| 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 | (85.0,0.002002002);(86.0,0.001001001);(87.0,0.003003003);(88.0,0.008008008);(89.0,0.024024024);(90.0,0.006006006);(91.0,0.2552552553);(92.0,0.021021021);(93.0,0.002002002);(101.0,0.016016016);(102.0,0.017017017);(103.0,0.0920920921);(104.0,1.0);(105.0,0.1291291291);(106.0,0.008008008);(107.0,0.003003003);(115.0,0.012012012);(116.0,0.021021021);(117.0,0.004004004);(118.0,0.001001001);(119.0,0.001001001);(121.0,0.001001001);(128.0,0.001001001);(129.0,0.011011011);(130.0,0.002002002);(131.0,0.032032032);(132.0,0.038038038);(133.0,0.006006006);(134.0,0.001001001);(135.0,0.01001001);(136.0,0.001001001);(137.0,0.001001001);(145.0,0.004004004);(146.0,0.001001001);(147.0,0.004004004);(148.0,0.001001001);(149.0,0.002002002);(150.0,0.001001001);(151.0,0.001001001);(161.0,0.003003003);(162.0,0.003003003);(163.0,0.006006006);(164.0,0.001001001);(165.0,0.001001001);(173.0,0.001001001);(189.0,0.017017017);(190.0,0.005005005);(191.0,0.003003003);(205.0,0.01001001);(206.0,0.006006006);(207.0,0.1991991992);(208.0,0.036036036);(209.0,0.01001001);(210.0,0.001001001);(222.0,0.0960960961);(223.0,0.019019019);(224.0,0.005005005) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.004);(71.0,0.001);(72.0,0.048);(76.0,0.115);(77.0,0.225);(78.0,0.12);(79.0,0.057);(80.0,0.004);(84.0,0.002);(86.0,0.002);(87.0,0.004);(88.0,0.011);(89.0,0.031);(90.0,0.008);(91.0,0.332);(92.0,0.027);(93.0,0.003);(94.0,0.0);(95.0,0.001);(96.0,0.0);(101.0,0.021);(102.0,0.021);(103.0,0.105);(104.0,1.0);(105.0,0.128);(106.0,0.008);(107.0,0.002);(108.0,0.001);(109.0,0.001);(114.0,0.0);(115.0,0.013);(116.0,0.029);(117.0,0.005);(118.0,0.002);(119.0,0.001);(121.0,0.0);(126.0,0.0);(127.0,0.001);(128.0,0.001);(129.0,0.01);(130.0,0.002);(131.0,0.034);(132.0,0.037);(133.0,0.005);(135.0,0.01);(136.0,0.002);(137.0,0.002);(145.0,0.004);(146.0,0.002);(150.0,0.001);(151.0,0.001);(159.0,0.0);(160.0,0.001);(161.0,0.002);(162.0,0.003);(163.0,0.005);(164.0,0.001);(165.0,0.0);(173.0,0.001);(177.0,0.0);(180.0,0.0);(182.0,0.001);(185.0,0.0);(187.0,0.0);(188.0,0.001);(189.0,0.016);(190.0,0.003);(191.0,0.002);(203.0,0.0);(205.0,0.008);(206.0,0.004);(207.0,0.152);(208.0,0.026);(209.0,0.007);(210.0,0.001);(212.0,0.0);(222.0,0.066);(223.0,0.012);(224.0,0.003);(225.0,0.001);(226.0,0.0);(227.0,0.001);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(252.0,0.001);(255.0,0.0);(265.0,0.0);(273.0,0.0);(278.0,0.0);(298.0,0.0);(299.0,0.0);(311.0,0.0);(322.0,0.0);(336.0,0.0);(411.0,0.0);(431.0,0.0);(436.0,0.0);(441.0,0.0);(443.0,0.0);(448.0,0.0);(450.0,0.0);(471.0,0.0);(472.0,0.0);(473.0,0.0);(482.0,0.0);(483.0,0.0);(485.0,0.0);(515.0,0.0);(519.0,0.0);(522.0,0.0);(528.0,0.0);(537.0,0.0);(543.0,0.0);(548.0,0.0);(555.0,0.0);(559.0,0.0);(562.0,0.0);(567.0,0.0);(576.0,0.0);(580.0,0.0);(581.0,0.0);(592.0,0.0);(596.0,0.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (38.0,1.25);(39.0,7.37);(40.0,0.54);(41.0,1.17);(42.0,1.32);(45.0,7.64);(50.0,4.93);(51.0,11.73);(52.0,2.85);(53.0,1.39);(62.0,1.6);(63.0,5.36);(64.0,1.05);(65.0,9.98);(66.0,0.84);(73.0,0.51);(74.0,2.18);(75.0,1.69);(76.0,1.73);(77.0,16.7);(78.0,15.84);(79.0,9.25);(80.0,0.61);(89.0,2.62);(90.0,0.97);(91.0,99.99);(92.0,7.97);(102.0,1.85);(103.0,10.81);(104.0,63.47);(105.0,21.18);(106.0,1.6);(107.0,1.26);(131.0,1.87);(132.0,0.9);(133.0,1.04);(150.0,48.41);(151.0,4.87);(152.0,0.4) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,7.6);(50.0,3.4);(51.0,12.0);(63.0,0.34);(65.0,10.3);(77.0,14.5);(78.0,13.7);(79.0,0.85);(91.0,99.99);(92.0,14.5);(103.0,7.7);(104.0,4.79);(105.0,22.2);(150.0,35.9);(151.0,9.4) | | GC-MS | CI-B | positive | Not Available | View Spectrum | (133.0,40.0);(150.0,12.0);(151.0,99.99);(152.0,0.15);(165.0,17.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (18.0,3.07);(26.0,1.4);(27.0,8.78);(29.0,1.1);(31.0,1.3);(38.0,1.95);(39.0,11.24);(41.0,2.82);(42.0,1.89);(43.0,2.3);(44.0,1.23);(45.0,9.79);(50.0,7.59);(51.0,18.05);(52.0,4.85);(53.0,1.93);(55.0,1.76);(60.0,3.43);(62.0,1.59);(63.0,5.79);(64.0,1.28);(65.0,12.76);(73.0,1.98);(74.0,2.08);(75.0,1.89);(76.0,1.72);(77.0,18.99);(78.0,16.76);(79.0,9.07);(89.0,2.42);(91.0,99.99);(92.0,8.02);(102.0,1.57);(103.0,9.41);(104.0,52.1);(105.0,17.72);(106.0,1.19);(107.0,1.09);(131.0,1.35);(150.0,30.15);(151.0,3.36);(152.0,1.02) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (43.0,1.6);(65.0,3.4);(77.0,3.1);(78.0,1.06);(79.0,4.5);(91.0,99.99);(92.0,9.0);(103.0,0.32);(104.0,41.4);(105.0,15.5);(106.0,1.5);(107.0,0.1);(131.0,1.5);(132.0,1.3);(150.0,49.7);(151.0,5.7) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.05,0.085438);(87.05,0.153594);(88.05,0.361116);(89.05,1.390398);(90.15,0.406507);(91.05,20.559061);(92.1,1.631374);(93.05,0.105913);(94.1,0.004373);(95.1,0.039006);(96.1,0.009162);(97.1,0.019572);(98.1,0.020058);(99.1,0.065588);(100.05,0.05025);(101.05,0.622983);(102.05,0.641167);(103.15,4.76246);(104.1,100.0);(105.1,11.555861);(106.1,0.605632);(107.1,0.076554);(108.1,0.011591);(109.1,0.014298);(110.1,0.023598);(111.1,0.01985);(112.1,0.00347);(113.1,0.045946);(114.1,0.043587);(115.1,1.088763);(116.1,0.822593);(117.05,0.244515);(118.1,0.05372);(119.1,0.117226);(120.0,0.04317);(121.0,0.122778);(122.0,0.016796);(123.0,0.052679);(124.0,0.006732);(125.0,0.014506);(126.0,0.002637);(127.0,0.027832);(128.15,0.097098);(129.1,1.090637);(130.15,0.24507);(131.1,2.765597);(132.1,4.659115);(133.1,0.741666);(134.15,0.071488);(135.1,1.154489);(136.05,0.149916);(137.1,0.159077);(138.1,0.020822);(139.1,0.004373);(140.1,0.011382);(141.1,0.01985);(142.1,0.013742);(143.1,0.058162);(144.1,0.01749);(145.1,0.426704);(146.1,0.140615);(147.1,0.618263);(148.1,0.141518);(149.15,0.160257);(150.1,0.072251);(151.1,0.066005);(152.1,0.007912);(153.1,0.005622);(154.1,0.013742);(155.1,0.008259);(156.1,0.005483);(157.1,0.008467);(158.1,0.009509);(159.1,0.054136);(160.1,0.037618);(161.1,0.392835);(162.15,0.418029);(163.1,0.854658);(164.15,0.153247);(165.1,0.155399);(166.1,0.014714);(167.1,0.005622);(168.1,0.005275);(169.1,0.005969);(170.1,0.009578);(171.1,0.013256);(172.1,0.007704);(173.1,0.119863);(174.1,0.037479);(175.1,0.020613);(176.1,0.009925);(177.1,0.043448);(178.1,0.05025);(179.1,0.105219);(180.1,0.014367);(181.1,0.008745);(182.1,0.004026);(183.1,0.014853);(184.1,0.017074);(185.1,0.017629);(186.1,0.008398);(187.1,0.052262);(188.15,0.082384);(189.05,2.697025);(190.05,0.45988);(191.05,0.34779);(192.1,0.049486);(193.1,0.011244);(194.1,0.011799);(195.1,0.004928);(196.1,0.002637);(197.1,0.000972);(198.1,0.003609);(199.1,0.002152);(201.1,0.002846);(202.1,0.007843);(203.1,0.048584);(204.1,0.028942);(205.05,1.514912);(206.15,1.015401);(207.1,31.267898);(208.1,5.48386);(209.05,1.555792);(210.05,0.171709);(211.1,0.014575);(212.1,0.010064);(213.1,0.006594);(214.1,0.007149);(215.1,0.003609);(216.1,0.005622);(217.1,0.002637);(218.1,0.005969);(219.1,0.047265);(220.1,0.002707);(221.15,0.229524);(222.1,20.607158);(223.1,3.759135);(224.1,1.126519);(225.1,0.142559);(226.1,0.011799);(227.1,0.00472);(228.1,0.001458);(229.1,0.005414);(230.1,0.008814);(231.1,0.002915);(232.1,0.002013);(234.1,0.001805);(235.1,0.003401);(237.1,0.010827);(239.1,0.002707);(240.1,0.002499);(241.1,0.000139);(243.1,0.004373);(244.1,0.00347);(246.1,0.003748);(247.1,0.001805);(248.1,0.009578);(249.1,0.01048);(250.1,0.001319);(251.1,0.002707);(252.1,0.002846);(253.1,0.037618);(254.1,0.011244);(255.1,0.009023);(256.1,0.002637);(257.1,0.006732);(258.1,0.002013);(259.1,0.008259);(260.1,0.01048);(262.1,0.003262);(263.1,0.002013);(264.1,0.015269);(265.1,0.002082);(266.1,0.001666);(267.1,0.007357);(268.1,0.002707);(269.1,0.002637);(270.1,0.008467);(271.1,0.003609);(272.1,0.002152);(273.1,0.003054);(274.1,0.00236);(275.1,0.001527);(276.1,0.002637);(277.1,0.000972);(278.1,0.004303);(279.1,0.003748);(280.1,0.003609);(281.1,0.018392);(282.1,0.008606);(283.1,0.008398);(284.1,0.004164);(285.1,0.005622);(286.1,0.000208);(288.1,0.003956);(289.1,0.003956);(290.1,0.006802);(291.1,0.000139);(292.1,0.004026);(293.1,0.008051);(294.1,0.005691);(295.1,0.008051);(296.1,0.001527);(297.1,0.005483);(298.1,0.004511);(299.1,0.010272);(300.1,0.005275);(302.1,0.00111);(303.1,0.001458);(304.1,0.000694);(306.1,0.000902);(307.1,0.004511);(308.1,0.002152);(309.1,0.00819);(310.1,0.004303);(311.1,0.001805);(312.1,0.001527);(313.1,0.00937);(314.1,0.007288);(315.1,0.006941);(316.1,0.000347);(317.1,0.002707);(318.1,0.006524);(319.1,0.003956);(320.1,0.005067);(321.1,0.000694);(322.1,0.001666);(323.1,0.003609);(324.1,0.000139);(325.1,0.001319);(326.1,0.000347);(327.1,0.010411);(328.1,0.007704);(329.1,0.007843);(330.1,0.004581);(331.1,0.011244);(332.1,0.002915);(333.1,0.002499);(334.1,0.003193);(335.1,0.004858);(336.1,0.005275);(337.1,0.002499);(338.1,0.002082);(339.1,0.000139);(341.1,0.006038);(342.1,0.004858);(343.1,0.009856);(344.1,0.002915);(345.1,0.004858);(346.1,0.00937);(347.1,0.000694);(348.1,0.008606);(350.1,0.010133);(353.1,0.001249);(354.1,0.000208);(355.1,0.005969);(356.1,0.001527);(357.1,0.006038);(358.1,0.001805);(359.1,0.004511);(361.1,0.001805);(362.1,0.002915);(363.1,0.004373);(364.1,0.002915);(365.1,0.003817);(366.1,0.001874);(367.1,0.002152);(368.1,0.003956);(371.1,0.006941);(372.1,0.005622);(373.1,0.002152);(374.1,0.002152);(376.1,0.002082);(377.1,0.003956);(378.1,0.006941);(379.1,0.004858);(380.1,0.011382);(381.1,0.007288);(382.1,0.003817);(383.1,0.00229);(384.1,0.002152);(385.1,0.004164);(387.1,0.000694);(388.1,0.005067);(389.1,0.001805);(390.1,0.002846);(391.1,0.001458);(392.1,0.000139);(393.1,0.002637);(396.1,0.00229);(397.1,0.00236);(398.1,0.008606);(399.1,0.002707);(400.1,0.003956);(401.1,0.003193);(402.1,0.005969);(403.1,0.004373);(404.1,0.001666);(405.1,0.008745);(406.1,0.002082);(407.1,0.003748);(408.1,0.004164);(410.1,0.003748);(412.1,0.007912);(414.1,0.003054);(415.1,0.00937);(416.1,0.00111);(417.1,0.007288);(418.1,0.00347);(419.1,0.001319);(421.1,0.005969);(422.1,0.008259);(424.1,0.005067);(425.1,0.009717);(426.1,0.002707);(427.1,0.003748);(429.1,0.000416);(432.1,0.006732);(433.1,0.002915);(436.1,0.005414);(437.1,0.008745);(438.1,0.003609);(439.1,0.001249);(440.1,0.001874);(441.1,0.002637);(442.1,0.007357);(443.1,0.005275);(445.1,0.000902);(446.1,0.003817);(447.1,0.003262);(448.1,0.01048);(449.1,0.002846);(450.1,0.001458);(451.1,0.000139);(453.1,0.005414);(454.1,0.00229);(456.1,0.005969);(457.1,0.003817);(458.1,0.003262);(459.1,0.000972);(460.1,0.00236);(462.1,0.003401);(463.1,0.004511);(464.1,0.003748);(465.1,0.002152);(466.1,0.004164);(467.1,0.005067);(468.1,0.00229);(470.1,0.007079);(471.1,0.010133);(472.1,0.00347);(473.1,0.002082);(474.1,0.005969);(475.1,0.000902);(476.1,0.001319);(477.1,0.001319);(479.1,0.003609);(480.1,0.005483);(482.1,0.000208);(483.1,0.003193);(484.1,0.003748);(485.1,0.000416);(486.1,0.000416);(487.1,0.004581);(488.1,0.004581);(489.1,0.005691);(490.1,0.00229);(491.1,0.00347);(492.1,0.003817);(493.1,0.00111);(494.1,0.001319);(496.1,0.003817);(497.1,0.006246) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.2002);(86.0,0.1001);(87.0,0.3003);(88.0,0.800801);(89.0,2.402402);(90.0,0.600601);(91.0,25.525526);(92.0,2.102102);(93.0,0.2002);(101.0,1.601602);(102.0,1.701702);(103.0,9.209209);(104.0,100.0);(105.0,12.912913);(106.0,0.800801);(107.0,0.3003);(115.0,1.201201);(116.0,2.102102);(117.0,0.4004);(118.0,0.1001);(119.0,0.1001);(121.0,0.1001);(128.0,0.1001);(129.0,1.101101);(130.0,0.2002);(131.0,3.203203);(132.0,3.803804);(133.0,0.600601);(134.0,0.1001);(135.0,1.001001);(136.0,0.1001);(137.0,0.1001);(145.0,0.4004);(146.0,0.1001);(147.0,0.4004);(148.0,0.1001);(149.0,0.2002);(150.0,0.1001);(151.0,0.1001);(161.0,0.3003);(162.0,0.3003);(163.0,0.600601);(164.0,0.1001);(165.0,0.1001);(173.0,0.1001);(189.0,1.701702);(190.0,0.500501);(191.0,0.3003);(205.0,1.001001);(206.0,0.600601);(207.0,19.91992);(208.0,3.603604);(209.0,1.001001);(210.0,0.1001);(222.0,9.60961);(223.0,1.901902);(224.0,0.500501) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.004);(71.0,0.001);(72.0,0.048);(76.0,0.115);(77.0,0.225);(78.0,0.12);(79.0,0.057);(80.0,0.004);(84.0,0.002);(86.0,0.002);(87.0,0.004);(88.0,0.011);(89.0,0.031);(90.0,0.008);(91.0,0.332);(92.0,0.027);(93.0,0.003);(94.0,0.0);(95.0,0.001);(96.0,0.0);(101.0,0.021);(102.0,0.021);(103.0,0.105);(104.0,1.0);(105.0,0.128);(106.0,0.008);(107.0,0.002);(108.0,0.001);(109.0,0.001);(114.0,0.0);(115.0,0.013);(116.0,0.029);(117.0,0.005);(118.0,0.002);(119.0,0.001);(121.0,0.0);(126.0,0.0);(127.0,0.001);(128.0,0.001);(129.0,0.01);(130.0,0.002);(131.0,0.034);(132.0,0.037);(133.0,0.005);(135.0,0.01);(136.0,0.002);(137.0,0.002);(145.0,0.004);(146.0,0.002);(150.0,0.001);(151.0,0.001);(159.0,0.0);(160.0,0.001);(161.0,0.002);(162.0,0.003);(163.0,0.005);(164.0,0.001);(165.0,0.0);(173.0,0.001);(177.0,0.0);(180.0,0.0);(182.0,0.001);(185.0,0.0);(187.0,0.0);(188.0,0.001);(189.0,0.016);(190.0,0.003);(191.0,0.002);(203.0,0.0);(205.0,0.008);(206.0,0.004);(207.0,0.152);(208.0,0.026);(209.0,0.007);(210.0,0.001);(212.0,0.0);(222.0,0.066);(223.0,0.012);(224.0,0.003);(225.0,0.001);(226.0,0.0);(227.0,0.001);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(252.0,0.001);(255.0,0.0);(265.0,0.0);(273.0,0.0);(278.0,0.0);(298.0,0.0);(299.0,0.0);(311.0,0.0);(322.0,0.0);(336.0,0.0);(411.0,0.0);(431.0,0.0);(436.0,0.0);(441.0,0.0);(443.0,0.0);(448.0,0.0);(450.0,0.0);(471.0,0.0);(472.0,0.0);(473.0,0.0);(482.0,0.0);(483.0,0.0);(485.0,0.0);(515.0,0.0);(519.0,0.0);(522.0,0.0);(528.0,0.0);(537.0,0.0);(543.0,0.0);(548.0,0.0);(555.0,0.0);(559.0,0.0);(562.0,0.0);(567.0,0.0);(576.0,0.0);(580.0,0.0);(581.0,0.0);(592.0,0.0);(596.0,0.0) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (87.0,0.2002);(88.0,0.900901);(89.0,2.602603);(90.0,0.600601);(91.0,35.835836);(92.0,2.502503);(101.0,1.801802);(102.0,1.601602);(103.0,9.60961);(104.0,100.0);(105.0,12.612613);(106.0,0.600601);(107.0,0.1001);(115.0,0.900901);(116.0,2.502503);(117.0,0.3003);(129.0,0.700701);(131.0,2.802803);(132.0,3.203203);(133.0,0.3003);(135.0,0.600601);(145.0,0.2002);(147.0,0.2002);(161.0,0.1001);(162.0,0.1001);(163.0,0.4004);(189.0,1.301301);(190.0,0.1001);(191.0,0.1001);(205.0,0.600601);(206.0,0.2002);(207.0,15.315315);(208.0,2.302302);(209.0,0.500501);(222.0,6.606607);(223.0,1.001001);(224.0,0.2002) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.302766043);(29.00219012,0.8795383898);(39.02292522,1.120406903);(43.98927962,1.259437096);(44.99710422,5.044198133);(46.00492882,0.9103119445);(49.00727602,1.217355318);(51.02292522,1.492617172);(59.01275342,1.426177937);(63.02292522,2.431355428);(65.03857442,1.797902991);(77.03857442,1.05148301);(78.04639902,2.316949309);(79.05422362,1.095199451);(90.04639902,4.719847213);(91.05422362,19.77380946);(92.05761766,1.570190241);(102.046399,1.446386218);(103.0542236,3.909252764);(104.0620482,8.958006975);(105.0698728,7.232887475);(106.0776974,4.78858404);(109.0284026,1.629337039);(111.0440518,1.057118561);(121.0284026,0.8580028);(132.0569623,3.942757426);(133.0647869,4.538708419);(134.0362272,1.071990851);(135.0440518,2.067595485);(149.059701,1.994622172);(150.0675256,7.095203733) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,0.7610044654);(57.01550142,1.376806092);(59.03115062,1.321293462);(71.03115062,1.424345546);(72.03897522,0.8085294507);(73.01041552,1.321903155);(73.04679982,11.2913248);(74.04796012,0.9661561668);(74.05462442,1.171046157);(75.02606472,4.072686586);(75.06244902,1.115300901);(89.04171392,5.298268338);(90.04639902,1.364577804);(90.04953852,2.194696163);(91.05422362,10.0452694);(91.05736312,1.846233191);(92.05761766,0.7976704744);(103.0542236,1.43694766);(104.0620482,1.730487893);(105.0698728,7.509095961);(106.0776974,0.8273083888);(107.085522,1.58514091);(117.036628,2.764808036);(131.0522772,1.328633628);(133.0647869,5.492848539);(149.059701,2.183518888);(150.0675256,1.44608679);(151.0753502,0.7545605488);(207.0835756,3.751938184);(221.0992248,0.7798956981);(222.1070494,1.384250048) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (43.98927962,0.9862451352);(44.99710422,3.950031238);(46.00492882,0.7128507886);(59.01275342,1.785206816);(63.02292522,0.6765006475);(65.03857442,0.6677336719);(73.02840262,0.6659621057);(78.04639902,1.81436611);(79.05422362,0.857633251);(90.04639902,4.158532306);(91.05422362,21.27256484);(92.05761766,1.689202769);(102.046399,1.132642016);(103.0542236,3.63996022);(104.0620482,7.338935039);(105.0654423,0.6660194607);(105.0698728,7.543796345);(106.0732716,0.6857426734);(106.0776974,3.408753245);(109.0284026,1.275905208);(111.0440518,0.8278127122);(121.0284026,0.6718883305);(132.0569623,2.14181006);(133.0647869,1.243897918);(134.0362272,0.8394589662);(135.0440518,1.619101101);(148.0518764,1.394365635);(149.059701,1.063176849);(150.0675256,5.555766208) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (43.98927962,0.9862451352);(44.99710422,3.950031238);(46.00492882,0.7128507886);(59.01275342,1.785206816);(63.02292522,0.6765006475);(65.03857442,0.6677336719);(73.02840262,0.6659621057);(78.04639902,1.81436611);(79.05422362,0.857633251);(90.04639902,4.158532306);(91.05422362,21.27256484);(92.05761766,1.689202769);(102.046399,1.132642016);(103.0542236,3.63996022);(104.0620482,7.338935039);(105.0654423,0.6660194607);(105.0698728,7.543796345);(106.0732716,0.6857426734);(106.0776974,3.408753245);(109.0284026,1.275905208);(111.0440518,0.8278127122);(121.0284026,0.6718883305);(132.0569623,2.14181006);(133.0647869,1.243897918);(134.0362272,0.8394589662);(135.0440518,1.619101101);(148.0518764,1.394365635);(149.059701,1.063176849);(150.0675256,5.555766208) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,0.9379176697);(57.01550142,1.143483133);(57.06987282,1.936227164);(59.03115062,3.032219104);(61.04679982,0.7319481783);(73.01041552,2.629732047);(75.02606472,9.383073883);(76.02688973,0.6985433736);(76.03388932,0.7233806929);(77.04171392,2.37574355);(90.04639902,0.7186211133);(91.05422362,6.87368101);(103.0209788,1.606612984);(103.0542236,1.101952747);(104.0620482,0.9113186012);(105.0698728,6.865761932);(107.085522,1.593787517);(115.0937474,1.211612478);(117.0730123,1.746565611);(131.0886615,1.880702134);(133.0647869,6.38789265);(149.059701,2.813886743);(150.0675256,1.139427435);(151.0753502,2.572922563);(193.0679264,0.9027171754);(206.075751,0.6980388734);(207.0835756,4.37309939);(208.085887,0.7730218975);(208.0914002,1.394673956);(209.0992248,0.8498207496);(249.1305232,1.481895788) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (118.0,29.93);(150.0,100.0);(151.0,38.432) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (64.0,32.584);(65.0,19.723);(78.0,22.599);(86.0,39.153);(88.0,18.354);(90.0,100.0);(91.0,39.103);(105.0,16.163);(118.0,18.89) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (86.0,81.351);(90.0,100.0) | | LC-MS/MS | EI-B (HITACHI M-80) | Positive | Not Available | View Spectrum | (38.0,0.013013013);(39.0,0.0740740741);(40.0,0.005005005);(41.0,0.012012012);(42.0,0.013013013);(45.0,0.0760760761);(50.0,0.049049049);(51.0,0.1171171171);(52.0,0.029029029);(53.0,0.014014014);(62.0,0.016016016);(63.0,0.0540540541);(64.0,0.011011011);(65.0,0.1001001001);(66.0,0.008008008);(73.0,0.005005005);(74.0,0.022022022);(75.0,0.017017017);(76.0,0.017017017);(77.0,0.1671671672);(78.0,0.1581581582);(79.0,0.0930930931);(80.0,0.006006006);(89.0,0.026026026);(90.0,0.01001001);(91.0,1.0);(92.0,0.0800800801);(102.0,0.019019019);(103.0,0.1081081081);(104.0,0.6356356356);(105.0,0.2122122122);(106.0,0.016016016);(107.0,0.013013013);(131.0,0.019019019);(132.0,0.009009009);(133.0,0.01001001);(150.0,0.4844844845);(151.0,0.049049049);(152.0,0.004004004) | | LC-MS/MS | EI-B (JEOL JMS-D-300) | Positive | Not Available | View Spectrum | (39.0,0.0760760761);(50.0,0.034034034);(51.0,0.1201201201);(63.0,0.003003003);(65.0,0.1031031031);(77.0,0.1451451451);(78.0,0.1371371371);(79.0,0.009009009);(91.0,1.0);(92.0,0.1451451451);(103.0,0.0770770771);(104.0,0.048048048);(105.0,0.2222222222);(150.0,0.3593593594);(151.0,0.0940940941) | | LC-MS/MS | CI-B (JEOL JMS-D-300) | Positive | Not Available | View Spectrum | (133.0,0.4004004004);(150.0,0.1201201201);(151.0,1.0);(152.0,0.002002002);(165.0,0.1701701702) | | LC-MS/MS | EI-B (HITACHI M-80B) | Positive | Not Available | View Spectrum | (18.0,0.031031031);(26.0,0.014014014);(27.0,0.0880880881);(29.0,0.011011011);(31.0,0.013013013);(38.0,0.02002002);(39.0,0.1121121121);(41.0,0.028028028);(42.0,0.019019019);(43.0,0.023023023);(44.0,0.012012012);(45.0,0.0980980981);(50.0,0.0760760761);(51.0,0.1811811812);(52.0,0.049049049);(53.0,0.019019019);(55.0,0.018018018);(60.0,0.034034034);(62.0,0.016016016);(63.0,0.0580580581);(64.0,0.013013013);(65.0,0.1281281281);(73.0,0.02002002);(74.0,0.021021021);(75.0,0.019019019);(76.0,0.017017017);(77.0,0.1901901902);(78.0,0.1681681682);(79.0,0.0910910911);(89.0,0.024024024);(91.0,1.0);(92.0,0.0800800801);(102.0,0.016016016);(103.0,0.0940940941);(104.0,0.5215215215);(105.0,0.1771771772);(106.0,0.012012012);(107.0,0.011011011);(131.0,0.014014014);(150.0,0.3023023023);(151.0,0.034034034);(152.0,0.01001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.0,0.001001001);(76.4,0.001001001);(87.4,0.001001001);(89.0,0.001001001);(94.7,0.001001001);(103.9,0.001001001);(104.9,0.018018018);(114.8,0.001001001);(116.0,0.001001001);(130.9,0.001001001);(147.9,0.001001001);(149.1,1.0);(167.5,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (58.8,0.003003003);(70.7,0.001001001);(76.9,0.002002002);(87.1,0.001001001);(89.1,0.001001001);(92.8,0.001001001);(94.5,0.001001001);(103.2,0.002002002);(103.5,0.001001001);(104.9,0.3483483483);(121.0,0.002002002);(130.7,0.002002002);(131.3,0.001001001);(134.2,0.001001001);(147.8,0.001001001);(149.3,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.2,0.2332332332);(74.8,0.0670670671);(77.1,0.2752752753);(103.2,0.1171171171);(105.3,0.5915915916);(121.2,0.0920920921);(130.6,0.042042042);(149.0,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (92.6,1.0);(102.6,0.1821821822) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (149.061,507.0);(150.064,42.0);(217.048,140.0);(231.984,56.0);(248.987,43.0);(251.002,41.0);(279.019,140.0);(285.036,37.0);(305.137,50.0);(321.111,999.0);(322.114,184.0);(323.116,32.0);(339.988,31.0);(343.966,37.0);(355.06,31.0);(382.051,165.0);(383.081,127.0);(384.086,38.0);(387.103,31.0);(389.098,49.0);(399.055,42.0);(415.097,31.0);(444.051,217.0);(445.055,48.0);(448.029,31.0);(487.144,86.0);(493.16,58.0);(548.115,148.0);(549.115,53.0);(561.145,32.0);(652.175,71.0);(659.194,38.0);(665.21,62.0);(837.262,35.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (149.061,507.0);(150.064,42.0);(217.048,140.0);(231.984,56.0);(248.987,43.0);(251.002,41.0);(279.019,140.0);(285.036,37.0);(305.137,50.0);(321.111,999.0);(322.114,184.0);(323.116,32.0);(339.988,31.0);(343.966,37.0);(355.06,31.0);(382.051,165.0);(383.081,127.0);(384.086,38.0);(387.103,31.0);(389.098,49.0);(399.055,42.0);(415.097,31.0);(444.051,217.0);(445.055,48.0);(448.029,31.0);(487.144,86.0);(493.16,58.0);(548.115,148.0);(549.115,53.0);(561.145,32.0);(652.175,71.0);(659.194,38.0);(665.21,62.0);(837.262,35.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.0,0.048265);(76.4,0.004161);(87.4,0.004161);(89.0,0.003329);(94.7,0.003329);(103.9,0.003329);(104.9,1.849032);(114.8,0.006657);(116.0,0.01165);(130.9,0.010818);(147.9,0.051593);(149.1,100.0);(167.5,0.034118) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (58.8,0.254414);(70.7,0.015419);(76.9,0.1619);(87.1,0.092514);(89.1,0.131062);(92.8,0.061676);(94.5,0.015419);(103.2,0.185028);(103.5,0.046257);(104.9,34.846966);(121.0,0.231285);(130.7,0.238995);(131.3,0.046257);(134.2,0.053967);(147.8,0.069386);(149.3,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.2,23.333333);(74.8,6.666667);(77.1,27.5);(103.2,11.666667);(105.3,59.166667);(121.2,9.166667);(130.6,4.166667);(149.0,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (92.6,100.0);(102.6,18.181818) | | LC-MS/MS | LC-ESI-IT | negative | Not Available | View Spectrum | (105.2,100.0);(106.2,8.4);(116.1,0.3);(117.1,0.3);(130.1,1.2);(131.1,1.4);(132.1,0.2);(134.1,0.1);(135.0,0.1);(148.1,0.5);(149.1,37.4);(150.1,4.7) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (107.04938,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.1217558963);(27.0234751,0.0961022706);(41.03912516,0.0990571743);(44.99765427,0.0656758094);(51.0234751,0.0933987219);(53.03912516,0.0831886841);(55.01838972,1.009994198);(65.03912516,0.0669854509);(67.01838972,0.0447371743);(67.05477522,0.0868250301);(69.03403978,0.0415684921);(71.01330434,0.2387679214);(73.0289544,0.7086061444);(79.05477522,0.6440730447);(81.03403978,0.0491150953);(93.03403978,0.0380210518);(95.01330434,0.0393303461);(97.0289544,0.0360391854);(103.0547752,0.8354838101);(105.0340398,0.0347568034);(105.0704253,6.440601311);(107.0496898,0.0692285979);(107.0860754,0.6508243103);(111.0446045,0.0675573908);(117.0340398,0.1064276357);(121.0289544,0.0396347583);(123.0446045,0.0398048169);(125.0602545,0.0437978395);(133.0653399,64.72535732);(135.0446045,0.1168961731);(151.0759046,23.26638754) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.6915624398);(29.03912516,0.1176403969);(41.03912516,0.1861204462);(51.0234751,0.294008144);(53.03912516,0.2351016659);(55.01838972,3.343686733);(65.03912516,0.2628861883);(67.01838972,0.2018113382);(67.05477522,0.2952130564);(69.03403978,0.1921895018);(71.01330434,1.008352049);(73.0289544,2.462908342);(75.0234751,0.1905165512);(77.03912516,0.2594639558);(79.05477522,1.967108717);(81.07042529,0.1444494163);(91.05477522,0.1373648476);(103.0183897,0.250848534);(103.0547752,2.017972689);(105.0340398,0.4737475756);(105.0704253,27.93599338);(107.0496898,0.3704031077);(107.0860754,2.544246775);(111.0446045,0.1725269099);(117.0340398,0.2010439602);(121.0289544,0.1866343813);(123.0446045,0.2931491795);(125.0602545,0.20528123);(133.0653399,40.17179757);(135.0446045,0.3479210248);(151.0759046,12.83804989) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,7.337879064);(29.03912516,1.127039605);(41.03912516,1.221469546);(44.99765427,0.8094123788);(51.0234751,3.900109831);(53.03912516,3.030932325);(55.01838972,6.600803151);(55.05477522,0.8716873052);(65.03912516,1.826644629);(67.01838972,0.6306548324);(67.05477522,0.8074523231);(69.03403978,0.7175120355);(71.01330434,1.677655764);(73.0289544,1.929993998);(75.0234751,0.6884265476);(77.03912516,2.967185408);(79.01838972,0.6175946774);(79.05477522,10.20847859);(81.03403978,0.5532724804);(81.07042529,0.468225785);(89.03912516,2.307051726);(91.05477522,3.087958329);(95.01330434,0.5076786746);(103.0547752,9.598234647);(105.0340398,1.072115303);(105.0704253,19.86991134);(107.0496898,1.521304054);(107.0860754,4.287135121);(117.0340398,0.9940930551);(121.0289544,0.68980538);(133.0653399,8.072282096) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.1217558963);(27.0234751,0.0961022706);(41.03912516,0.0990571743);(44.99765427,0.0656758094);(51.0234751,0.0933987219);(53.03912516,0.0831886841);(55.01838972,1.009994198);(65.03912516,0.0669854509);(67.01838972,0.0447371743);(67.05477522,0.0868250301);(69.03403978,0.0415684921);(71.01330434,0.2387679214);(73.0289544,0.7086061444);(79.05477522,0.6440730447);(81.03403978,0.0491150953);(93.03403978,0.0380210518);(95.01330434,0.0393303461);(97.0289544,0.0360391854);(103.0547752,0.8354838101);(105.0340398,0.0347568034);(105.0704253,6.440601311);(107.0496898,0.0692285979);(107.0860754,0.6508243103);(111.0446045,0.0675573908);(117.0340398,0.1064276357);(121.0289544,0.0396347583);(123.0446045,0.0398048169);(125.0602545,0.0437978395);(133.0653399,64.72535732);(135.0446045,0.1168961731);(151.0759046,23.26638754) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.6915624398);(29.03912516,0.1176403969);(41.03912516,0.1861204462);(51.0234751,0.294008144);(53.03912516,0.2351016659);(55.01838972,3.343686733);(65.03912516,0.2628861883);(67.01838972,0.2018113382);(67.05477522,0.2952130564);(69.03403978,0.1921895018);(71.01330434,1.008352049);(73.0289544,2.462908342);(75.0234751,0.1905165512);(77.03912516,0.2594639558);(79.05477522,1.967108717);(81.07042529,0.1444494163);(91.05477522,0.1373648476);(103.0183897,0.250848534);(103.0547752,2.017972689);(105.0340398,0.4737475756);(105.0704253,27.93599338);(107.0496898,0.3704031077);(107.0860754,2.544246775);(111.0446045,0.1725269099);(117.0340398,0.2010439602);(121.0289544,0.1866343813);(123.0446045,0.2931491795);(125.0602545,0.20528123);(133.0653399,40.17179757);(135.0446045,0.3479210248);(151.0759046,12.83804989) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,7.337879064);(29.03912516,1.127039605);(41.03912516,1.221469546);(44.99765427,0.8094123788);(51.0234751,3.900109831);(53.03912516,3.030932325);(55.01838972,6.600803151);(55.05477522,0.8716873052);(65.03912516,1.826644629);(67.01838972,0.6306548324);(67.05477522,0.8074523231);(69.03403978,0.7175120355);(71.01330434,1.677655764);(73.0289544,1.929993998);(75.0234751,0.6884265476);(77.03912516,2.967185408);(79.01838972,0.6175946774);(79.05477522,10.20847859);(81.03403978,0.5532724804);(81.07042529,0.468225785);(89.03912516,2.307051726);(91.05477522,3.087958329);(95.01330434,0.5076786746);(103.0547752,9.598234647);(105.0340398,1.072115303);(105.0704253,19.86991134);(107.0496898,1.521304054);(107.0860754,4.287135121);(117.0340398,0.9940930551);(121.0289544,0.68980538);(133.0653399,8.072282096) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2136352408);(29.00273965,0.0273339989);(39.0234751,0.0110246984);(41.03912516,0.0032331511);(44.99765427,0.1477986669);(47.01330434,0.0198237043);(49.00782503,0.0073785434);(51.0234751,0.0553459606);(53.00273965,0.0032471657);(65.03912516,0.019527774);(68.99765427,0.002144982);(71.01330434,0.0198212433);(77.03912516,0.1534334801);(79.05477522,0.0156604419);(81.03403978,0.001508252);(85.0289544,0.0170579065);(89.03912516,0.0036056596);(95.01330434,0.0072099623);(97.0289544,0.050101699);(101.0391252,0.1423377043);(103.0547752,0.7583645968);(105.0340398,0.0090530396);(105.0704253,12.23409815);(107.0133043,0.0052177533);(115.0183897,0.0036863219);(119.0133043,0.0104439558);(121.0289544,0.0258082431);(123.0446045,0.1386715118);(131.0496898,16.923829);(133.0289544,0.1087979517);(149.0602545,68.86079925) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.2943973135);(29.00273965,0.192901158);(39.0234751,0.0786809032);(41.03912516,0.0204656568);(44.99765427,1.046208412);(47.01330434,0.0697288516);(49.00782503,0.0224535028);(51.0234751,0.0800074031);(53.00273965,0.0476563642);(65.03912516,0.1196525431);(71.01330434,0.0745635552);(75.0234751,0.0201316245);(77.03912516,0.4961229196);(79.05477522,0.0951693968);(85.0289544,0.0913368391);(89.03912516,0.0424936859);(95.01330434,0.0207169839);(97.0289544,0.0600545936);(101.0391252,1.10247343);(103.0183897,0.0292615689);(103.0547752,2.65329537);(105.0340398,0.0763768607);(105.0704253,22.05746203);(107.0133043,0.0196478306);(115.0183897,0.0233623456);(119.0133043,0.112517817);(121.0289544,0.1577828123);(123.0446045,0.2504590081);(131.0496898,32.18288591);(133.0289544,0.3373575369);(149.0602545,38.12437578) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (29.00273965,1.850293855);(39.0234751,0.357755336);(44.99765427,8.142474367);(47.01330434,0.3217935172);(49.00782503,0.3739915592);(51.0234751,1.04588756);(53.00273965,1.105451752);(59.01330434,0.7843902125);(65.03912516,0.7873565297);(67.01838972,0.2441236541);(68.99765427,1.074125799);(71.01330434,0.6796726181);(75.0234751,0.645661424);(77.00273965,0.3235324979);(77.03912516,9.859860326);(79.05477522,0.9466219471);(89.03912516,0.9549809313);(97.0289544,0.4428782002);(101.0391252,4.735160116);(103.0183897,0.9716692381);(103.0547752,8.573277592);(105.0340398,0.8654544332);(105.0704253,17.94425562);(107.0133043,0.5250271833);(115.0183897,0.5833326382);(119.0133043,0.5263961676);(121.0289544,0.8854461831);(123.0446045,0.7856907545);(131.0496898,27.71319698);(133.0289544,1.480201002);(149.0602545,4.470039999) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2136352408);(29.00273965,0.0273339989);(39.0234751,0.0110246984);(41.03912516,0.0032331511);(44.99765427,0.1477986669);(47.01330434,0.0198237043);(49.00782503,0.0073785434);(51.0234751,0.0553459606);(53.00273965,0.0032471657);(65.03912516,0.019527774);(68.99765427,0.002144982);(71.01330434,0.0198212433);(77.03912516,0.1534334801);(79.05477522,0.0156604419);(81.03403978,0.001508252);(85.0289544,0.0170579065);(89.03912516,0.0036056596);(95.01330434,0.0072099623);(97.0289544,0.050101699);(101.0391252,0.1423377043);(103.0547752,0.7583645968);(105.0340398,0.0090530396);(105.0704253,12.23409815);(107.0133043,0.0052177533);(115.0183897,0.0036863219);(119.0133043,0.0104439558);(121.0289544,0.0258082431);(123.0446045,0.1386715118);(131.0496898,16.923829);(133.0289544,0.1087979517);(149.0602545,68.86079925) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.2943973135);(29.00273965,0.192901158);(39.0234751,0.0786809032);(41.03912516,0.0204656568);(44.99765427,1.046208412);(47.01330434,0.0697288516);(49.00782503,0.0224535028);(51.0234751,0.0800074031);(53.00273965,0.0476563642);(65.03912516,0.1196525431);(71.01330434,0.0745635552);(75.0234751,0.0201316245);(77.03912516,0.4961229196);(79.05477522,0.0951693968);(85.0289544,0.0913368391);(89.03912516,0.0424936859);(95.01330434,0.0207169839);(97.0289544,0.0600545936);(101.0391252,1.10247343);(103.0183897,0.0292615689);(103.0547752,2.65329537);(105.0340398,0.0763768607);(105.0704253,22.05746203);(107.0133043,0.0196478306);(115.0183897,0.0233623456);(119.0133043,0.112517817);(121.0289544,0.1577828123);(123.0446045,0.2504590081);(131.0496898,32.18288591);(133.0289544,0.3373575369);(149.0602545,38.12437578) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (29.00273965,1.850293855);(39.0234751,0.357755336);(44.99765427,8.142474367);(47.01330434,0.3217935172);(49.00782503,0.3739915592);(51.0234751,1.04588756);(53.00273965,1.105451752);(59.01330434,0.7843902125);(65.03912516,0.7873565297);(67.01838972,0.2441236541);(68.99765427,1.074125799);(71.01330434,0.6796726181);(75.0234751,0.645661424);(77.00273965,0.3235324979);(77.03912516,9.859860326);(79.05477522,0.9466219471);(89.03912516,0.9549809313);(97.0289544,0.4428782002);(101.0391252,4.735160116);(103.0183897,0.9716692381);(103.0547752,8.573277592);(105.0340398,0.8654544332);(105.0704253,17.94425562);(107.0133043,0.5250271833);(115.0183897,0.5833326382);(119.0133043,0.5263961676);(121.0289544,0.8854461831);(123.0446045,0.7856907545);(131.0496898,27.71319698);(133.0289544,1.480201002);(149.0602545,4.470039999) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (105.07097,53.88);(105.07097,53.88);(105.07097,53.88);(105.07097,53.88);(131.05024,52.8);(131.05024,52.8);(131.05024,52.8);(149.0608,100.0);(149.0608,100.0);(149.0608,100.0);(149.0608,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (77.03967,19.33);(77.03967,19.33);(77.03967,19.33);(105.07097,100.0);(105.07097,100.0);(105.07097,100.0);(105.07097,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (44.9982,7.25);(49.00837,9.04);(51.02402,12.62);(59.01385,11.64);(63.02402,20.26);(77.03967,100.0);(77.03967,100.0);(77.03967,100.0);(103.05532,5.64);(103.05532,5.64);(103.05532,5.64);(103.05532,5.64);(107.01385,9.45);(119.01385,4.83);(119.01385,4.83);(123.04515,4.91);(123.04515,4.91) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(105.06988,46.13);(105.06988,46.13);(105.06988,46.13);(105.06988,46.13);(133.06479,62.77);(133.06479,62.77);(133.06479,62.77);(133.06479,62.77);(151.07536,18.73);(151.07536,18.73);(151.07536,18.73);(151.07536,18.73) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (79.05423,25.44);(79.05423,25.44);(79.05423,25.44);(91.05423,77.98);(91.05423,77.98);(91.05423,77.98);(91.05423,77.98);(105.06988,100.0);(105.06988,100.0);(105.06988,100.0);(105.06988,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (53.03858,15.18);(65.03858,75.34);(65.03858,75.34);(77.03858,71.15);(77.03858,71.15);(79.05423,86.47);(79.05423,86.47);(79.05423,86.47);(89.03858,16.43);(89.03858,16.43);(89.03858,16.43);(89.03858,16.43);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(103.05423,15.43);(103.05423,15.43);(103.05423,15.43);(103.05423,15.43);(105.06988,98.93);(105.06988,98.93);(105.06988,98.93);(105.06988,98.93) |
| 
