| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.009);(71.0,0.011);(72.0,0.033);(76.0,0.094);(77.0,0.072);(78.0,0.01);(79.0,0.017);(80.0,0.005);(81.0,0.011);(82.0,0.005);(83.0,0.02);(84.0,0.006);(85.0,0.027);(86.0,0.007);(87.0,0.021);(88.0,0.037);(89.0,0.099);(90.0,0.044);(91.0,0.078);(92.0,0.021);(93.0,0.017);(94.0,0.019);(95.0,0.014);(96.0,0.005);(97.0,0.018);(98.0,0.007);(99.0,0.022);(100.0,0.006);(101.0,0.068);(102.0,0.092);(103.0,0.059);(104.0,0.01);(105.0,0.051);(106.0,0.009);(107.0,0.014);(108.0,0.004);(109.0,0.013);(110.0,0.005);(111.0,0.005);(112.0,0.001);(113.0,0.009);(114.0,0.011);(115.0,0.199);(116.0,0.043);(117.0,0.063);(118.0,0.063);(119.0,0.037);(120.0,0.008);(121.0,0.023);(122.0,0.005);(123.0,0.007);(124.0,0.012);(125.0,0.017);(126.0,0.006);(127.0,0.02);(128.0,0.015);(129.0,0.068);(130.0,0.016);(131.0,0.063);(132.0,0.016);(133.0,0.11);(134.0,0.016);(135.0,0.086);(136.0,0.011);(137.0,0.007);(138.0,0.004);(139.0,0.176);(140.0,0.017);(141.0,0.049);(142.0,0.03);(143.0,0.03);(144.0,0.01);(145.0,0.081);(146.0,0.028);(150.0,0.011);(151.0,0.019);(152.0,0.003);(153.0,0.002);(154.0,0.001);(155.0,0.005);(156.0,0.001);(157.0,0.012);(158.0,0.005);(159.0,0.067);(160.0,0.016);(161.0,0.081);(162.0,0.013);(163.0,0.01);(164.0,0.007);(165.0,0.006);(166.0,0.009);(167.0,0.011);(168.0,0.002);(169.0,0.002);(170.0,0.006);(171.0,0.008);(172.0,0.004);(173.0,0.07);(174.0,0.019);(175.0,0.095);(176.0,0.022);(177.0,0.033);(178.0,0.007);(179.0,0.03);(180.0,0.034);(181.0,0.011);(182.0,0.003);(183.0,0.003);(184.0,0.003);(185.0,0.13);(186.0,0.032);(187.0,0.034);(188.0,0.009);(189.0,0.018);(190.0,0.025);(191.0,0.031);(192.0,0.026);(193.0,0.02);(194.0,0.005);(195.0,0.004);(196.0,0.002);(197.0,0.001);(198.0,0.001);(199.0,0.003);(200.0,0.001);(201.0,0.01);(202.0,0.008);(203.0,1.0);(204.0,0.18);(205.0,0.065);(206.0,0.011);(207.0,0.021);(208.0,0.005);(209.0,0.011);(210.0,0.003);(211.0,0.002);(212.0,0.001);(213.0,0.001);(214.0,0.001);(215.0,0.003);(216.0,0.007);(217.0,0.043);(218.0,0.015);(219.0,0.324);(220.0,0.076);(221.0,0.028);(222.0,0.005);(223.0,0.028);(224.0,0.008);(225.0,0.004);(226.0,0.001);(227.0,0.001);(228.0,0.0);(229.0,0.001);(230.0,0.001);(231.0,0.014);(232.0,0.006);(233.0,0.183);(234.0,0.049);(235.0,0.02);(236.0,0.009);(237.0,0.004);(238.0,0.002);(239.0,0.002);(240.0,0.002);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(245.0,0.004);(246.0,0.002);(247.0,0.01);(248.0,0.004);(249.0,0.412);(250.0,0.102);(251.0,0.041);(252.0,0.008);(253.0,0.002);(254.0,0.001);(255.0,0.001);(256.0,0.001);(257.0,0.001);(258.0,0.001);(259.0,0.009);(260.0,0.003);(261.0,0.002);(262.0,0.001);(263.0,0.003);(264.0,0.004);(265.0,0.007);(266.0,0.003);(267.0,0.002);(268.0,0.001);(269.0,0.001);(270.0,0.001);(271.0,0.001);(272.0,0.001);(273.0,0.002);(274.0,0.001);(275.0,0.009);(276.0,0.003);(277.0,0.017);(278.0,0.005);(279.0,0.002);(280.0,0.004);(281.0,0.002);(282.0,0.001);(283.0,0.001);(284.0,0.0);(285.0,0.0);(286.0,0.0);(287.0,0.0);(288.0,0.0);(289.0,0.0);(290.0,0.0);(291.0,0.002);(292.0,0.005);(293.0,0.511);(294.0,0.135);(295.0,0.054);(296.0,0.009);(297.0,0.002);(298.0,0.001);(299.0,0.001);(300.0,0.002);(301.0,0.002);(302.0,0.002);(303.0,0.002);(304.0,0.001);(305.0,0.001);(306.0,0.002);(307.0,0.057);(308.0,0.422);(309.0,0.113);(310.0,0.042);(311.0,0.008);(312.0,0.001);(313.0,0.0);(314.0,0.0);(315.0,0.0);(316.0,0.0);(318.0,0.0);(327.0,0.0);(328.0,0.0);(329.0,0.0);(330.0,0.0);(331.0,0.0);(332.0,0.0);(345.0,0.0);(346.0,0.0);(382.0,0.0);(580.0,0.0) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.009);(71.0,0.011);(72.0,0.033);(76.0,0.094);(77.0,0.072);(78.0,0.01);(79.0,0.017);(80.0,0.005);(81.0,0.011);(82.0,0.005);(83.0,0.02);(84.0,0.006);(85.0,0.027);(86.0,0.007);(87.0,0.021);(88.0,0.037);(89.0,0.099);(90.0,0.044);(91.0,0.078);(92.0,0.021);(93.0,0.017);(94.0,0.019);(95.0,0.014);(96.0,0.005);(97.0,0.018);(98.0,0.007);(99.0,0.022);(100.0,0.006);(101.0,0.068);(102.0,0.092);(103.0,0.059);(104.0,0.01);(105.0,0.051);(106.0,0.009);(107.0,0.014);(108.0,0.004);(109.0,0.013);(110.0,0.005);(111.0,0.005);(112.0,0.001);(113.0,0.009);(114.0,0.011);(115.0,0.199);(116.0,0.043);(117.0,0.063);(118.0,0.063);(119.0,0.037);(120.0,0.008);(121.0,0.023);(122.0,0.005);(123.0,0.007);(124.0,0.012);(125.0,0.017);(126.0,0.006);(127.0,0.02);(128.0,0.015);(129.0,0.068);(130.0,0.016);(131.0,0.063);(132.0,0.016);(133.0,0.11);(134.0,0.016);(135.0,0.086);(136.0,0.011);(137.0,0.007);(138.0,0.004);(139.0,0.176);(140.0,0.017);(141.0,0.049);(142.0,0.03);(143.0,0.03);(144.0,0.01);(145.0,0.081);(146.0,0.028);(150.0,0.011);(151.0,0.019);(152.0,0.003);(153.0,0.002);(154.0,0.001);(155.0,0.005);(156.0,0.001);(157.0,0.012);(158.0,0.005);(159.0,0.067);(160.0,0.016);(161.0,0.081);(162.0,0.013);(163.0,0.01);(164.0,0.007);(165.0,0.006);(166.0,0.009);(167.0,0.011);(168.0,0.002);(169.0,0.002);(170.0,0.006);(171.0,0.008);(172.0,0.004);(173.0,0.07);(174.0,0.019);(175.0,0.095);(176.0,0.022);(177.0,0.033);(178.0,0.007);(179.0,0.03);(180.0,0.034);(181.0,0.011);(182.0,0.003);(183.0,0.003);(184.0,0.003);(185.0,0.13);(186.0,0.032);(187.0,0.034);(188.0,0.009);(189.0,0.018);(190.0,0.025);(191.0,0.031);(192.0,0.026);(193.0,0.02);(194.0,0.005);(195.0,0.004);(196.0,0.002);(197.0,0.001);(198.0,0.001);(199.0,0.003);(200.0,0.001);(201.0,0.01);(202.0,0.008);(203.0,1.0);(204.0,0.18);(205.0,0.065);(206.0,0.011);(207.0,0.021);(208.0,0.005);(209.0,0.011);(210.0,0.003);(211.0,0.002);(212.0,0.001);(213.0,0.001);(214.0,0.001);(215.0,0.003);(216.0,0.007);(217.0,0.043);(218.0,0.015);(219.0,0.324);(220.0,0.076);(221.0,0.028);(222.0,0.005);(223.0,0.028);(224.0,0.008);(225.0,0.004);(226.0,0.001);(227.0,0.001);(228.0,0.0);(229.0,0.001);(230.0,0.001);(231.0,0.014);(232.0,0.006);(233.0,0.183);(234.0,0.049);(235.0,0.02);(236.0,0.009);(237.0,0.004);(238.0,0.002);(239.0,0.002);(240.0,0.002);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(245.0,0.004);(246.0,0.002);(247.0,0.01);(248.0,0.004);(249.0,0.412);(250.0,0.102);(251.0,0.041);(252.0,0.008);(253.0,0.002);(254.0,0.001);(255.0,0.001);(256.0,0.001);(257.0,0.001);(258.0,0.001);(259.0,0.009);(260.0,0.003);(261.0,0.002);(262.0,0.001);(263.0,0.003);(264.0,0.004);(265.0,0.007);(266.0,0.003);(267.0,0.002);(268.0,0.001);(269.0,0.001);(270.0,0.001);(271.0,0.001);(272.0,0.001);(273.0,0.002);(274.0,0.001);(275.0,0.009);(276.0,0.003);(277.0,0.017);(278.0,0.005);(279.0,0.002);(280.0,0.004);(281.0,0.002);(282.0,0.001);(283.0,0.001);(284.0,0.0);(285.0,0.0);(286.0,0.0);(287.0,0.0);(288.0,0.0);(289.0,0.0);(290.0,0.0);(291.0,0.002);(292.0,0.005);(293.0,0.511);(294.0,0.135);(295.0,0.054);(296.0,0.009);(297.0,0.002);(298.0,0.001);(299.0,0.001);(300.0,0.002);(301.0,0.002);(302.0,0.002);(303.0,0.002);(304.0,0.001);(305.0,0.001);(306.0,0.002);(307.0,0.057);(308.0,0.422);(309.0,0.113);(310.0,0.042);(311.0,0.008);(312.0,0.001);(313.0,0.0);(314.0,0.0);(315.0,0.0);(316.0,0.0);(318.0,0.0);(327.0,0.0);(328.0,0.0);(329.0,0.0);(330.0,0.0);(331.0,0.0);(332.0,0.0);(345.0,0.0);(346.0,0.0);(382.0,0.0);(580.0,0.0) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,3.203203);(86.0,0.1001);(87.0,2.502503);(88.0,5.505506);(89.0,16.516517);(90.0,6.906907);(91.0,11.211211);(92.0,3.703704);(93.0,3.703704);(94.0,1.601602);(95.0,1.601602);(97.0,1.601602);(99.0,1.601602);(100.0,0.500501);(101.0,10.01001);(102.0,10.510511);(103.0,7.107107);(104.0,1.801802);(105.0,7.507508);(106.0,0.4004);(107.0,0.800801);(109.0,0.600601);(110.0,0.1001);(111.0,0.1001);(114.0,0.800801);(115.0,25.525526);(116.0,4.004004);(117.0,7.107107);(118.0,7.607608);(119.0,4.404404);(120.0,0.2002);(121.0,2.202202);(122.0,0.2002);(123.0,0.4004);(124.0,0.700701);(125.0,0.800801);(127.0,2.102102);(128.0,1.901902);(129.0,7.607608);(130.0,1.201201);(131.0,6.706707);(132.0,1.101101);(133.0,11.811812);(134.0,0.3003);(135.0,8.608609);(136.0,0.4004);(137.0,0.600601);(139.0,17.517518);(140.0,0.2002);(141.0,5.405405);(142.0,2.702703);(143.0,2.102102);(144.0,0.1001);(145.0,8.208208);(146.0,2.402402);(147.0,23.723724);(148.0,5.305305);(149.0,14.014014);(150.0,2.802803);(151.0,1.601602);(155.0,0.500501);(157.0,0.800801);(159.0,5.905906);(160.0,2.002002);(161.0,7.007007);(162.0,0.500501);(163.0,0.500501);(164.0,0.800801);(165.0,0.4004);(166.0,1.001001);(167.0,0.500501);(171.0,0.700701);(172.0,0.3003);(173.0,6.206206);(174.0,2.002002);(175.0,8.608609);(176.0,0.800801);(177.0,2.002002);(179.0,2.802803);(180.0,1.601602);(181.0,0.3003);(182.0,0.2002);(183.0,0.4004);(185.0,13.813814);(186.0,2.702703);(187.0,4.504505);(188.0,1.201201);(189.0,1.301301);(190.0,2.402402);(191.0,2.602603);(192.0,2.502503);(193.0,1.901902);(194.0,0.1001);(199.0,0.500501);(203.0,100.0);(204.0,17.217217);(205.0,6.406406);(206.0,0.4004);(207.0,0.800801);(208.0,0.4004);(209.0,0.600601);(210.0,0.3003);(216.0,0.2002);(217.0,3.703704);(218.0,1.101101);(219.0,25.525526);(220.0,6.906907);(221.0,1.701702);(222.0,0.2002);(223.0,1.001001);(224.0,0.500501);(226.0,0.1001);(227.0,0.1001);(230.0,0.1001);(231.0,0.2002);(232.0,0.1001);(233.0,15.615616);(234.0,4.304304);(235.0,1.601602);(236.0,0.1001);(237.0,0.500501);(238.0,0.500501);(240.0,0.700701);(241.0,0.500501);(243.0,0.1001);(245.0,0.2002);(246.0,0.3003);(247.0,0.800801);(248.0,0.4004);(249.0,33.533534);(250.0,9.109109);(251.0,1.901902);(252.0,0.3003);(258.0,0.2002);(259.0,0.500501);(260.0,0.2002);(262.0,0.500501);(264.0,0.900901);(265.0,0.900901);(266.0,0.500501);(267.0,0.500501);(270.0,0.1001);(271.0,0.3003);(273.0,0.2002);(274.0,0.3003);(276.0,0.3003);(277.0,0.4004);(279.0,0.3003);(280.0,0.600601);(286.0,0.1001);(287.0,0.4004);(289.0,0.1001);(290.0,0.2002);(291.0,0.700701);(292.0,0.500501);(293.0,43.743744);(294.0,11.711712);(295.0,4.704705);(296.0,0.700701);(297.0,0.500501);(300.0,0.4004);(305.0,0.3003);(307.0,3.703704);(308.0,28.928929);(309.0,8.708709);(310.0,3.103103);(314.0,0.4004);(315.0,0.1001);(319.0,0.600601);(323.0,0.2002);(326.0,0.1001);(327.0,0.3003);(328.0,0.1001);(333.0,0.2002);(335.0,0.1001);(336.0,0.2002);(342.0,0.3003);(343.0,0.3003);(345.0,0.2002);(349.0,0.4004);(353.0,0.4004);(360.0,0.3003);(361.0,0.4004);(363.0,0.2002);(367.0,0.1001);(368.0,0.1001);(376.0,0.3003);(380.0,0.3003);(384.0,0.2002);(385.0,0.2002);(388.0,0.1001);(390.0,0.2002);(394.0,0.3003);(395.0,0.1001);(398.0,0.1001);(399.0,0.500501);(400.0,0.4004);(404.0,0.2002);(405.0,0.1001);(408.0,0.500501);(409.0,0.3003);(410.0,0.2002);(417.0,0.2002);(422.0,0.1001);(423.0,0.1001);(424.0,0.3003);(425.0,0.1001);(428.0,0.4004);(429.0,0.3003);(430.0,0.1001);(433.0,0.2002);(436.0,0.1001);(442.0,0.4004);(444.0,0.500501);(446.0,0.500501);(447.0,0.2002);(450.0,0.3003);(452.0,0.1001);(453.0,0.1001);(461.0,0.2002);(467.0,0.2002);(468.0,0.500501);(469.0,0.2002);(472.0,0.1001);(478.0,0.1001);(479.0,0.500501);(480.0,0.3003);(482.0,0.2002);(486.0,0.1001);(487.0,0.1001);(490.0,0.2002);(492.0,0.2002);(496.0,0.1001);(498.0,0.3003);(499.0,0.1001) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.248173538);(29.00219012,1.00756193);(39.02292522,1.309042748);(43.98927962,2.101561926);(44.99710422,4.378886045);(46.00492882,1.065454397);(89.03857442,2.893127267);(91.05422362,2.08632701);(94.04131312,2.02107882);(95.04913772,1.158402502);(116.0256639,3.680743615);(117.0334885,5.102195645);(118.0049288,1.023210563);(118.0413131,11.74691397);(119.0127534,1.112139857);(119.044701,1.066929576);(119.0491377,6.130229315);(120.020578,1.418294473);(120.0569623,8.899359719);(122.0362272,1.008486839);(133.0284026,1.012815333);(134.0362272,1.290465336);(135.0440518,1.841474027);(136.0518764,1.436135987);(146.0362272,7.082293178);(147.0440518,6.09827798);(148.0154921,1.274568702);(149.0233167,2.171275471);(163.0389659,3.021248146);(164.0467905,12.97589841);(165.0501894,1.337427673) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.691822485);(71.03115062,1.031576038);(73.04679982,10.46653839);(74.04796012,0.8955822975);(74.05462442,1.176190506);(75.02606472,2.716700638);(75.06244902,0.913035627);(89.04171392,2.136304845);(90.04953852,0.784550922);(169.0679264,0.8262549287);(175.0573631,1.556841468);(177.0730123,1.74395545);(189.0730123,1.194279386);(191.0522772,1.214917388);(191.0886615,4.121784272);(193.1043107,1.111651948);(195.0835756,0.8697252486);(205.0679264,0.8860477603);(207.0835756,2.078564396);(218.075751,0.9234550361);(219.0835756,6.630616389);(220.0859492,1.246300127);(221.0628405,2.319443839);(234.0706651,0.9499351942);(235.0784897,3.176784482);(236.0863143,1.610931329);(237.0941389,1.759652262);(292.0945397,1.226573092);(293.1023643,5.931700561);(294.1042961,1.55563939);(308.1258381,1.003348322) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (39.02292522,0.8878287727);(43.98927962,1.425337063);(44.99710422,2.969880877);(46.00492882,0.7226204578);(89.03857442,0.6847364075);(91.05422362,0.7609804271);(94.04131312,1.370751208);(95.04913772,0.7856604177);(116.0256639,3.206093359);(117.0334885,6.270922508);(118.0049288,0.6939695283);(118.0413131,9.126639748);(119.0127534,0.8649256034);(119.044701,0.828939575);(119.0491377,8.063196822);(120.020578,0.9619262956);(120.0525304,0.7335605734);(120.0569623,5.752806252);(122.0362272,0.683983494);(133.0284026,0.6839902623);(134.0362272,0.8752290613);(135.0440518,1.238787514);(136.0518764,0.974026901);(146.0362272,6.172843162);(147.0440518,2.856919837);(148.0154921,0.8644475272);(149.0233167,1.472618705);(162.0311413,2.03578418);(163.0389659,1.18972933);(164.0467905,8.543065126);(165.0501894,0.8805349228) | | LC-MS/MS | Quattro_QQQ | Negative | low | View Spectrum | (119.203,97.59);(163.111,100.0) | | LC-MS/MS | Quattro_QQQ | Negative | med | View Spectrum | (65.43,3.89);(91.337,30.07);(93.255,18.706);(117.238,4.196);(119.196,100.0) | | LC-MS/MS | Quattro_QQQ | Negative | high | View Spectrum | (41.628,13.47);(51.529,14.978);(65.414,62.5);(89.303,22.091);(91.361,94.828);(93.201,100.0);(117.199,29.741);(119.18,88.362) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (145.8744,0.4694694695);(162.8748,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (145.8822,1.0);(162.885,0.0820820821) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (145.8744,46.967108);(162.8748,100.0) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (145.8822,100.0);(162.885,8.184639) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (92.05431,13.7);(95.09007,8.5);(119.05064,10.1);(147.04257,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02064,2.2);(41.03578,1.5);(51.01943,2.9);(63.01948,1.8);(65.03605,100.0);(75.02066,2.6);(77.03517,4.6);(90.04392,2.0);(91.05138,56.8);(95.04519,2.8);(101.036,1.8) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (145.8822,100.0);(162.885,8.18) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.04755,18.6);(91.05538,100.0);(119.04813,20.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.05389,100.0);(92.05788,35.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (51.02007,1.5);(65.03607,12.9);(77.03515,1.6);(91.05163,100.0);(119.04617,66.3);(147.04012,24.2) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (65.03546,1.6);(91.05107,11.4);(119.04611,28.5);(147.04128,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (126.94891,5.2);(139.04433,3.1);(147.04402,100.0);(148.04417,8.7);(165.05687,3.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.00317,1.38);(65.04151,2.59);(91.0567,8.49);(93.03471,16.64);(104.03227,1.08);(117.03677,24.36);(119.05723,100.0);(163.04208,3.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (119.04749,9.5);(126.94852,5.6);(147.0442,100.0);(163.03006,4.3);(165.06229,9.7) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.03287,10.51);(119.04996,68.97);(119.97075,24.62);(125.96684,18.12);(147.04132,100.0);(148.04152,34.53) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (75.0193,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (91.04798,1.4);(119.04328,100.0);(163.03172,38.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (40.99885,42.9);(49.00316,1.6);(51.01891,13.4);(63.02019,3.3);(65.03441,64.3);(75.01802,3.8);(89.03276,33.7);(91.04877,100.0);(92.01989,15.2);(93.02808,96.7);(117.0284,40.7);(119.0429,63.5);(119.66319,1.2);(120.71087,1.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (91.05623,100.0);(119.04564,76.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (119.04384,11.0);(125.96028,9.9);(147.04205,100.0);(148.05238,13.7) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.03374,1.4);(91.04865,7.6);(93.03035,3.7);(117.02755,1.2);(119.04327,100.0);(163.03247,2.1) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (91.05034,1.3);(119.04373,100.0);(163.03131,45.3) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (91.05019,8.4);(93.02954,3.0);(119.04375,100.0);(163.03249,2.4) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (39.02104,6.3);(41.00074,12.2);(49.00522,1.9);(51.02111,15.7);(63.02023,3.3);(65.03571,66.3);(67.01511,6.0);(75.01888,3.3);(77.03402,1.5);(89.03473,20.8);(91.05035,100.0);(92.02131,7.9);(93.02887,97.7);(101.0346,1.2);(104.02118,3.5);(117.02763,31.9);(119.04335,79.2) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.03287,10.5);(119.04996,69.0);(119.97075,24.6);(125.96684,18.1);(147.04132,100.0);(148.04152,34.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.04881,4.9);(119.04203,5.9);(147.04507,100.0);(148.04926,34.5);(164.04478,6.8);(165.05508,9.7) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.1933298419);(27.0234751,0.0633246495);(41.03912516,0.0867850164);(44.99765427,0.1050005496);(55.01838972,0.0566523266);(67.01838972,0.06680797);(69.03403978,0.0952453545);(71.01330434,1.428085144);(77.03912516,0.0348116015);(79.01838972,0.0443376661);(81.03403978,0.0185703731);(95.01330434,0.0766722419);(95.04968984,0.5930349387);(97.0289544,0.0671546949);(103.0183897,0.0597180512);(103.0547752,0.0371326006);(105.0340398,0.0765941982);(111.0446045,0.0679880517);(119.0133043,0.0819034658);(119.0496898,10.25816038);(121.0289544,0.1750912771);(121.0653399,1.017731039);(123.0446045,0.1427597951);(125.023869,0.0566523266);(131.0133043,0.1534011068);(135.0446045,0.3322667781);(137.023869,0.1150397387);(139.0395191,0.0794864447);(147.0446045,38.22161795);(149.023869,0.3034300726);(165.0551691,45.89121435) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.2295882287);(41.03912516,0.486207555);(43.05477522,0.2913105516);(51.0234751,0.6830886113);(69.03403978,0.2052824329);(71.01330434,4.235833618);(75.0234751,0.2818106918);(77.03912516,2.12879546);(79.01838972,0.4965485695);(81.03403978,0.2854810311);(91.05477522,0.2238494373);(95.01330434,0.5705117432);(95.04968984,0.8969706855);(97.0289544,0.4795928895);(99.04460446,0.427756303);(103.0183897,0.5082817275);(103.0547752,0.3548814294);(105.0340398,1.202146635);(111.0446045,0.2579951675);(119.0133043,0.5829769757);(119.0496898,32.02914377);(121.0289544,1.546783576);(121.0653399,2.555781464);(123.0446045,1.332924617);(131.0133043,0.3769677226);(135.0446045,0.9559512402);(137.023869,0.2615389896);(139.0395191,0.1710701377);(147.0446045,29.23941113);(149.023869,0.2634739253);(165.0551691,16.43804369) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,3.814589341);(41.03912516,2.078390446);(44.99765427,1.355237598);(51.0234751,3.875249259);(53.03912516,0.8697782418);(65.03912516,2.192125059);(67.01838972,0.5722568614);(69.03403978,0.996124888);(71.01330434,6.7135369);(75.0234751,6.261445409);(77.03912516,14.82980912);(79.01838972,0.6928572319);(79.05477522,0.4728232272);(91.05477522,3.543454679);(93.03403978,1.696985496);(95.01330434,2.468985335);(95.04968984,1.198101072);(103.0183897,3.661483263);(103.0547752,5.40708488);(105.0340398,3.658723699);(119.0133043,1.950300826);(119.0496898,19.03236313);(121.0289544,1.593491188);(121.0653399,2.151889216);(123.0446045,0.7217526578);(131.0133043,0.5040337916);(135.0446045,0.9272458231);(139.0395191,0.4792696472);(147.0446045,5.203095269);(149.023869,0.3979323987);(165.0551691,0.6795840491) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.1306047911);(39.0234751,0.0200440409);(41.00273965,0.0667612397);(41.03912516,0.0030415722);(44.99765427,0.1644352394);(65.03912516,0.0014952859);(67.01838972,0.0827140367);(68.99765427,0.0223296257);(75.0234751,0.0082341391);(77.00273965,0.0019851944);(77.03912516,0.0151428728);(89.03912516,0.0113571221);(92.99765427,0.0059663828);(93.03403978,0.1661509565);(95.01330434,0.0340549005);(101.0391252,0.3116504444);(103.0183897,0.0023865501);(109.0289544,0.0175410837);(116.9976543,0.0060948562);(117.0340398,0.8438315393);(119.0133043,0.0373846669);(119.0496898,13.305534);(120.9925689,0.0028455026);(121.0289544,0.0688447353);(128.9976543,0.0009998672);(133.0289544,0.148701294);(135.008219,0.0294530506);(137.023869,0.1618957438);(145.0289544,4.571338843);(147.008219,0.0817237167);(163.0395191,79.6754567) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.0935832045);(39.0234751,0.1366182654);(41.00273965,0.0662386846);(41.03912516,0.0282927333);(44.99765427,1.328243915);(65.03912516,0.0199719073);(67.01838972,0.1294755025);(68.99765427,0.0981217533);(73.00782503,0.0896344937);(75.0234751,0.1775492904);(77.00273965,0.0190810182);(77.03912516,0.3942891018);(89.03912516,0.2254188021);(92.99765427,0.0290025325);(93.03403978,0.5900114092);(95.01330434,0.1085879051);(101.0391252,1.473488813);(103.0183897,0.0564730841);(109.0289544,0.0992391597);(116.9976543,0.1436386117);(117.0340398,3.355248425);(119.0133043,0.5435927846);(119.0496898,26.14085505);(120.9925689,0.0126222142);(121.0289544,0.8118712838);(133.0289544,0.4230647965);(135.008219,0.2771734853);(137.023869,0.3759266507);(145.0289544,8.708952782);(147.008219,0.4448121578);(163.0395191,53.59892018) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.0234751,0.9541053147);(41.00273965,1.629444979);(41.03912516,0.5467472673);(44.99765427,8.72309783);(63.0234751,0.432590959);(67.01838972,1.625787473);(68.99765427,1.239909715);(73.00782503,0.5642454569);(75.0234751,1.785201198);(77.00273965,0.4786606384);(77.03912516,1.906045516);(79.01838972,0.3803043009);(89.03912516,2.78464543);(93.03403978,5.327285526);(95.01330434,0.3007284);(101.0027397,0.3309815568);(101.0391252,5.047681067);(103.0183897,2.465353707);(116.9976543,0.5122758449);(117.0340398,8.982841501);(119.0133043,2.844105011);(119.0496898,14.64904771);(120.9925689,0.3848050181);(121.0289544,1.91728635);(128.9976543,0.4414519886);(133.0289544,1.629569624);(135.008219,0.746330281);(137.023869,0.9289431976);(145.0289544,24.21661566);(147.008219,1.196592428);(163.0395191,5.027319049) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (117.03349,12.78);(117.03349,12.78);(117.03349,12.78);(117.03349,12.78);(117.03349,12.78);(117.03349,12.78);(117.03349,12.78);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(119.04914,62.2);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(165.05462,11.2);(165.05462,11.2);(165.05462,11.2);(165.05462,11.2);(165.05462,11.2);(165.05462,11.2);(165.05462,11.2) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (91.05423,5.13);(101.03858,13.13);(117.03349,3.81);(117.03349,3.81);(117.03349,3.81);(117.03349,3.81);(117.03349,3.81);(117.03349,3.81);(117.03349,3.81);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(129.03349,4.59);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5);(147.04406,40.5) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (65.03858,32.11);(65.03858,32.11);(75.02293,57.82);(75.02293,57.82);(77.03858,86.78);(77.03858,86.78);(89.03858,39.52);(91.05423,64.61);(101.03858,85.69);(103.05423,26.74);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(129.03349,63.31) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(163.04007,21.98);(163.04007,21.98);(163.04007,21.98);(163.04007,21.98);(163.04007,21.98) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,7.48);(49.00837,9.52);(51.02402,9.74);(65.00329,11.56);(65.03967,7.17);(91.05532,16.75);(117.03459,10.68);(117.03459,10.68);(117.03459,10.68);(117.03459,10.68);(117.03459,10.68);(117.03459,10.68);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,9.56);(65.03967,7.75);(91.05532,14.12);(93.03459,16.18);(93.03459,16.18);(93.03459,16.18);(101.03967,12.32);(117.03459,100.0);(117.03459,100.0);(117.03459,100.0);(117.03459,100.0);(117.03459,100.0);(117.03459,100.0);(119.05024,82.95);(119.05024,82.95);(119.05024,82.95);(119.05024,82.95);(119.05024,82.95);(119.05024,82.95);(119.05024,82.95) |
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