| 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 | (85.0,0.003003003);(89.0,0.004004004);(90.0,0.009009009);(91.0,0.015015015);(92.0,0.004004004);(93.0,0.006006006);(94.0,0.001001001);(95.0,0.003003003);(96.0,0.001001001);(103.0,0.005005005);(104.0,0.01001001);(105.0,1.0);(106.0,0.0790790791);(107.0,0.012012012);(108.0,0.001001001);(109.0,0.002002002);(117.0,0.001001001);(118.0,0.001001001);(119.0,0.013013013);(120.0,0.004004004);(121.0,0.015015015);(122.0,0.007007007);(123.0,0.001001001);(131.0,0.001001001);(133.0,0.003003003);(134.0,0.009009009);(135.0,0.6746746747);(136.0,0.0950950951);(137.0,0.029029029);(138.0,0.002002002);(149.0,0.006006006);(150.0,0.002002002);(151.0,0.001001001);(161.0,0.001001001);(163.0,0.004004004);(164.0,0.003003003);(165.0,0.001001001);(175.0,0.001001001);(178.0,0.005005005);(179.0,0.8378378378);(180.0,0.1281281281);(181.0,0.04004004);(182.0,0.004004004);(193.0,0.016016016);(194.0,0.0750750751);(195.0,0.012012012);(196.0,0.003003003) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.016);(76.0,0.073);(77.0,0.869);(78.0,0.084);(79.0,0.075);(81.0,0.013);(83.0,0.011);(85.0,0.008);(89.0,0.027);(90.0,0.013);(91.0,0.018);(92.0,0.01);(93.0,0.012);(95.0,0.014);(103.0,0.021);(105.0,1.0);(106.0,0.076);(107.0,0.014);(109.0,0.007);(119.0,0.014);(120.0,0.01);(121.0,0.015);(122.0,0.01);(135.0,0.72);(136.0,0.101);(137.0,0.03);(138.0,0.005);(150.0,0.007);(163.0,0.006);(164.0,0.01);(179.0,0.93);(180.0,0.13);(181.0,0.04);(182.0,0.006);(193.0,0.022);(194.0,0.069);(195.0,0.012);(196.0,0.006) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (50.0,20.0);(51.0,33.0);(52.0,6.0);(76.0,9.0);(77.0,72.0);(78.0,8.0);(105.0,99.99);(106.0,9.0);(121.0,12.0);(122.0,85.0);(123.0,13.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (17.0,5.6);(18.0,27.7);(28.0,2.6);(37.0,2.1);(38.0,4.3);(38.5,1.9);(39.0,4.6);(45.0,0.15);(47.0,1.5);(50.0,13.7);(51.0,25.4);(52.0,0.41);(52.5,2.1);(65.0,1.9);(66.0,1.3);(73.0,0.13);(74.0,5.2);(76.0,4.5);(77.0,62.4);(78.0,0.57);(94.0,2.2);(105.0,99.99);(106.0,7.6);(122.0,8.8);(123.0,7.1) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (27.0,3.15);(37.0,2.71);(38.0,4.12);(39.0,6.51);(44.0,1.95);(45.0,2.17);(49.0,2.17);(50.0,17.68);(51.0,31.02);(52.0,5.42);(53.0,1.63);(63.0,2.17);(65.0,4.34);(66.0,3.25);(73.0,2.17);(74.0,7.81);(75.0,4.34);(76.0,6.51);(77.0,86.88);(78.0,9.76);(91.0,2.71);(94.0,3.8);(104.0,2.17);(105.0,99.99);(106.0,9.22);(120.0,6.51);(121.0,5.42);(122.0,68.33);(123.0,6.4) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (17.0,1.1);(26.0,1.23);(27.0,2.97);(37.0,2.65);(38.0,5.5);(39.0,8.12);(45.0,6.1);(49.0,2.46);(50.0,24.1);(51.0,40.89);(52.0,6.91);(53.0,1.46);(61.0,1.04);(62.0,1.08);(63.0,1.17);(65.0,2.2);(66.0,1.9);(73.0,1.92);(74.0,9.14);(75.0,3.3);(76.0,6.65);(77.0,74.48);(78.0,8.26);(94.0,2.78);(105.0,99.99);(106.0,8.4);(122.0,82.82);(123.0,6.2) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,3.7);(40.0,4.1);(41.0,0.9);(43.0,1.9);(44.0,3.7);(45.0,2.7);(50.0,1.5);(51.0,15.8);(52.0,5.4);(55.0,1.3);(57.0,1.4);(60.0,1.5);(65.0,2.7);(66.0,1.8);(73.0,1.6);(76.0,3.6);(77.0,64.3);(78.0,9.1);(94.0,3.3);(104.0,1.2);(105.0,99.3);(106.0,7.5);(121.0,1.2);(122.0,99.99);(123.0,7.4);(124.0,0.8) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.0,0.054886);(87.0,0.04481);(88.0,0.012197);(89.55,5.220525);(90.1,1.158437);(91.05,1.151543);(92.1,0.297498);(93.0,0.39905);(94.0,0.077954);(95.0,0.250831);(96.0,0.110832);(97.0,0.051174);(98.0,0.030757);(99.0,0.028106);(100.0,0.020947);(101.0,0.034204);(102.0,0.030227);(103.05,0.460564);(104.05,0.641661);(105.05,87.090411);(106.05,6.805322);(107.0,0.998022);(108.0,0.09784);(109.0,0.152461);(110.0,0.046401);(111.0,0.029432);(112.0,0.031288);(113.0,0.012462);(114.0,0.003712);(115.0,0.034204);(116.0,0.023068);(117.0,0.102348);(118.0,0.08034);(119.05,1.080218);(120.05,0.283179);(121.05,1.232944);(122.1,0.304922);(123.1,0.095719);(124.1,0.012992);(125.1,0.000795);(126.1,0.011667);(127.1,0.016439);(128.1,0.026515);(129.1,0.046136);(131.1,0.215832);(132.1,0.066818);(133.1,0.251362);(134.15,1.004916);(135.1,80.824402);(136.1,11.106839);(137.05,3.276715);(138.1,0.23943);(139.1,0.004242);(140.1,0.007954);(142.1,0.00875);(143.1,0.019621);(144.1,0.031288);(145.1,0.021742);(146.1,0.024394);(147.1,0.104469);(148.0,0.007689);(149.05,0.74613);(150.0,0.276816);(151.0,0.156438);(152.0,0.014583);(153.0,0.024394);(154.0,0.000795);(155.0,0.005038);(156.0,0.00053);(157.0,0.012992);(158.0,0.014583);(161.0,0.07106);(162.0,0.048522);(163.0,0.290073);(164.0,0.277346);(165.0,0.058863);(166.0,0.022803);(167.0,0.010871);(169.0,0.01803);(171.0,0.002917);(172.0,0.027045);(173.0,0.092802);(174.0,0.029166);(175.0,0.088825);(176.0,0.019621);(177.0,0.04481);(178.05,0.536397);(179.0,100.0);(180.05,14.44613);(181.05,4.974996);(181.95,0.363255);(183.0,0.041363);(184.0,0.020151);(185.0,0.026515);(186.0,0.018826);(187.0,0.022803);(188.0,0.007954);(189.0,0.021742);(190.0,0.016439);(191.0,0.00822);(192.0,0.028106);(193.05,2.185095);(194.0,9.356058);(195.0,1.477942);(196.05,0.447837);(197.0,0.035);(198.0,0.028106);(199.0,0.034204);(200.0,0.007689);(202.0,0.002121);(203.0,0.000795);(204.0,0.019356);(205.0,0.012992);(206.0,0.012462);(207.0,0.016704);(208.0,0.029962);(210.0,0.011136);(211.0,0.014318);(212.0,0.005038);(213.0,0.011136);(214.0,0.014583);(215.0,0.012197);(219.0,0.079545);(220.0,0.009015);(221.0,0.007954);(222.0,0.012462);(223.0,0.003712);(226.0,0.012462);(227.0,0.012197);(229.0,0.005833);(230.0,0.011667);(231.0,0.024394);(233.0,0.020682);(234.0,0.021477);(235.0,0.013257);(236.0,0.002917);(237.0,0.006364);(238.0,0.006364);(241.0,0.023863);(243.0,0.002917);(244.0,0.009015);(245.0,0.023598);(247.0,0.019621);(248.0,0.013788);(249.0,0.003447);(250.0,0.012992);(252.0,0.028636);(253.0,0.052765);(255.0,0.00875);(256.0,0.004242);(257.0,0.005038);(258.0,0.002121);(259.0,0.003447);(260.0,0.013788);(261.0,0.020682);(262.0,0.010341);(263.0,0.007689);(264.0,0.040568);(266.0,0.015909);(267.0,0.006364);(268.0,0.003712);(269.0,0.007159);(270.0,0.023598);(271.0,0.00875);(272.0,0.002651);(273.0,0.010341);(274.0,0.010871);(275.0,0.0175);(276.0,0.031288);(277.0,0.015379);(279.0,0.019356);(280.0,0.005833);(281.0,0.007159);(282.0,0.012462);(283.0,0.040038);(285.0,0.01856);(287.0,0.022803);(289.0,0.014318);(290.0,0.010871);(291.0,0.00822);(292.0,0.025189);(293.0,0.031553);(295.0,0.013257);(296.0,0.015909);(298.0,0.012462);(299.0,0.033674);(300.0,0.023863);(302.0,0.018826);(304.0,0.026515);(305.0,0.022803);(306.0,0.005833);(308.0,0.002121);(309.0,0.018826);(311.0,0.028636);(312.0,0.01803);(314.0,0.014318);(315.0,0.034469);(316.0,0.012197);(317.0,0.014583);(319.0,0.00822);(321.0,0.010341);(323.0,0.000795);(325.0,0.01856);(328.0,0.00822);(329.0,0.025985);(330.0,0.012197);(332.0,0.00053);(333.0,0.00053);(334.0,0.005568);(335.0,0.006894);(338.0,0.016704);(341.0,0.010871);(342.0,0.010341);(343.0,0.005568);(344.0,0.012462);(345.0,0.01803);(346.0,0.006364);(347.0,0.009545);(348.0,0.009015);(349.0,0.013788);(350.0,0.013257);(351.0,0.006894);(352.0,0.012992);(355.0,0.033409);(356.0,0.019356);(358.0,0.01803);(359.0,0.025985);(360.0,0.04428);(362.0,0.016704);(363.0,0.003447);(364.0,0.003712);(365.0,0.018826);(366.0,0.016704);(367.0,0.020947);(368.0,0.011667);(369.0,0.005833);(370.0,0.006364);(371.0,0.003447);(372.0,0.004773);(373.0,0.030757);(374.0,0.007954);(375.0,0.023598);(376.0,0.010341);(377.0,0.020151);(379.0,0.005833);(380.0,0.012462);(381.0,0.01856);(383.0,0.016439);(384.0,0.012992);(385.0,0.013257);(386.0,0.023068);(389.0,0.012992);(390.0,0.002917);(391.0,0.006364);(392.0,0.002917);(393.0,0.002121);(394.0,0.033674);(398.0,0.013788);(399.0,0.01803);(400.0,0.033674);(401.0,0.005568);(402.0,0.020151);(405.0,0.010076);(406.0,0.015114);(407.0,0.000795);(408.0,0.011136);(409.0,0.00053);(410.0,0.014318);(411.0,0.010871);(412.0,0.005038);(413.0,0.003712);(414.0,0.021742);(415.0,0.020682);(416.0,0.00053);(420.0,0.005833);(421.0,0.007954);(422.0,0.02731);(423.0,0.012197);(424.0,0.007954);(425.0,0.031288);(426.0,0.014583);(427.0,0.00875);(428.0,0.025719);(429.0,0.01803);(430.0,0.007954);(433.0,0.02731);(434.0,0.029166);(435.0,0.013257);(436.0,0.009015);(439.0,0.023598);(441.0,0.009545);(442.0,0.007689);(443.0,0.011136);(445.0,0.016439);(446.0,0.025985);(448.0,0.010871);(449.0,0.023863);(450.0,0.007689);(451.0,0.016704);(453.0,0.014318);(454.0,0.007689);(456.0,0.01856);(457.0,0.011667);(459.0,0.009545);(460.0,0.002651);(461.0,0.006364);(462.0,0.00875);(464.0,0.00875);(465.0,0.003447);(466.0,0.001326);(468.0,0.013257);(469.0,0.019621);(470.0,0.004773);(471.0,0.014318);(473.0,0.000795);(474.0,0.009545);(476.0,0.023863);(477.0,0.010341);(478.0,0.011136);(479.0,0.011136);(480.0,0.012462);(481.0,0.040568);(482.0,0.005038);(483.0,0.026515);(484.0,0.010341);(485.0,0.006364);(486.0,0.007954);(487.0,0.006894);(488.0,0.012462);(489.0,0.005833);(490.0,0.024394);(491.0,0.013257);(492.0,0.03553);(494.0,0.032083);(495.0,0.016439);(498.0,0.006894);(499.0,0.01856) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.3003);(89.0,0.4004);(90.0,0.900901);(91.0,1.501502);(92.0,0.4004);(93.0,0.600601);(94.0,0.1001);(95.0,0.3003);(96.0,0.1001);(103.0,0.500501);(104.0,1.001001);(105.0,100.0);(106.0,7.907908);(107.0,1.201201);(108.0,0.1001);(109.0,0.2002);(117.0,0.1001);(118.0,0.1001);(119.0,1.301301);(120.0,0.4004);(121.0,1.501502);(122.0,0.700701);(123.0,0.1001);(131.0,0.1001);(133.0,0.3003);(134.0,0.900901);(135.0,67.467467);(136.0,9.50951);(137.0,2.902903);(138.0,0.2002);(149.0,0.600601);(150.0,0.2002);(151.0,0.1001);(161.0,0.1001);(163.0,0.4004);(164.0,0.3003);(165.0,0.1001);(175.0,0.1001);(178.0,0.500501);(179.0,83.783784);(180.0,12.812813);(181.0,4.004004);(182.0,0.4004);(193.0,1.601602);(194.0,7.507508);(195.0,1.201201);(196.0,0.3003) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.016);(76.0,0.073);(77.0,0.869);(78.0,0.084);(79.0,0.075);(81.0,0.013);(83.0,0.011);(85.0,0.008);(89.0,0.027);(90.0,0.013);(91.0,0.018);(92.0,0.01);(93.0,0.012);(95.0,0.014);(103.0,0.021);(105.0,1.0);(106.0,0.076);(107.0,0.014);(109.0,0.007);(119.0,0.014);(120.0,0.01);(121.0,0.015);(122.0,0.01);(135.0,0.72);(136.0,0.101);(137.0,0.03);(138.0,0.005);(150.0,0.007);(163.0,0.006);(164.0,0.01);(179.0,0.93);(180.0,0.13);(181.0,0.04);(182.0,0.006);(193.0,0.022);(194.0,0.069);(195.0,0.012);(196.0,0.006) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.1001);(89.0,0.1001);(90.0,0.500501);(91.0,1.101101);(92.0,0.3003);(93.0,0.4004);(95.0,0.1001);(104.0,0.700701);(105.0,100.0);(106.0,6.806807);(107.0,0.900901);(109.0,0.1001);(118.0,0.1001);(119.0,0.700701);(121.0,0.600601);(122.0,0.700701);(134.0,0.3003);(135.0,61.461461);(136.0,8.008008);(137.0,2.002002);(149.0,0.4004);(156.0,0.1001);(179.0,64.964965);(180.0,8.708709);(181.0,2.402402);(182.0,0.3003);(193.0,0.900901);(194.0,3.803804);(195.0,0.600601);(422.0,0.1001) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (23.99945142,1.273589166);(25.00727602,1.739555345);(27.02292522,1.212328181);(29.03857442,0.9629837931);(38.01510062,0.8505710289);(39.02292522,3.852733423);(43.98927962,0.9991798039);(44.99710422,1.821173725);(47.99945142,1.06867521);(49.00727602,3.537406811);(50.01510062,1.654738392);(51.02292522,1.582393852);(53.03857442,1.408051041);(63.02292522,3.550039464);(67.98927962,1.689670528);(70.00492882,0.8532174952);(78.04639902,9.825793233);(82.00492882,0.9091110951);(91.98927962,1.122795222);(94.00492882,2.379314883);(95.01275342,1.475605528);(96.02057802,1.432316352);(97.02840262,1.342708569);(104.0256639,13.58993463);(105.0290455,1.078122268);(105.0334885,12.11321522);(106.0049288,1.542065296);(106.0368756,0.9627878127);(107.0127534,1.831150816);(122.0362272,20.68390704);(123.0396236,1.654864769) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (39.02292522,0.9291893735);(57.01550142,2.541465794);(63.02292522,1.076800324);(71.03115062,2.139877592);(72.03897522,1.244709528);(73.01041552,0.7570701096);(73.04679982,17.02168663);(74.04796012,1.456481661);(75.02606472,2.122746864);(78.04639902,2.561429207);(79.05422362,1.532842866);(89.04171392,3.480094158);(104.0256639,1.685150313);(105.0334885,20.99125264);(106.0368756,1.668435824);(122.0362272,2.972411125);(123.0440518,2.393452568);(166.0444526,0.7568486396);(178.0444526,0.9048094527);(179.0522772,6.920581414);(180.0544211,1.064244161);(193.0679264,1.197655103);(194.075751,2.897006036) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,1.202426096);(25.00727602,1.635627012);(27.02292522,1.268965342);(39.02292522,3.124435708);(44.99710422,1.719413819);(49.00727602,1.936050389);(50.01510062,1.176322249);(51.02292522,1.344757926);(63.02292522,3.37853897);(67.98927962,1.536060415);(78.04639902,9.276767194);(94.00492882,2.24636828);(95.01275342,1.393154591);(96.02057802,1.352284241);(97.02840262,1.267683383);(104.0256639,13.47806235);(105.0334885,8.33279579);(106.0049288,1.455900853);(107.0127534,1.74184135);(122.0362272,20.16682617);(123.0396236,1.613494494) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,1.202426096);(25.00727602,1.635627012);(27.02292522,1.268965342);(39.02292522,3.124435708);(44.99710422,1.719413819);(49.00727602,1.936050389);(50.01510062,1.176322249);(51.02292522,1.344757926);(63.02292522,3.37853897);(67.98927962,1.536060415);(78.04639902,9.276767194);(94.00492882,2.24636828);(95.01275342,1.393154591);(96.02057802,1.352284241);(97.02840262,1.267683383);(104.0256639,13.47806235);(105.0334885,8.33279579);(106.0049288,1.455900853);(107.0127534,1.74184135);(122.0362272,20.16682617);(123.0396236,1.613494494) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (77.106,100.0);(120.972,59.195) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (77.082,100.0);(120.246,3.468);(121.034,13.872) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (74.906,4.901);(75.756,7.194);(76.997,100.0);(77.527,6.295);(118.225,3.867);(119.13,7.644);(120.012,15.288);(121.05,36.511) | | LC-MS/MS | EI-B (HITACHI RMU-7) | Positive | Not Available | View Spectrum | (50.0,0.2002002002);(51.0,0.3303303303);(52.0,0.0600600601);(76.0,0.0900900901);(77.0,0.7207207207);(78.0,0.0800800801);(105.0,1.0);(106.0,0.0900900901);(121.0,0.1201201201);(122.0,0.8508508509);(123.0,0.1301301301) | | LC-MS/MS | EI-B (HITACHI RMU-6E) | Positive | Not Available | View Spectrum | (17.0,0.0560560561);(18.0,0.2772772773);(28.0,0.026026026);(37.0,0.021021021);(38.0,0.043043043);(38.5,0.019019019);(39.0,0.046046046);(45.0,0.002002002);(47.0,0.015015015);(50.0,0.1371371371);(51.0,0.2542542543);(52.0,0.004004004);(52.5,0.021021021);(65.0,0.019019019);(66.0,0.013013013);(73.0,0.001001001);(74.0,0.0520520521);(76.0,0.045045045);(77.0,0.6246246246);(78.0,0.006006006);(94.0,0.022022022);(105.0,1.0);(106.0,0.0760760761);(122.0,0.0880880881);(123.0,0.0710710711) | | LC-MS/MS | EI-B (HITACHI RMU-7M) | Positive | Not Available | View Spectrum | (27.0,0.032032032);(37.0,0.027027027);(38.0,0.041041041);(39.0,0.0650650651);(44.0,0.02002002);(45.0,0.022022022);(49.0,0.022022022);(50.0,0.1771771772);(51.0,0.3103103103);(52.0,0.0540540541);(53.0,0.016016016);(63.0,0.022022022);(65.0,0.043043043);(66.0,0.033033033);(73.0,0.022022022);(74.0,0.0780780781);(75.0,0.043043043);(76.0,0.0650650651);(77.0,0.8698698699);(78.0,0.0980980981);(91.0,0.027027027);(94.0,0.038038038);(104.0,0.022022022);(105.0,1.0);(106.0,0.0920920921);(120.0,0.0650650651);(121.0,0.0540540541);(122.0,0.6836836837);(123.0,0.0640640641) | | LC-MS/MS | EI-B (HITACHI M-80B) | Positive | Not Available | View Spectrum | (17.0,0.011011011);(26.0,0.012012012);(27.0,0.03003003);(37.0,0.027027027);(38.0,0.0550550551);(39.0,0.0810810811);(45.0,0.0610610611);(49.0,0.025025025);(50.0,0.2412412412);(51.0,0.4094094094);(52.0,0.0690690691);(53.0,0.015015015);(61.0,0.01001001);(62.0,0.011011011);(63.0,0.012012012);(65.0,0.022022022);(66.0,0.019019019);(73.0,0.019019019);(74.0,0.0910910911);(75.0,0.033033033);(76.0,0.0670670671);(77.0,0.7457457457);(78.0,0.0830830831);(94.0,0.028028028);(105.0,1.0);(106.0,0.0840840841);(122.0,0.8288288288);(123.0,0.0620620621) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.3,0.008008008);(77.0,0.028028028);(92.8,0.001001001);(121.1,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.1,0.033033033);(77.1,1.0);(92.8,0.0920920921);(105.9,0.005005005);(121.2,0.5755755756) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.3,0.0530530531);(77.0,1.0);(91.0,0.0620620621);(92.2,0.2392392392);(92.4,0.1771771772);(93.4,0.3983983984);(120.0,0.0710710711);(121.3,0.2482482482) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (58.7,0.1431431431);(64.9,0.1431431431);(76.5,0.1781781782);(92.2,1.0);(92.8,0.4284284284) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.3,0.847329);(77.0,2.784082);(92.8,0.105916);(121.1,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.1,3.290247);(77.1,100.0);(92.8,9.165687);(105.9,0.470035);(121.2,57.579318) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.3,5.309735);(77.0,100.0);(91.0,6.19469);(92.2,23.893805);(92.4,17.699115);(93.4,39.823009);(120.0,7.079646);(121.3,24.778761) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (58.7,14.285714);(64.9,14.285714);(76.5,17.857143);(92.2,100.0);(92.8,42.857143) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0345,4.14);(121.0295,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (121.0296,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (121.0295,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0348,4.13);(121.0295,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (121.0294,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.04095,100.0);(121.0326,19.26) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0331,2.81);(121.02822,100.0);(122.03159,4.77) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (74.0147,1.72);(77.0381,100.0);(79.0544,9.74);(81.0338,1.51);(95.049,35.98);(105.0439,11.33);(106.0413,1.27) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.0381,19.52);(79.0538,100.0);(95.0484,11.0);(105.0335,5.91);(106.0383,1.02) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03792,13.08);(77.04455,100.0);(95.05389,26.17) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (79.0537,100.0);(105.0331,2.16);(123.0434,12.68) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0347,12.96);(121.0295,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.0037,8.71);(65.0402,2.32);(91.02063,5.71);(92.02631,70.17);(93.03482,14.59);(120.02131,28.59);(121.0321,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0346,32.74);(121.0295,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (121.0304,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (44.99765427,0.0133027337);(51.0234751,0.1023392414);(53.03912516,0.0225291031);(55.01838972,0.001195343);(73.0289544,0.0101491537);(79.01838972,0.0128717804);(79.05477522,3.447801714);(95.01330434,0.0674824098);(97.0289544,0.0988497217);(105.0340398,23.22649571);(123.0446045,72.99698309) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (44.99765427,0.0429476933);(51.0234751,1.543123336);(53.03912516,0.3430125257);(55.01838972,0.0245855307);(73.0289544,0.0294227765);(79.01838972,0.0977163208);(79.05477522,11.05638215);(95.01330434,0.0918943073);(97.0289544,0.3856504487);(105.0340398,44.90348579);(123.0446045,41.48177911) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (44.99765427,0.3583261302);(51.0234751,33.70661599);(53.03912516,6.257511957);(55.01838972,0.1802825857);(73.0289544,0.3131147009);(79.01838972,1.110344726);(79.05477522,28.30925839);(95.01330434,0.8471346489);(97.0289544,1.176373614);(105.0340398,22.51087494);(123.0446045,5.230162308) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (25.00782503,0.0009687038);(49.00782503,0.0044615305);(51.0234751,0.0221504404);(53.00273965,0.0025137503);(68.99765427,0.0266385255);(71.01330434,0.0094929914);(77.00273965,0.002887386);(77.03912516,28.49808059);(92.99765427,0.0102290076);(95.01330434,0.119451262);(103.0183897,1.589393954);(121.0289544,69.71373186) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (25.00782503,0.0056356056);(49.00782503,0.1511797549);(51.0234751,0.2883120281);(53.00273965,0.0039971158);(68.99765427,0.021696831);(71.01330434,0.0084370687);(77.00273965,0.0120910276);(77.03912516,59.58223015);(92.99765427,0.0676854858);(95.01330434,0.1789940526);(103.0183897,2.027219204);(121.0289544,37.65252168) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00782503,0.22856099);(49.00782503,4.672912907);(51.0234751,7.453144649);(53.00273965,0.4819326442);(68.99765427,1.013526831);(71.01330434,0.098518747);(77.00273965,0.2767608492);(77.03912516,67.34431584);(92.99765427,0.2850879273);(95.01330434,0.8766010438);(103.0183897,9.092759012);(121.0289544,8.175878555) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (77.03858,48.44);(79.05423,95.15);(79.05423,95.15);(105.03349,71.01);(105.03349,71.01);(105.03349,71.01);(105.03349,71.01);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (77.03858,100.0);(79.05423,43.26);(79.05423,43.26);(105.03349,82.81);(105.03349,82.81);(105.03349,82.81);(105.03349,82.81) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.02293,100.0);(63.02293,17.36);(77.03858,89.86);(105.03349,14.8);(105.03349,14.8);(105.03349,14.8);(105.03349,14.8) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (77.03967,100.0);(77.03967,100.0);(121.0295,31.99);(121.0295,31.99);(121.0295,31.99);(121.0295,31.99) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (77.03967,100.0);(77.03967,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (77.03967,100.0);(77.03967,100.0) |
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