026026026);(53.0,0.035035035);(77.0,0.1181181181);(78.0,0.044044044);(79.0,0.002002002);(107.0,1.0);(108.0,0.0770770771);(109.0,0.015015015);(152.0,0.034034034);(153.0,0.03003003) | | LC-MS/MS | EI-B (HITACHI M-52) | Positive | Not Available | View Spectrum | (39.0,0.048048048);(40.0,0.012012012);(41.0,0.0560560561);(42.0,0.002002002);(43.0,0.0600600601);(44.0,0.012012012);(45.0,0.02002002);(49.0,0.001001001);(50.0,0.04004004);(51.0,0.0560560561);(52.0,0.036036036);(53.0,0.003003003);(54.0,0.012012012);(55.0,0.0600600601);(56.0,0.012012012);(57.0,0.009009009);(58.0,0.012012012);(67.0,0.028028028);(68.0,0.016016016);(69.0,0.0520520521);(70.0,0.001001001);(71.0,0.04004004);(73.0,0.032032032);(74.0,0.016016016);(77.0,0.016016016);(78.0,0.04004004);(79.0,0.0560560561);(81.0,0.024024024);(82.0,0.002002002);(83.0,0.028028028);(84.0,0.012012012);(85.0,0.024024024);(91.0,0.003003003);(95.0,0.016016016);(96.0,0.016016016);(97.0,0.016016016);(98.0,0.001001001);(99.0,0.012012012);(101.0,0.012012012);(105.0,0.016016016);(107.0,1.0);(108.0,0.1081081081);(109.0,0.028028028);(111.0,0.012012012);(119.0,0.002002002);(121.0,0.012012012);(123.0,0.012012012);(127.0,0.012012012);(129.0,0.002002002);(135.0,0.012012012);(147.0,0.012012012);(149.0,0.028028028);(152.0,0.032032032);(153.0,0.028028028) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.1,0.1481481481);(80.9,0.001001001);(91.7,0.002002002);(92.8,0.005005005);(95.2,0.002002002);(106.1,0.011011011);(107.2,0.5905905906);(108.1,0.002002002);(114.7,0.001001001);(119.8,0.003003003);(121.2,0.009009009);(135.6,0.004004004);(136.1,0.002002002);(151.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.2,0.5045045045);(76.9,0.007007007);(79.1,0.0740740741);(92.2,0.027027027);(93.0,0.009009009);(105.1,0.0510510511);(106.2,0.021021021);(107.0,1.0);(107.8,0.003003003);(136.0,0.1351351351);(151.1,0.1461461461) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.1,1.0);(77.0,0.0740740741);(79.1,0.3823823824);(92.0,0.1351351351);(92.9,0.0740740741);(104.9,0.1521521522);(106.6,0.043043043);(107.3,0.3393393393);(107.8,0.0650650651);(136.1,0.0560560561) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (58.8,1.0);(77.0,0.2422422422);(79.2,0.1361361361);(93.0,0.2122122122);(107.2,0.1061061061) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.0,1.0);(92.3,0.2502502503) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.1,14.832536);(80.9,0.095694);(91.7,0.15949);(92.8,0.542265);(95.2,0.15949);(106.1,1.052632);(107.2,59.106858);(108.1,0.15949);(114.7,0.127592);(119.8,0.318979);(121.2,0.92504);(135.6,0.382775);(136.1,0.191388);(151.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.2,50.497866);(76.9,0.711238);(79.1,7.396871);(92.2,2.702703);(93.0,0.853485);(105.1,5.12091);(106.2,2.133713);(107.0,100.0);(107.8,0.284495);(136.0,13.513514);(151.1,14.651494) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.1,100.0);(77.0,7.391304);(79.1,38.26087);(92.0,13.478261);(92.9,7.391304);(104.9,15.217391);(106.6,4.347826);(107.3,33.913043);(107.8,6.521739);(136.1,5.652174) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (58.8,100.0);(77.0,24.242424);(79.2,13.636364);(93.0,21.212121);(107.2,10.606061) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.0,100.0);(92.3,25.0) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (79.164492,0.218722);(81.144619,0.364035);(83.15032,0.387964);(106.141744,0.255426);(107.130806,37.867075);(108.083335,0.263736);(121.114914,0.636917);(123.114843,1.285734);(136.092618,0.205972);(151.066962,0.226051) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (79.136245,0.191588);(81.145554,0.442398);(83.187138,0.287837);(106.250002,0.212592);(107.132624,37.434672);(108.166668,0.286101);(109.118766,0.287038);(121.120573,0.503447);(123.116648,1.483215);(136.097292,0.294682) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (60.238206,13.240511);(70.210843,1.943959);(72.243612,0.428745);(87.144075,0.21337);(105.111503,0.168152);(112.123821,1.64064);(113.123165,0.291534);(114.154275,1.022506);(115.140938,0.72067);(116.135887,15.708601);(119.153966,0.532599);(128.833336,0.162052);(129.083336,0.187355);(130.160776,11.207863);(131.067983,0.323057);(133.168622,0.926795);(135.072177,0.723112);(140.104557,0.821999);(143.016698,1.40046);(145.000003,0.283731);(145.02439,0.283731);(147.133277,1.619674);(148.045656,0.185496);(157.127341,24.421823);(158.129938,30.188764);(160.124604,0.289151);(175.06503,0.197503) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (60.23418,13.749163);(70.206804,2.284284);(72.192188,0.560366);(97.132896,0.19925);(105.151301,0.229199);(112.115446,1.777842);(113.084059,0.38485);(114.158236,1.229745);(115.135582,0.895929);(116.133159,17.94151);(119.14666,0.560427);(127.079865,0.161672);(129.152411,0.260202);(130.151349,11.516295);(130.750002,0.188875);(131.083336,0.358012);(133.132985,1.08539);(134.123884,0.16234);(135.143322,0.795586);(140.115875,0.864582);(143.021068,1.401172);(144.998734,0.38973);(147.129686,1.529619);(148.16667,0.180291);(157.139459,26.835135);(158.133162,32.031253);(160.083337,0.182967);(160.333337,0.178166) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.01738,2.2);(59.07317,2.5);(77.03919,5.7);(79.05463,2.9);(88.94247,1.6);(107.04943,100.0);(125.05935,1.6);(135.09841,1.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.03794,4.4);(43.01747,12.3);(51.02305,48.5);(52.02959,1.6);(53.03941,7.9);(55.01784,7.7);(56.96428,5.1);(63.02286,3.5);(65.03874,1.6);(68.02673,5.1);(77.03897,100.0);(78.04748,2.3);(79.05482,20.7);(81.03376,1.5);(107.04906,29.9);(135.56826,1.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.0172,37.6);(55.05325,10.6);(56.31752,1.7);(57.03168,2.6);(67.10865,1.4);(69.06755,7.5);(71.06112,4.4);(77.03827,7.8);(79.0539,50.6);(81.06824,9.4);(83.0493,24.3);(93.06899,3.1);(95.04885,7.6);(96.06716,4.0);(97.06345,16.0);(107.04851,87.8);(110.0588,6.1);(111.08226,8.5);(120.85776,1.4);(125.05982,100.0);(135.08989,1.6);(136.10551,2.7);(153.05344,1.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02304,2.1);(43.01743,1.1);(77.03869,14.2);(79.05431,7.2);(83.04909,2.1);(88.95337,1.6);(95.05014,1.2);(107.04967,100.0);(122.07032,2.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (107.0515,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (30.46358,3.9);(93.03256,100.0);(106.03785,44.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (35.69735,2.0);(39.02216,7.6);(40.02537,22.0);(43.01742,59.8);(48.98349,5.6);(51.02199,100.0);(53.03847,10.4);(55.05313,16.6);(65.03773,2.2);(67.05173,10.3);(68.05458,6.1);(70.06388,9.2);(77.03865,97.6);(78.04194,19.8);(81.04477,10.7);(82.06486,18.0);(83.04681,3.5);(95.05787,12.5);(97.07385,27.1);(109.07689,5.9);(109.81642,2.2);(137.10487,8.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.01724,34.7);(46.03928,5.0);(46.96931,5.7);(55.05358,10.0);(58.0657,3.7);(59.25723,1.6);(65.03775,16.4);(71.0592,3.2);(77.03862,100.0);(79.05288,34.7);(79.63688,1.4);(82.06467,3.5);(83.04954,5.0);(91.05616,2.4);(93.45522,2.2);(95.05815,8.7);(96.06956,4.4);(97.07557,9.9);(97.62548,1.3);(107.05062,12.4);(108.05604,4.8);(110.08557,4.8);(124.06244,2.7);(125.06037,16.4);(135.03737,2.6);(136.05247,1.7);(137.98074,1.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (51.02819,27.6);(65.03877,100.0);(93.06509,3.1);(117.52113,11.1) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (42.00852,10.7);(77.03967,40.9);(79.05482,87.6);(93.0351,18.4);(105.03602,27.1);(106.05406,41.0);(107.05252,100.0);(107.69225,3.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (79.05594,18.7);(105.03299,5.2);(107.04996,100.0);(107.65695,2.1);(136.03562,2.5);(151.02508,17.4) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (79.05491,16.6);(93.05168,3.6);(105.03619,3.0);(106.05407,2.6);(107.0507,100.0);(108.06401,1.3);(151.0414,43.4) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (43.45309,8.3);(54.0809,6.6);(77.03891,25.2);(79.07991,8.0);(93.03136,5.1);(107.05093,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.00195,4.6);(45.00479,6.9);(52.86201,1.5);(79.0532,6.7);(93.03074,5.8);(107.04895,100.0);(132.93487,2.5);(151.04046,24.5) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.04803,7.6);(79.05286,100.0);(93.03242,14.5);(105.03167,53.6);(106.03911,20.9);(107.04747,85.6);(107.98989,6.4);(145.12186,6.4) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.1858201243);(44.99765427,0.0694172227);(55.01838972,0.0952233318);(57.03403978,0.0837934594);(67.01838972,0.0253216235);(69.03403978,0.0505902117);(71.01330434,0.0566897657);(73.0289544,0.0586862361);(77.03912516,0.0822300068);(79.01838972,0.0531440704);(81.03403978,0.1271877288);(83.04968984,0.0844739138);(85.0289544,0.0476675124);(93.03403978,0.0301951865);(97.0289544,0.0229827123);(99.04460446,0.0459292329);(103.0183897,0.0311765799);(105.0340398,0.1188568409);(107.0133043,0.0309355644);(107.0496898,17.24289043);(109.0289544,0.0379527838);(109.0653399,1.886620613);(111.0446045,0.0686849744);(121.0289544,0.1336439746);(123.008219,0.0345620463);(123.0446045,0.2189311643);(125.023869,0.0642546201);(127.0395191,0.0492450296);(135.0446045,35.54743748);(137.023869,0.0409691945);(153.0551691,43.37448637) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (19.01838972,0.0933698229);(44.99765427,0.0790594426);(51.0234751,0.5517495892);(53.03912516,0.4361277694);(55.01838972,0.1825848522);(57.03403978,0.1393237982);(67.01838972,0.1044489015);(67.05477522,0.0804465122);(71.01330434,0.1074305119);(73.0289544,0.1128307686);(77.03912516,1.099602825);(79.01838972,0.547727364);(79.05477522,0.3097096673);(81.03403978,0.6090313054);(83.04968984,0.2301593499);(85.0289544,0.0890031928);(93.03403978,0.5029147598);(95.01330434,0.1435638885);(97.0289544,0.1681072735);(99.04460446,0.1251801233);(103.0183897,0.6445335003);(105.0340398,0.2970475839);(107.0496898,52.57917088);(109.0289544,0.0831498343);(109.0653399,5.06228919);(111.0446045,0.5305695812);(121.0289544,0.1721205289);(123.0446045,0.4629341361);(125.023869,0.0837630213);(135.0446045,22.65181653);(153.0551691,11.7202335) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (19.01838972,0.2091554494);(27.0234751,0.2201547271);(44.99765427,1.030133179);(51.0234751,4.919852403);(53.03912516,2.749031712);(55.01838972,1.346779842);(57.03403978,0.7096003769);(65.03912516,0.2637264768);(67.01838972,0.9701141772);(67.05477522,0.6863066502);(71.01330434,0.3380166891);(73.0289544,0.2028621101);(77.03912516,23.99522214);(79.01838972,4.654264695);(79.05477522,4.85753772);(81.03403978,5.564632617);(83.04968984,0.68985191);(85.0289544,0.7174654052);(93.03403978,1.336866738);(103.0183897,0.7568246455);(105.0340398,1.503223454);(107.0496898,30.09854917);(109.0289544,0.6156382098);(109.0653399,3.859139088);(111.0446045,0.5263964063);(121.0289544,0.5311047266);(123.008219,0.3365682267);(123.0446045,0.979318451);(127.0395191,0.1911359601);(135.0446045,4.023571645);(153.0551691,1.116954999) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.1946914714);(39.0234751,0.0024322353);(41.00273965,0.0596543385);(44.99765427,0.2025957709);(65.03912516,0.0204342642);(67.01838972,0.0411854746);(71.01330434,0.0155453234);(73.0289544,0.0076829644);(75.0234751,0.0144317447);(77.00273965,0.0052204653);(77.03912516,0.0246349365);(79.01838972,0.0089919437);(81.03403978,0.0254348772);(83.01330434,0.0188715621);(91.01838972,0.0031249338);(92.99765427,0.0081802485);(95.01330434,0.0102211556);(97.0289544,0.012366179);(103.0183897,0.001610779);(105.0340398,1.122026605);(107.0133043,0.0034664864);(107.0496898,34.12126287);(109.0289544,0.0260592305);(119.0133043,0.0583031542);(120.9925689,0.004838877);(121.0289544,0.1120110317);(123.008219,0.0087523155);(125.023869,0.0561557943);(133.0289544,3.213809631);(135.008219,0.0368510896);(151.0395191,60.55915225) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.3189096962);(39.0234751,0.0516484376);(41.00273965,0.0617292066);(44.99765427,1.545025955);(65.03912516,0.3303744329);(67.01838972,0.0749414721);(71.01330434,0.0989418119);(73.0289544,0.0299474722);(75.0234751,0.1442353848);(77.00273965,0.0552934686);(77.03912516,0.3581650856);(79.01838972,0.0743424855);(81.03403978,0.2441822412);(83.01330434,0.0817915161);(91.01838972,0.0579111618);(92.99765427,0.0970456929);(95.01330434,0.0720924929);(97.0289544,0.0729908926);(103.0183897,0.0324796666);(105.0340398,2.878856227);(107.0133043,0.0349181248);(107.0496898,42.20662676);(109.0289544,0.3156814089);(119.0133043,0.554778089);(120.9925689,0.0479985076);(121.0289544,0.3094776519);(123.008219,0.1149033969);(125.023869,0.1789769646);(133.0289544,6.48139076);(135.008219,0.2953118506);(151.0395191,42.77903168) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.0234751,0.4199235203);(41.00273965,1.804679646);(44.99765427,5.181083905);(51.0234751,0.4197583877);(59.01330434,0.9506383368);(65.00273965,0.4789687754);(65.03912516,1.23002103);(67.01838972,2.082105951);(75.0234751,2.043543226);(77.00273965,2.006511233);(77.03912516,3.83130037);(79.01838972,0.973135499);(81.03403978,0.7633565534);(83.01330434,0.4671651755);(91.01838972,1.325036082);(92.99765427,0.5252654803);(95.01330434,0.2547138891);(101.0027397,1.275222094);(103.0183897,1.824094947);(105.0340398,8.367432679);(107.0133043,0.5440619172);(107.0496898,24.76549291);(109.0289544,0.9154117475);(119.0133043,1.919337673);(120.9925689,0.3501729557);(121.0289544,1.629525286);(123.008219,0.43294278);(125.023869,0.4000456409);(133.0289544,25.88413293);(135.008219,0.5179346218);(151.0395191,6.41698475) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (107.05024,84.0);(107.05024,84.0);(107.05024,84.0);(151.04007,100.0);(151.04007,100.0);(151.04007,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (105.03459,13.07);(105.03459,13.07);(105.03459,13.07);(105.03459,13.07);(107.05024,100.0);(107.05024,100.0);(107.05024,100.0);(133.0295,12.7);(133.0295,12.7);(133.0295,12.7) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00837,36.93);(41.00329,91.12);(49.00837,19.6);(53.00329,100.0);(55.01894,25.33);(59.01385,43.89);(65.00329,70.59);(75.02402,19.29);(77.00329,97.8);(77.00329,97.8);(77.03967,35.53);(79.01894,56.68);(79.01894,56.68);(79.05532,23.13);(81.03459,26.95);(81.03459,26.95);(105.03459,65.01);(105.03459,65.01);(105.03459,65.01);(105.03459,65.01);(107.05024,85.56);(107.05024,85.56);(107.05024,85.56);(125.02442,20.3);(133.0295,32.21);(133.0295,32.21);(133.0295,32.21) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(135.04406,86.11);(135.04406,86.11);(135.04406,86.11);(135.04406,86.11);(135.04406,86.11);(135.04406,86.11);(153.05462,96.6);(153.05462,96.6);(153.05462,96.6);(153.05462,96.6) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (77.03858,6.44);(79.05423,27.76);(91.05423,4.96);(107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(107.04914,100.0);(135.04406,6.85);(135.04406,6.85);(135.04406,6.85);(135.04406,6.85);(135.04406,6.85);(135.04406,6.85);(153.05462,5.72);(153.05462,5.72);(153.05462,5.72);(153.05462,5.72) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.02293,29.14);(65.03858,20.6);(65.03858,20.6);(77.03858,100.0);(79.05423,87.31);(91.05423,31.5);(107.04914,57.69);(107.04914,57.69);(107.04914,57.69);(107.04914,57.69);(107.04914,57.69) |
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