| 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 | (82.0,0.009009009);(83.0,0.006006006);(84.0,0.005005005);(85.0,0.003003003);(86.0,0.006006006);(87.0,0.001001001);(88.0,0.001001001);(89.0,0.005005005);(90.0,0.005005005);(91.0,0.003003003);(92.0,0.006006006);(93.0,0.011011011);(94.0,0.011011011);(95.0,0.003003003);(96.0,0.001001001);(97.0,0.001001001);(100.0,0.034034034);(101.0,0.002002002);(102.0,0.004004004);(103.0,0.017017017);(104.0,0.3313313313);(105.0,0.1811811812);(106.0,0.049049049);(107.0,0.007007007);(108.0,0.005005005);(109.0,0.005005005);(110.0,0.003003003);(116.0,0.001001001);(118.0,0.004004004);(119.0,0.013013013);(120.0,0.01001001);(121.0,0.003003003);(122.0,0.025025025);(123.0,0.002002002);(124.0,0.001001001);(131.0,0.002002002);(132.0,0.002002002);(133.0,0.001001001);(134.0,0.007007007);(135.0,0.007007007);(136.0,0.4164164164);(137.0,0.037037037);(138.0,0.006006006);(147.0,0.004004004);(148.0,0.001001001);(149.0,0.004004004);(150.0,0.007007007);(151.0,0.005005005);(152.0,0.001001001);(161.0,0.004004004);(162.0,0.001001001);(163.0,0.011011011);(164.0,0.002002002);(165.0,0.005005005);(166.0,0.002002002);(175.0,0.011011011);(176.0,0.001001001);(177.0,0.002002002);(178.0,0.004004004);(179.0,1.0);(180.0,0.0900900901);(181.0,0.008008008);(192.0,0.001001001);(193.0,0.0640640641);(194.0,0.029029029);(195.0,0.002002002) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.011011011);(86.0,0.1301301301);(87.0,0.015015015);(88.0,0.007007007);(89.0,0.032032032);(90.0,0.012012012);(91.0,0.004004004);(92.0,0.008008008);(93.0,0.015015015);(94.0,0.016016016);(95.0,0.005005005);(96.0,0.009009009);(97.0,0.003003003);(98.0,0.005005005);(99.0,0.006006006);(100.0,0.1111111111);(101.0,0.014014014);(102.0,0.016016016);(103.0,0.013013013);(104.0,0.1401401401);(105.0,0.1791791792);(106.0,0.0530530531);(107.0,0.008008008);(108.0,0.006006006);(109.0,0.006006006);(110.0,0.004004004);(111.0,0.001001001);(112.0,0.008008008);(113.0,0.005005005);(114.0,0.007007007);(115.0,0.003003003);(116.0,0.008008008);(117.0,0.008008008);(118.0,0.002002002);(119.0,0.016016016);(120.0,0.014014014);(121.0,0.005005005);(122.0,0.02002002);(123.0,0.003003003);(124.0,0.001001001);(126.0,0.004004004);(127.0,0.002002002);(128.0,0.005005005);(129.0,0.004004004);(130.0,0.018018018);(131.0,0.007007007);(132.0,0.005005005);(133.0,0.003003003);(134.0,0.006006006);(135.0,0.006006006);(136.0,0.3743743744);(137.0,0.049049049);(138.0,0.018018018);(139.0,0.002002002);(140.0,0.001001001);(144.0,0.002002002);(145.0,0.001001001);(146.0,0.004004004);(147.0,0.001001001);(148.0,0.001001001);(149.0,0.006006006);(150.0,0.008008008);(151.0,0.007007007);(152.0,0.003003003);(153.0,0.001001001);(156.0,0.001001001);(158.0,0.002002002);(159.0,0.001001001);(160.0,0.001001001);(161.0,0.005005005);(162.0,0.001001001);(163.0,0.014014014);(164.0,0.003003003);(165.0,0.009009009);(166.0,0.003003003);(167.0,0.002002002);(169.0,0.037037037);(170.0,0.008008008);(171.0,0.001001001);(172.0,0.005005005);(174.0,0.2802802803);(175.0,0.0610610611);(176.0,0.026026026);(177.0,0.007007007);(178.0,0.004004004);(179.0,1.0);(180.0,0.1531531532);(181.0,0.045045045);(182.0,0.004004004);(183.0,0.001001001);(184.0,0.001001001);(185.0,0.001001001);(186.0,0.004004004);(187.0,0.001001001);(193.0,0.0740740741);(194.0,0.0510510511);(195.0,0.01001001);(196.0,0.002002002) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.031031031);(61.0,0.0720720721);(62.0,0.009009009);(63.0,0.009009009);(64.0,0.009009009);(65.0,0.01001001);(66.0,0.008008008);(67.0,0.01001001);(68.0,0.001001001);(69.0,0.002002002);(70.0,0.0520520521);(71.0,0.008008008);(72.0,0.0570570571);(73.0,0.1211211211);(74.0,0.0610610611);(75.0,1.0);(76.0,0.1581581582);(77.0,0.1651651652);(78.0,0.2652652653);(79.0,0.0640640641);(80.0,0.01001001);(81.0,0.003003003);(82.0,0.015015015);(83.0,0.009009009);(84.0,0.005005005);(85.0,0.004004004);(86.0,0.009009009);(87.0,0.001001001);(88.0,0.001001001);(89.0,0.004004004);(90.0,0.005005005);(91.0,0.002002002);(92.0,0.005005005);(93.0,0.01001001);(94.0,0.008008008);(95.0,0.002002002);(96.0,0.001001001);(100.0,0.026026026);(101.0,0.003003003);(102.0,0.003003003);(103.0,0.007007007);(104.0,0.0940940941);(105.0,0.1371371371);(106.0,0.03003003);(107.0,0.005005005);(108.0,0.004004004);(109.0,0.003003003);(110.0,0.003003003);(116.0,0.001001001);(118.0,0.001001001);(119.0,0.011011011);(120.0,0.007007007);(121.0,0.002002002);(122.0,0.006006006);(123.0,0.001001001);(131.0,0.001001001);(132.0,0.001001001);(133.0,0.001001001);(134.0,0.003003003);(135.0,0.003003003);(136.0,0.2092092092);(137.0,0.028028028);(138.0,0.009009009);(147.0,0.002002002);(148.0,0.001001001);(149.0,0.003003003);(150.0,0.004004004);(151.0,0.003003003);(152.0,0.001001001);(161.0,0.002002002);(162.0,0.001001001);(163.0,0.007007007);(164.0,0.002002002);(165.0,0.004004004);(166.0,0.001001001);(175.0,0.005005005);(176.0,0.001001001);(177.0,0.001001001);(178.0,0.002002002);(179.0,0.5075075075);(180.0,0.0750750751);(181.0,0.023023023);(182.0,0.002002002);(184.0,0.001001001);(193.0,0.035035035);(194.0,0.024024024);(195.0,0.005005005);(196.0,0.001001001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.046);(71.0,0.022);(72.0,0.093);(76.0,0.06);(77.0,0.121);(78.0,0.07);(79.0,0.027);(80.0,0.006);(83.0,0.008);(84.0,0.02);(85.0,0.01);(86.0,0.018);(87.0,0.031);(88.0,0.005);(89.0,0.008);(91.0,0.005);(92.0,0.008);(93.0,0.023);(94.0,0.006);(95.0,0.005);(96.0,0.003);(97.0,0.003);(99.0,0.003);(100.0,0.044);(101.0,0.016);(102.0,0.012);(103.0,0.042);(104.0,0.147);(105.0,0.057);(106.0,0.022);(107.0,0.006);(108.0,0.004);(110.0,0.007);(111.0,0.003);(113.0,0.01);(114.0,0.003);(115.0,0.018);(116.0,0.006);(117.0,0.048);(118.0,0.05);(119.0,0.028);(120.0,0.009);(121.0,0.003);(122.0,0.004);(128.0,0.003);(131.0,0.164);(132.0,0.03);(133.0,0.051);(134.0,0.014);(135.0,0.006);(136.0,0.054);(137.0,0.008);(138.0,0.003);(145.0,0.002);(150.0,0.15);(151.0,1.0);(152.0,0.132);(153.0,0.035);(154.0,0.004);(158.0,0.003);(161.0,0.008);(162.0,0.004);(163.0,0.032);(164.0,0.006);(165.0,0.006);(166.0,0.002);(167.0,0.002);(174.0,0.003);(175.0,0.064);(176.0,0.012);(177.0,0.092);(178.0,0.014);(179.0,0.033);(180.0,0.006);(188.0,0.003);(193.0,0.009);(194.0,0.003);(208.0,0.002);(221.0,0.005);(222.0,0.002);(223.0,0.004);(224.0,0.002);(235.0,0.025);(236.0,0.005);(237.0,0.027);(238.0,0.01);(239.0,0.004);(249.0,0.029);(250.0,0.007);(251.0,0.071);(252.0,0.017);(253.0,0.007);(263.0,0.002);(265.0,0.145);(266.0,0.051);(267.0,0.017);(268.0,0.003) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.065);(71.0,0.009);(72.0,0.073);(76.0,0.209);(77.0,0.211);(78.0,0.352);(79.0,0.064);(80.0,0.014);(81.0,0.006);(82.0,0.027);(83.0,0.013);(84.0,0.007);(85.0,0.006);(86.0,0.013);(87.0,0.002);(88.0,0.002);(89.0,0.007);(90.0,0.015);(91.0,0.003);(92.0,0.007);(93.0,0.014);(94.0,0.012);(95.0,0.004);(96.0,0.002);(100.0,0.041);(101.0,0.004);(102.0,0.004);(103.0,0.009);(104.0,0.122);(105.0,0.176);(106.0,0.041);(107.0,0.007);(108.0,0.006);(109.0,0.005);(110.0,0.004);(116.0,0.001);(118.0,0.002);(119.0,0.015);(120.0,0.012);(121.0,0.004);(122.0,0.009);(123.0,0.002);(131.0,0.002);(132.0,0.002);(134.0,0.005);(135.0,0.006);(136.0,0.395);(137.0,0.05);(138.0,0.015);(139.0,0.001);(150.0,0.008);(151.0,0.007);(152.0,0.002);(161.0,0.005);(163.0,0.014);(164.0,0.003);(165.0,0.007);(166.0,0.002);(175.0,0.009);(176.0,0.002);(177.0,0.002);(178.0,0.004);(179.0,1.0);(180.0,0.142);(181.0,0.041);(182.0,0.004);(193.0,0.076);(194.0,0.04);(195.0,0.008);(196.0,0.002) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (16.0,0.92);(17.0,0.67);(18.0,1.55);(26.0,2.17);(27.0,2.14);(28.0,5.07);(29.0,0.42);(37.0,1.77);(38.0,2.49);(39.0,3.03);(40.0,0.85);(41.0,0.89);(42.0,0.28);(43.0,0.9);(44.0,13.77);(45.0,0.43);(48.0,0.32);(49.0,3.63);(50.0,18.3);(51.0,32.02);(52.0,13.26);(53.0,3.58);(66.0,0.74);(67.0,0.73);(75.0,2.15);(76.0,3.07);(77.0,5.99);(78.0,60.46);(79.0,7.82);(80.0,0.44);(93.0,0.54);(94.0,3.16);(95.0,0.3);(104.0,0.53);(105.0,6.55);(106.0,60.91);(107.0,4.46);(108.0,0.28);(121.0,0.14);(122.0,99.99);(123.0,10.28);(124.0,0.68) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (44.0,11.88);(49.0,2.97);(50.0,17.02);(51.0,39.81);(52.0,16.8);(53.0,3.77);(75.0,2.15);(76.0,3.61);(77.0,10.48);(78.0,79.94);(79.0,9.07);(94.0,3.16);(104.0,7.86);(105.0,7.93);(106.0,66.13);(107.0,4.6);(122.0,99.99);(123.0,7.6) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.0,0.713032);(87.0,0.145517);(88.0,0.050931);(89.5,4.698481);(90.45,0.381768);(92.0,0.541836);(93.05,1.366574);(94.0,1.235181);(95.0,0.356516);(96.0,0.169484);(97.0,0.18104);(98.0,0.133961);(99.0,0.111278);(100.0,2.26407);(101.0,0.28119);(102.0,0.246095);(103.0,0.208431);(104.05,2.668949);(105.05,8.551252);(106.05,3.56559);(107.0,0.44939);(108.0,0.420715);(109.0,0.446822);(110.0,0.366788);(111.0,0.116841);(112.0,0.090734);(113.0,0.088166);(114.0,0.014124);(116.0,0.125829);(117.0,0.069334);(118.0,0.148085);(119.05,0.918468);(120.05,1.084528);(121.0,0.388615);(122.05,2.196448);(123.0,0.235823);(124.0,0.052215);(125.0,0.062059);(126.0,0.062059);(127.0,0.061203);(128.0,0.065911);(129.0,0.042799);(130.0,0.01284);(131.0,0.226835);(132.0,0.194736);(133.0,0.151509);(134.0,0.396319);(135.05,0.79649);(136.05,32.699765);(137.1,4.296597);(138.05,1.580569);(139.0,0.094158);(140.0,0.001284);(141.0,0.005992);(142.0,0.003424);(143.0,0.027819);(144.0,0.055211);(146.0,0.088166);(147.0,0.197732);(148.0,0.151081);(149.05,0.524288);(150.05,0.802482);(151.1,0.71988);(152.1,0.199444);(153.1,0.020116);(154.1,0.016692);(155.1,0.041943);(156.1,0.026535);(157.1,0.031671);(158.1,0.00214);(159.1,0.064199);(160.1,0.013268);(161.1,0.391183);(162.0,0.140809);(163.0,1.16713);(164.0,0.199444);(165.05,0.718596);(166.1,0.245667);(167.1,0.107854);(168.1,0.034667);(169.1,0.014124);(170.1,0.017976);(171.1,0.056495);(172.1,0.015408);(173.1,0.00428);(174.1,0.024823);(175.0,0.81789);(176.0,0.1789);(177.0,0.273058);(178.05,0.499465);(179.0,100.0);(180.0,14.211855);(181.0,4.052215);(182.0,0.403595);(183.0,0.062059);(184.0,0.026963);(185.0,0.058635);(186.0,0.001284);(187.0,0.00214);(188.0,0.001284);(189.0,0.008132);(190.0,0.029959);(192.0,0.034667);(193.0,7.025037);(193.95,3.947357);(195.0,0.725444);(196.0,0.136101);(197.0,0.040231);(198.0,0.002568);(200.0,0.01284);(201.0,0.005992);(202.0,0.027819);(203.0,0.023539);(204.0,0.005992);(205.0,0.056495);(206.0,0.003424);(207.0,0.057779);(208.0,0.024395);(209.0,0.026535);(210.0,0.038091);(211.0,0.053071);(213.0,0.036807);(215.0,0.041943);(216.0,0.024823);(217.0,0.00428);(218.0,0.014124);(219.0,0.081746);(220.0,0.035951);(223.0,0.002568);(224.0,0.010272);(225.0,0.014552);(226.0,0.018832);(228.0,0.012412);(229.0,0.035951);(230.0,0.014552);(231.0,0.00428);(232.0,0.033383);(233.0,0.040231);(234.0,0.002568);(235.0,0.011128);(236.0,0.030387);(237.0,0.012412);(238.0,0.035951);(240.0,0.0214);(241.0,0.008132);(242.0,0.008132);(243.0,0.014124);(245.0,0.025679);(246.0,0.019688);(247.0,0.011128);(248.0,0.026963);(249.0,0.008988);(251.0,0.075754);(252.0,0.01284);(253.0,0.10229);(255.0,0.032527);(256.0,0.017548);(257.0,0.008132);(258.0,0.034667);(259.0,0.022256);(260.0,0.011556);(261.0,0.022256);(262.0,0.006848);(263.0,0.006848);(264.0,0.050931);(265.0,0.038519);(266.0,0.023539);(267.0,0.053071);(268.0,0.015408);(269.0,0.040231);(270.0,0.050503);(271.0,0.025679);(272.0,0.013268);(274.0,0.023539);(276.0,0.005564);(277.0,0.019688);(278.0,0.037235);(279.0,0.000856);(280.0,0.012412);(281.0,0.040231);(282.0,0.045367);(283.0,0.026963);(284.0,0.012412);(286.0,0.030387);(287.0,0.013268);(288.0,0.020116);(291.0,0.040231);(293.0,0.024823);(294.0,0.017548);(295.0,0.007704);(296.0,0.000856);(297.0,0.007704);(298.0,0.019688);(299.0,0.0214);(301.0,0.039375);(302.0,0.033811);(303.0,0.004708);(304.0,0.059063);(305.0,0.017548);(306.0,0.016264);(307.0,0.064627);(308.0,0.005992);(309.0,0.049647);(310.0,0.031671);(311.0,0.047507);(312.0,0.036807);(313.0,0.044939);(314.0,0.020972);(315.0,0.014552);(316.0,0.047079);(317.0,0.016264);(318.0,0.048791);(319.0,0.015408);(320.0,0.029959);(321.0,0.002568);(322.0,0.031243);(325.0,0.024823);(326.0,0.038519);(327.0,0.053071);(328.0,0.023111);(329.0,0.029103);(330.0,0.010272);(331.0,0.031243);(332.0,0.003424);(333.0,0.024823);(338.0,0.016692);(339.0,0.016692);(340.0,0.002568);(341.0,0.040231);(343.0,0.00214);(344.0,0.0214);(345.0,0.037235);(346.0,0.075754);(347.0,0.029103);(348.0,0.037235);(349.0,0.014124);(351.0,0.044083);(352.0,0.018832);(353.0,0.022256);(355.0,0.008988);(356.0,0.019688);(358.0,0.026963);(359.0,0.014552);(360.0,0.029959);(361.0,0.031243);(362.0,0.045367);(363.0,0.016264);(365.0,0.014552);(366.0,0.023539);(367.0,0.00214);(368.0,0.034667);(369.0,0.029959);(370.0,0.016264);(371.0,0.047507);(372.0,0.014124);(373.0,0.047079);(375.0,0.010272);(376.0,0.017976);(377.0,0.012412);(378.0,0.026963);(379.0,0.005564);(380.0,0.045367);(381.0,0.028247);(382.0,0.005992);(384.0,0.031671);(385.0,0.023111);(386.0,0.00428);(387.0,0.024395);(388.0,0.016692);(389.0,0.047507);(390.0,0.040231);(391.0,0.022256);(392.0,0.013268);(393.0,0.017548);(394.0,0.001284);(395.0,0.041943);(396.0,0.003424);(397.0,0.004708);(400.0,0.005992);(402.0,0.040231);(403.0,0.026963);(404.0,0.039375);(405.0,0.016692);(406.0,0.005564);(407.0,0.040659);(408.0,0.033383);(409.0,0.022256);(410.0,0.035095);(411.0,0.048791);(412.0,0.017548);(413.0,0.029959);(414.0,0.042799);(415.0,0.063343);(416.0,0.041515);(417.0,0.0214);(418.0,0.002568);(419.0,0.005992);(420.0,0.029103);(421.0,0.001284);(422.0,0.014552);(423.0,0.002568);(424.0,0.006848);(425.0,0.056495);(426.0,0.024823);(429.0,0.024823);(430.0,0.011128);(431.0,0.018832);(432.0,0.01284);(434.0,0.024395);(435.0,0.01284);(436.0,0.009416);(437.0,0.020972);(438.0,0.010272);(442.0,0.024823);(443.0,0.006848);(444.0,0.046223);(445.0,0.029959);(446.0,0.012412);(447.0,0.032527);(448.0,0.001284);(449.0,0.020116);(450.0,0.001284);(451.0,0.038091);(452.0,0.035095);(455.0,0.008988);(456.0,0.017976);(457.0,0.027819);(458.0,0.013268);(459.0,0.029103);(460.0,0.000856);(462.0,0.023111);(463.0,0.023111);(464.0,0.016692);(465.0,0.017548);(466.0,0.00214);(467.0,0.017976);(468.0,0.0214);(469.0,0.035095);(470.0,0.047507);(471.0,0.018832);(472.0,0.025679);(473.0,0.065911);(474.0,0.031243);(475.0,0.016692);(476.0,0.016264);(477.0,0.024823);(478.0,0.008132);(479.0,0.00428);(480.0,0.0214);(482.0,0.015408);(483.0,0.024395);(484.0,0.034667);(485.0,0.017976);(486.0,0.009416);(487.0,0.033383);(488.0,0.023539);(489.0,0.004708);(490.0,0.033811);(492.0,0.011556);(495.0,0.023111);(496.0,0.017976);(497.0,0.012412);(498.0,0.044083);(499.0,0.013268) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,0.900901);(83.0,0.600601);(84.0,0.500501);(85.0,0.3003);(86.0,0.600601);(87.0,0.1001);(88.0,0.1001);(89.0,0.500501);(90.0,0.500501);(91.0,0.3003);(92.0,0.600601);(93.0,1.101101);(94.0,1.101101);(95.0,0.3003);(96.0,0.1001);(97.0,0.1001);(100.0,3.403403);(101.0,0.2002);(102.0,0.4004);(103.0,1.701702);(104.0,33.133133);(105.0,18.118118);(106.0,4.904905);(107.0,0.700701);(108.0,0.500501);(109.0,0.500501);(110.0,0.3003);(116.0,0.1001);(118.0,0.4004);(119.0,1.301301);(120.0,1.001001);(121.0,0.3003);(122.0,2.502503);(123.0,0.2002);(124.0,0.1001);(131.0,0.2002);(132.0,0.2002);(133.0,0.1001);(134.0,0.700701);(135.0,0.700701);(136.0,41.641642);(137.0,3.703704);(138.0,0.600601);(147.0,0.4004);(148.0,0.1001);(149.0,0.4004);(150.0,0.700701);(151.0,0.500501);(152.0,0.1001);(161.0,0.4004);(162.0,0.1001);(163.0,1.101101);(164.0,0.2002);(165.0,0.500501);(166.0,0.2002);(175.0,1.101101);(176.0,0.1001);(177.0,0.2002);(178.0,0.4004);(179.0,100.0);(180.0,9.009009);(181.0,0.800801);(192.0,0.1001);(193.0,6.406406);(194.0,2.902903);(195.0,0.2002) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,1.101101);(86.0,13.013013);(87.0,1.501502);(88.0,0.700701);(89.0,3.203203);(90.0,1.201201);(91.0,0.4004);(92.0,0.800801);(93.0,1.501502);(94.0,1.601602);(95.0,0.500501);(96.0,0.900901);(97.0,0.3003);(98.0,0.500501);(99.0,0.600601);(100.0,11.111111);(101.0,1.401401);(102.0,1.601602);(103.0,1.301301);(104.0,14.014014);(105.0,17.917918);(106.0,5.305305);(107.0,0.800801);(108.0,0.600601);(109.0,0.600601);(110.0,0.4004);(111.0,0.1001);(112.0,0.800801);(113.0,0.500501);(114.0,0.700701);(115.0,0.3003);(116.0,0.800801);(117.0,0.800801);(118.0,0.2002);(119.0,1.601602);(120.0,1.401401);(121.0,0.500501);(122.0,2.002002);(123.0,0.3003);(124.0,0.1001);(126.0,0.4004);(127.0,0.2002);(128.0,0.500501);(129.0,0.4004);(130.0,1.801802);(131.0,0.700701);(132.0,0.500501);(133.0,0.3003);(134.0,0.600601);(135.0,0.600601);(136.0,37.437437);(137.0,4.904905);(138.0,1.801802);(139.0,0.2002);(140.0,0.1001);(144.0,0.2002);(145.0,0.1001);(146.0,0.4004);(147.0,0.1001);(148.0,0.1001);(149.0,0.600601);(150.0,0.800801);(151.0,0.700701);(152.0,0.3003);(153.0,0.1001);(156.0,0.1001);(158.0,0.2002);(159.0,0.1001);(160.0,0.1001);(161.0,0.500501);(162.0,0.1001);(163.0,1.401401);(164.0,0.3003);(165.0,0.900901);(166.0,0.3003);(167.0,0.2002);(169.0,3.703704);(170.0,0.800801);(171.0,0.1001);(172.0,0.500501);(174.0,28.028028);(175.0,6.106106);(176.0,2.602603);(177.0,0.700701);(178.0,0.4004);(179.0,100.0);(180.0,15.315315);(181.0,4.504505);(182.0,0.4004);(183.0,0.1001);(184.0,0.1001);(185.0,0.1001);(186.0,0.4004);(187.0,0.1001);(193.0,7.407407);(194.0,5.105105);(195.0,1.001001);(196.0,0.2002) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,3.103103);(61.0,7.207207);(62.0,0.900901);(63.0,0.900901);(64.0,0.900901);(65.0,1.001001);(66.0,0.800801);(67.0,1.001001);(68.0,0.1001);(69.0,0.2002);(70.0,5.205205);(71.0,0.800801);(72.0,5.705706);(73.0,12.112112);(74.0,6.106106);(75.0,100.0);(76.0,15.815816);(77.0,16.516517);(78.0,26.526527);(79.0,6.406406);(80.0,1.001001);(81.0,0.3003);(82.0,1.501502);(83.0,0.900901);(84.0,0.500501);(85.0,0.4004);(86.0,0.900901);(87.0,0.1001);(88.0,0.1001);(89.0,0.4004);(90.0,0.500501);(91.0,0.2002);(92.0,0.500501);(93.0,1.001001);(94.0,0.800801);(95.0,0.2002);(96.0,0.1001);(100.0,2.602603);(101.0,0.3003);(102.0,0.3003);(103.0,0.700701);(104.0,9.409409);(105.0,13.713714);(106.0,3.003003);(107.0,0.500501);(108.0,0.4004);(109.0,0.3003);(110.0,0.3003);(116.0,0.1001);(118.0,0.1001);(119.0,1.101101);(120.0,0.700701);(121.0,0.2002);(122.0,0.600601);(123.0,0.1001);(131.0,0.1001);(132.0,0.1001);(133.0,0.1001);(134.0,0.3003);(135.0,0.3003);(136.0,20.920921);(137.0,2.802803);(138.0,0.900901);(147.0,0.2002);(148.0,0.1001);(149.0,0.3003);(150.0,0.4004);(151.0,0.3003);(152.0,0.1001);(161.0,0.2002);(162.0,0.1001);(163.0,0.700701);(164.0,0.2002);(165.0,0.4004);(166.0,0.1001);(175.0,0.500501);(176.0,0.1001);(177.0,0.1001);(178.0,0.2002);(179.0,50.750751);(180.0,7.507508);(181.0,2.302302);(182.0,0.2002);(184.0,0.1001);(193.0,3.503504);(194.0,2.402402);(195.0,0.500501);(196.0,0.1001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.046);(71.0,0.022);(72.0,0.093);(76.0,0.06);(77.0,0.121);(78.0,0.07);(79.0,0.027);(80.0,0.006);(83.0,0.008);(84.0,0.02);(85.0,0.01);(86.0,0.018);(87.0,0.031);(88.0,0.005);(89.0,0.008);(91.0,0.005);(92.0,0.008);(93.0,0.023);(94.0,0.006);(95.0,0.005);(96.0,0.003);(97.0,0.003);(99.0,0.003);(100.0,0.044);(101.0,0.016);(102.0,0.012);(103.0,0.042);(104.0,0.147);(105.0,0.057);(106.0,0.022);(107.0,0.006);(108.0,0.004);(110.0,0.007);(111.0,0.003);(113.0,0.01);(114.0,0.003);(115.0,0.018);(116.0,0.006);(117.0,0.048);(118.0,0.05);(119.0,0.028);(120.0,0.009);(121.0,0.003);(122.0,0.004);(128.0,0.003);(131.0,0.164);(132.0,0.03);(133.0,0.051);(134.0,0.014);(135.0,0.006);(136.0,0.054);(137.0,0.008);(138.0,0.003);(145.0,0.002);(150.0,0.15);(151.0,1.0);(152.0,0.132);(153.0,0.035);(154.0,0.004);(158.0,0.003);(161.0,0.008);(162.0,0.004);(163.0,0.032);(164.0,0.006);(165.0,0.006);(166.0,0.002);(167.0,0.002);(174.0,0.003);(175.0,0.064);(176.0,0.012);(177.0,0.092);(178.0,0.014);(179.0,0.033);(180.0,0.006);(188.0,0.003);(193.0,0.009);(194.0,0.003);(208.0,0.002);(221.0,0.005);(222.0,0.002);(223.0,0.004);(224.0,0.002);(235.0,0.025);(236.0,0.005);(237.0,0.027);(238.0,0.01);(239.0,0.004);(249.0,0.029);(250.0,0.007);(251.0,0.071);(252.0,0.017);(253.0,0.007);(263.0,0.002);(265.0,0.145);(266.0,0.051);(267.0,0.017);(268.0,0.003) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.065);(71.0,0.009);(72.0,0.073);(76.0,0.209);(77.0,0.211);(78.0,0.352);(79.0,0.064);(80.0,0.014);(81.0,0.006);(82.0,0.027);(83.0,0.013);(84.0,0.007);(85.0,0.006);(86.0,0.013);(87.0,0.002);(88.0,0.002);(89.0,0.007);(90.0,0.015);(91.0,0.003);(92.0,0.007);(93.0,0.014);(94.0,0.012);(95.0,0.004);(96.0,0.002);(100.0,0.041);(101.0,0.004);(102.0,0.004);(103.0,0.009);(104.0,0.122);(105.0,0.176);(106.0,0.041);(107.0,0.007);(108.0,0.006);(109.0,0.005);(110.0,0.004);(116.0,0.001);(118.0,0.002);(119.0,0.015);(120.0,0.012);(121.0,0.004);(122.0,0.009);(123.0,0.002);(131.0,0.002);(132.0,0.002);(134.0,0.005);(135.0,0.006);(136.0,0.395);(137.0,0.05);(138.0,0.015);(139.0,0.001);(150.0,0.008);(151.0,0.007);(152.0,0.002);(161.0,0.005);(163.0,0.014);(164.0,0.003);(165.0,0.007);(166.0,0.002);(175.0,0.009);(176.0,0.002);(177.0,0.002);(178.0,0.004);(179.0,1.0);(180.0,0.142);(181.0,0.041);(182.0,0.004);(193.0,0.076);(194.0,0.04);(195.0,0.008);(196.0,0.002) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.700701);(86.0,1.601602);(87.0,0.2002);(88.0,0.1001);(89.0,0.700701);(90.0,0.900901);(91.0,0.4004);(92.0,0.900901);(93.0,1.701702);(94.0,1.501502);(95.0,0.4004);(96.0,0.2002);(97.0,0.1001);(99.0,0.1001);(100.0,4.904905);(101.0,0.4004);(102.0,0.4004);(103.0,1.201201);(104.0,17.317317);(105.0,21.721722);(106.0,5.105105);(107.0,0.800801);(108.0,0.600601);(109.0,0.600601);(110.0,0.4004);(111.0,0.1001);(116.0,0.1001);(118.0,0.2002);(119.0,1.601602);(120.0,1.301301);(121.0,0.4004);(122.0,1.101101);(123.0,0.2002);(124.0,0.1001);(131.0,0.1001);(132.0,0.2002);(134.0,0.500501);(135.0,0.500501);(136.0,39.63964);(137.0,5.205205);(138.0,1.601602);(139.0,0.1001);(147.0,0.1001);(148.0,0.1001);(149.0,0.600601);(150.0,0.800801);(151.0,0.700701);(152.0,0.1001);(161.0,0.4004);(162.0,0.1001);(163.0,1.401401);(164.0,0.2002);(165.0,0.600601);(166.0,0.2002);(175.0,0.900901);(176.0,0.1001);(177.0,0.2002);(178.0,0.3003);(179.0,100.0);(180.0,13.813814);(181.0,4.104104);(182.0,0.3003);(193.0,7.407407);(194.0,3.503504);(195.0,0.700701);(196.0,0.1001) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.011179784);(26.00252462,1.507707111);(28.01817382,1.033129348);(39.02292522,3.62812236);(43.00526332,1.647884117);(44.01308792,4.527068694);(50.00252462,1.320521462);(51.01034922,2.080153692);(52.01817382,2.120963888);(53.02599842,1.729443398);(54.03382302,2.23298105);(67.00526332,0.9567114981);(69.02091252,1.159084344);(79.01783932,1.065109249);(79.04164762,6.978408203);(80.04947222,3.116924072);(81.02091252,1.563633206);(93.02091252,1.62380103);(94.01616112,1.770875228);(94.02873712,1.408113553);(95.03656172,3.796315895);(96.03181032,1.37560619);(96.04438632,1.386104482);(104.0368962,5.808420365);(105.0209125,2.580440762);(105.0447208,4.912297422);(106.0161611,2.165580982);(106.0287371,6.56303828);(107.0239857,2.301596911);(122.0474595,24.75273704);(123.0502408,1.876046383) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (25.00727602,0.9917776098);(26.00252462,1.960297422);(26.01510062,1.025238283);(27.01034922,1.030875864);(28.01817382,1.962918361);(39.02292522,5.243408519);(44.01308792,2.20273439);(50.00252462,1.491288917);(51.01034922,1.822709519);(52.01817382,2.694112856);(53.02599842,1.691155511);(54.03382302,1.236500975);(79.04164762,4.515923967);(80.04947222,1.319840226);(93.02091252,1.44316293);(94.01616112,1.325998058);(94.02873712,1.209589206);(95.03656172,2.480580299);(96.03181032,1.01659526);(96.04438632,1.241240171);(104.0368962,4.177545054);(105.0209125,3.173799188);(105.0447208,2.865281592);(106.0161611,1.44066611);(106.0287371,8.298578318);(107.0239857,1.588277067);(122.0474595,19.26785586);(123.0502408,1.460339164) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (25.00727602,0.9917776098);(26.00252462,1.960297422);(26.01510062,1.025238283);(27.01034922,1.030875864);(28.01817382,1.962918361);(39.02292522,5.243408519);(44.01308792,2.20273439);(50.00252462,1.491288917);(51.01034922,1.822709519);(52.01817382,2.694112856);(53.02599842,1.691155511);(54.03382302,1.236500975);(79.04164762,4.515923967);(80.04947222,1.319840226);(93.02091252,1.44316293);(94.01616112,1.325998058);(94.02873712,1.209589206);(95.03656172,2.480580299);(96.03181032,1.01659526);(96.04438632,1.241240171);(104.0368962,4.177545054);(105.0209125,3.173799188);(105.0447208,2.865281592);(106.0161611,1.44066611);(106.0287371,8.298578318);(107.0239857,1.588277067);(122.0474595,19.26785586);(123.0502408,1.460339164) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (78.097,3.382);(80.096,20.294);(96.003,2.623);(105.97,2.696);(122.957,100.0) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (53.217,30.435);(78.09,38.509);(80.072,100.0);(122.863,11.957) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (53.217,30.435);(78.09,38.509);(80.072,100.0);(122.863,11.957) | | LC-MS/MS | EI-B (HITACHI M-80) | Positive | Not Available | View Spectrum | (16.0,0.009009009);(17.0,0.007007007);(18.0,0.016016016);(26.0,0.022022022);(27.0,0.021021021);(28.0,0.0510510511);(29.0,0.004004004);(37.0,0.018018018);(38.0,0.025025025);(39.0,0.03003003);(40.0,0.009009009);(41.0,0.009009009);(42.0,0.003003003);(43.0,0.009009009);(44.0,0.1381381381);(45.0,0.004004004);(48.0,0.003003003);(49.0,0.036036036);(50.0,0.1831831832);(51.0,0.3203203203);(52.0,0.1331331331);(53.0,0.036036036);(66.0,0.007007007);(67.0,0.007007007);(75.0,0.022022022);(76.0,0.031031031);(77.0,0.0600600601);(78.0,0.6056056056);(79.0,0.0780780781);(80.0,0.004004004);(93.0,0.005005005);(94.0,0.032032032);(95.0,0.003003003);(104.0,0.005005005);(105.0,0.0660660661);(106.0,0.6096096096);(107.0,0.045045045);(108.0,0.003003003);(121.0,0.001001001);(122.0,1.0);(123.0,0.1031031031);(124.0,0.007007007) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (39.2,0.001001001);(40.9,0.001001001);(55.1,0.003003003);(59.1,0.001001001);(61.2,0.001001001);(63.3,0.001001001);(69.3,0.001001001);(72.9,0.001001001);(74.1,0.001001001);(77.3,0.001001001);(79.2,0.001001001);(79.9,0.002002002);(88.0,0.001001001);(91.1,0.001001001);(92.6,0.001001001);(95.9,0.001001001);(104.9,0.006006006);(105.9,0.003003003);(123.1,1.0);(140.9,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.5,0.001001001);(53.1,0.001001001);(54.9,0.001001001);(67.1,0.001001001);(67.9,0.001001001);(73.4,0.001001001);(74.0,0.001001001);(77.9,0.04004004);(80.0,0.2662662663);(95.0,0.002002002);(96.0,0.0510510511);(105.1,0.002002002);(106.1,0.042042042);(121.3,0.001001001);(123.1,1.0);(124.2,0.006006006) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (40.7,0.001001001);(44.0,0.001001001);(51.3,0.001001001);(53.2,0.026026026);(54.1,0.001001001);(56.5,0.001001001);(68.0,0.008008008);(69.9,0.001001001);(74.2,0.001001001);(77.9,0.2832832833);(79.0,0.005005005);(80.2,1.0);(82.9,0.001001001);(95.1,0.005005005);(96.0,0.0790790791);(105.2,0.009009009);(106.0,0.027027027);(122.1,0.001001001);(123.1,0.1611611612);(124.1,0.004004004) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.4,0.003003003);(44.0,0.004004004);(50.9,0.017017017);(52.1,0.008008008);(53.2,0.1921921922);(54.0,0.003003003);(61.8,0.001001001);(68.3,0.007007007);(69.9,0.001001001);(77.4,0.005005005);(78.0,0.4974974975);(79.3,0.0510510511);(80.0,1.0);(96.2,0.047047047);(103.4,0.001001001);(104.9,0.006006006);(106.3,0.007007007);(107.0,0.001001001);(123.1,0.016016016) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (26.8,0.006006006);(44.1,0.019019019);(50.2,0.008008008);(51.0,0.1371371371);(51.9,0.1331331331);(53.1,0.6326326326);(67.9,0.018018018);(78.1,1.0);(79.2,0.1401401401);(80.0,1.0);(96.2,0.039039039);(123.0,0.005005005) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (78.0355,0.0870870871);(80.0508,0.3693693694);(96.0458,0.0530530531);(123.0558,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (78.0331,0.3953953954);(79.0411,0.0700700701);(80.0494,1.0);(96.046,0.1061061061);(123.0558,0.2532532533) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (78.0356,0.0840840841);(80.0513,0.3713713714);(96.0468,0.0550550551);(123.0558,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (78.0342,0.3653653654);(79.0417,0.0530530531);(80.0498,1.0);(96.0446,0.1091091091);(123.0558,0.2622622623) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.2,0.009037);(40.9,0.025305);(55.1,0.265698);(59.1,0.027112);(61.2,0.028919);(63.3,0.025305);(69.3,0.012652);(72.9,0.124715);(74.1,0.075914);(77.3,0.010845);(79.2,0.065069);(79.9,0.180747);(88.0,0.027112);(91.1,0.036149);(92.6,0.005422);(95.9,0.059646);(104.9,0.583812);(105.9,0.283773);(123.1,100.0);(140.9,0.023497) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.5,0.026176);(53.1,0.034901);(54.9,0.026176);(67.1,0.01745);(67.9,0.052351);(73.4,0.030538);(74.0,0.104703);(77.9,4.048512);(80.0,26.668703);(95.0,0.248669);(96.0,5.108629);(105.1,0.218131);(106.1,4.223017);(121.3,0.065439);(123.1,100.0);(124.2,0.567141) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (40.7,0.043943);(44.0,0.13183);(51.3,0.065915);(53.2,2.585323);(54.1,0.065915);(56.5,0.029295);(68.0,0.761682);(69.9,0.080562);(74.2,0.080562);(77.9,28.343343);(79.0,0.541966);(80.2,100.0);(82.9,0.021972);(95.1,0.54929);(96.0,7.924418);(105.2,0.908159);(106.0,2.739124);(122.1,0.029295);(123.1,16.163762);(124.1,0.439432) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.4,0.322703);(44.0,0.417616);(50.9,1.727411);(52.1,0.778284);(53.2,19.248292);(54.0,0.341686);(61.8,0.056948);(68.3,0.721336);(69.9,0.132878);(77.4,0.493546);(78.0,49.734244);(79.3,5.068337);(80.0,100.0);(96.2,4.688686);(103.4,0.094913);(104.9,0.588459);(106.3,0.740319);(107.0,0.07593);(123.1,1.613516) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (26.8,0.632911);(44.1,1.898734);(50.2,0.759494);(51.0,13.670886);(51.9,13.291139);(53.1,63.291139);(67.9,1.772152);(78.1,100.0);(79.2,14.050633);(80.0,100.0);(96.2,3.924051);(123.0,0.506329) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (78.0341,1.202561);(80.0498,7.245982);(96.0447,1.769405);(106.0291,1.024543);(123.0556,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (78.0355,8.679684);(80.0508,36.917713);(96.0458,5.25802);(123.0558,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (78.0331,39.495478);(79.0411,6.996668);(80.0494,100.0);(96.046,10.647311);(123.0558,25.359353) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (78.0356,8.38256);(80.0513,37.149555);(96.0468,5.499297);(123.0558,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (78.0342,36.505969);(79.0417,5.270891);(80.0498,100.0);(96.0446,10.867769);(123.0558,26.179982) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (53.039364,0.067785);(58.15921,0.039592);(67.224236,0.030288);(72.623558,0.100462);(78.034454,0.179628);(79.042068,0.083229);(80.050072,4.322188);(85.537956,0.033059);(87.220741,0.032841);(89.475998,0.033573);(92.570869,0.040277);(95.060829,0.030516);(96.041641,0.043669);(96.0448,1.331598);(96.369301,0.032833);(96.711266,0.036212);(104.375084,0.033217);(106.029121,0.464686);(117.192741,0.034192);(123.00943,0.120829);(123.055458,100.0);(123.099411,0.119577);(124.039398,0.488885);(124.052452,0.12843);(124.058693,0.878213);(124.737495,0.032098);(125.815529,0.032616);(132.681931,0.032742) | | LC-MS/MS | ESI-QFT | negative | low | View Spectrum | (61.987,33.02486987);(93.0333,1.052631579);(121.0283,57.83689994);(122.0237,1.573163678);(122.0316,5.349913245);(122.9057,1.162521689) | | LC-MS/MS | ESI-QFT | negative | low | View Spectrum | (61.987,41.17583486);(121.0283,54.03652869);(122.0235,0.6484383443);(122.0316,4.139198098) | | LC-MS/MS | ESI-QFT | negative | low | View Spectrum | (61.987,65.54798112);(79.956,0.7996853697);(93.0331,0.9635553225);(121.0283,31.68589407);(122.0316,1.002884111) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.03378,3.3);(80.04994,19.7);(96.04482,2.2);(106.02905,2.6);(123.05585,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.03882,9.9);(78.03388,22.8);(80.04985,100.0);(96.04436,3.4);(106.02902,3.9);(123.0558,27.7) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0333,46.1);(80.0489,100.0);(96.0442,16.14) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.0386,8.69);(68.0494,1.38);(78.0338,4.44);(80.0494,100.0);(96.0444,32.48);(106.0287,1.77);(123.0553,20.38) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (80.05007,4.32);(96.0448,1.33);(123.05546,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (80.0494,10.72);(96.0444,2.96);(123.0552,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (80.0494,16.5);(96.0444,4.56);(106.0287,1.3);(123.0552,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (80.0495,10.64);(96.0444,3.11);(123.0553,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.0385,1.0);(78.0338,1.69);(80.0494,61.76);(96.0443,18.28);(106.0287,3.49);(123.0552,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.0386,3.68);(68.0494,1.1);(78.0338,3.55);(80.0494,100.0);(96.0443,29.83);(106.0287,3.1);(123.0552,52.13) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0341,1.2);(80.0498,7.25);(96.0447,1.77);(106.0291,1.02);(123.0556,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03247,1.22);(51.02116,1.54);(53.0406,26.97);(78.03577,33.2);(80.04826,88.66);(96.04177,13.1);(106.02885,7.42);(123.05541,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0342,2.21);(80.0489,15.93);(96.0442,1.45);(106.0294,1.62);(123.0563,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0342,36.51);(79.0417,5.27);(80.0498,100.0);(96.0446,10.87);(123.0558,26.18) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (32.73883,4.0);(41.00188,100.0);(55.92518,9.1);(67.01791,11.0);(92.02568,19.6) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.06068,2.1);(41.99769,100.0);(44.0068,4.0);(48.74137,11.3);(54.74097,5.7);(63.68039,1.5);(69.42806,2.4);(73.90677,1.2);(77.04403,29.9);(78.49357,4.6);(92.02593,17.8);(93.03397,20.8);(109.69834,6.2);(120.0169,16.3);(121.0283,53.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0331,39.5);(79.0411,7.0);(80.0494,100.0);(96.046,10.65);(123.0558,25.36) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (51.0216,1.15);(53.0378,12.71);(78.0334,28.98);(79.0409,1.09);(80.0496,100.0);(96.0441,6.44);(106.0289,4.03);(123.0552,51.12) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (44.01291,2.8);(51.02305,20.2);(52.01812,14.7);(53.03881,100.0);(55.93393,1.6);(78.03412,39.9);(79.041,3.8);(80.04989,50.3) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99753,100.0);(70.42545,18.0);(77.0377,9.7);(78.03592,5.5);(95.79289,12.9);(117.97698,1.2);(121.03039,58.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0331,39.54);(79.0411,7.01);(80.0494,100.0);(96.046,10.61);(123.0558,25.33) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.0379,1.02);(44.0121,2.36);(50.0144,1.08);(51.0219,23.35);(52.0173,16.42);(53.0379,100.0);(54.033,1.53);(78.0331,40.22);(79.0418,5.79);(80.049,49.87) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (78.0332,16.74);(80.0488,100.0);(96.0441,9.69);(106.0289,1.89);(123.0554,21.08) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (80.0489,6.31);(123.0553,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.0016408489);(28.01872406,0.0007897526);(44.01363868,0.0382345533);(51.0234751,0.0504728415);(52.01872406,0.0576492771);(53.03912516,0.0111726757);(54.03437413,0.0617824582);(55.01838972,0.001117203);(70.02928875,0.0077727131);(72.04493881,0.0128884628);(76.01872406,0.003278658);(78.03437413,0.0193555544);(79.01838972,0.0265406585);(79.0296231,0.0008548779);(80.05002419,1.075051284);(94.02928875,0.0825272976);(96.04493881,1.447236454);(97.04018778,0.0751482127);(105.0452732,2.610567978);(123.0558378,94.41591824) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.0203798868);(28.01872406,0.0144032574);(44.01363868,0.2090166849);(51.0234751,1.85630326);(52.01872406,0.6126037415);(53.03912516,1.239737261);(54.03437413,1.203283042);(55.01838972,0.0095375723);(70.02928875,0.2975284932);(72.04493881,0.0358293748);(76.01872406,0.3315391433);(78.03437413,0.5527629334);(79.01838972,2.06526187);(79.0296231,0.0194014258);(80.05002419,41.34144779);(94.02928875,1.363528136);(96.04493881,5.514857136);(97.04018778,0.2923000821);(105.0452732,7.285221509);(123.0558378,35.7350574) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,0.6580299788);(28.01872406,0.7142448968);(44.01363868,1.704787219);(51.0234751,13.28028556);(52.01872406,6.026962051);(53.03912516,6.670173944);(54.03437413,10.85209608);(55.01838972,0.1850056312);(70.02928875,0.7095626535);(72.04493881,0.6572871784);(76.01872406,0.6379927263);(78.03437413,6.075574233);(79.01838972,0.4308879064);(79.0296231,0.518336438);(80.05002419,21.27435004);(94.02928875,0.6912912873);(96.04493881,5.620401955);(97.04018778,0.7273425461);(105.0452732,14.1488065);(123.0558378,8.416581169) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (25.00782503,0.0001538821);(26.003074,0.0018722834);(41.99798862,3.374140544);(44.01363868,0.0013966207);(49.00782503,0.0035401252);(50.003074,0.0057300868);(51.0234751,0.0110917314);(52.01872406,0.0901391655);(68.01363868,0.2313339342);(70.02928875,0.0165060377);(77.00273965,0.0093142784);(78.03437413,11.67189132);(92.01363868,0.0605147294);(94.02928875,0.3714222722);(95.02453772,0.0968492605);(103.0296231,1.127065998);(121.0401878,82.92703773) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (25.00782503,0.0052783692);(26.003074,0.0029881931);(41.99798862,16.8933781);(44.01363868,0.0061511492);(49.00782503,0.0359439214);(50.003074,0.1232893745);(51.0234751,0.0743310113);(52.01872406,0.2224596358);(68.01363868,0.1278084411);(70.02928875,0.0208378231);(77.00273965,0.0114557161);(78.03437413,32.35913808);(92.01363868,0.0431380943);(94.02928875,0.4376454037);(95.02453772,0.4546305758);(103.0296231,1.624428885);(121.0401878,47.55709722) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00782503,0.3274560939);(26.003074,0.2008729341);(41.99798862,59.67092694);(44.01363868,0.5233870722);(49.00782503,1.180798179);(50.003074,1.479011937);(51.0234751,2.921002686);(52.01872406,3.676144137);(68.01363868,0.4488023124);(70.02928875,0.5286909055);(77.00273965,0.0811226993);(78.03437413,26.12454228);(92.01363868,0.0576557634);(94.02928875,0.5020416279);(95.02453772,0.4159950021);(103.0296231,0.8710226328);(121.0401878,0.9905267994) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (78.03492,84.94);(78.03492,84.94);(78.03492,84.94);(78.03492,84.94);(121.04074,100.0);(121.04074,100.0);(121.04074,100.0);(121.04074,100.0);(121.04074,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.99854,14.04);(78.03492,100.0);(78.03492,100.0);(78.03492,100.0);(78.03492,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.99854,100.0);(78.03492,62.23);(78.03492,62.23);(78.03492,62.23);(78.03492,62.23) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (80.04948,33.06);(80.04948,33.06);(80.04948,33.06);(80.04948,33.06);(106.02874,26.09);(106.02874,26.09);(106.02874,26.09);(106.02874,26.09);(106.02874,26.09);(123.05529,100.0);(123.05529,100.0);(123.05529,100.0);(123.05529,100.0);(123.05529,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (44.01309,31.82);(78.03383,86.28);(78.03383,86.28);(78.03383,86.28);(78.03383,86.28);(80.04948,100.0);(80.04948,100.0);(80.04948,100.0);(80.04948,100.0);(106.02874,62.87);(106.02874,62.87);(106.02874,62.87);(106.02874,62.87);(106.02874,62.87);(123.05529,49.07);(123.05529,49.07);(123.05529,49.07);(123.05529,49.07);(123.05529,49.07) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,12.79);(44.01309,21.79);(51.02293,39.31);(53.03858,30.85);(78.03383,100.0);(78.03383,100.0);(78.03383,100.0);(78.03383,100.0);(79.01784,37.24);(79.01784,37.24);(80.04948,30.38);(80.04948,30.38);(80.04948,30.38);(80.04948,30.38);(106.02874,17.78);(106.02874,17.78);(106.02874,17.78);(106.02874,17.78);(106.02874,17.78) |
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