| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.005);(71.0,0.005);(72.0,0.024);(76.0,0.016);(77.0,0.03);(78.0,0.006);(79.0,0.005);(80.0,0.0);(81.0,0.001);(82.0,0.015);(83.0,0.007);(84.0,0.002);(85.0,0.005);(86.0,0.001);(87.0,0.005);(88.0,0.004);(89.0,0.012);(90.0,0.004);(91.0,0.026);(92.0,0.003);(93.0,0.004);(94.0,0.001);(95.0,0.006);(96.0,0.001);(97.0,0.003);(98.0,0.0);(99.0,0.009);(100.0,0.001);(101.0,0.006);(102.0,0.004);(103.0,0.017);(104.0,0.009);(105.0,0.026);(106.0,0.003);(107.0,0.004);(108.0,0.001);(109.0,0.003);(110.0,0.001);(111.0,0.001);(112.0,0.0);(113.0,0.001);(114.0,0.001);(115.0,0.023);(116.0,0.015);(117.0,0.024);(118.0,0.006);(119.0,0.021);(120.0,0.003);(121.0,0.006);(122.0,0.001);(123.0,0.003);(124.0,0.0);(125.0,0.001);(126.0,0.0);(127.0,0.001);(128.0,0.002);(129.0,0.006);(130.0,0.001);(131.0,0.025);(132.0,0.004);(133.0,0.042);(134.0,0.007);(135.0,0.014);(136.0,0.006);(137.0,0.006);(138.0,0.001);(139.0,0.001);(140.0,0.0);(141.0,0.001);(142.0,0.0);(143.0,0.003);(144.0,0.001);(145.0,0.005);(146.0,0.001);(150.0,0.013);(151.0,0.016);(152.0,0.002);(153.0,0.002);(154.0,0.0);(155.0,0.001);(156.0,0.0);(157.0,0.001);(158.0,0.0);(159.0,0.002);(160.0,0.002);(161.0,0.014);(162.0,0.015);(163.0,0.017);(164.0,0.005);(165.0,0.006);(166.0,0.004);(167.0,0.002);(168.0,0.001);(169.0,0.001);(170.0,0.0);(171.0,0.0);(172.0,0.0);(173.0,0.001);(174.0,0.001);(175.0,0.004);(176.0,0.001);(177.0,0.023);(178.0,0.012);(179.0,1.0);(180.0,0.168);(181.0,0.055);(182.0,0.006);(183.0,0.001);(184.0,0.001);(185.0,0.001);(186.0,0.0);(187.0,0.001);(188.0,0.0);(189.0,0.003);(190.0,0.002);(191.0,0.011);(192.0,0.051);(193.0,0.067);(194.0,0.013);(195.0,0.007);(196.0,0.001);(197.0,0.001);(198.0,0.0);(199.0,0.0);(200.0,0.0);(201.0,0.0);(202.0,0.0);(203.0,0.004);(204.0,0.001);(205.0,0.006);(206.0,0.002);(207.0,0.01);(208.0,0.002);(209.0,0.006);(210.0,0.001);(211.0,0.001);(212.0,0.0);(213.0,0.0);(214.0,0.0);(215.0,0.0);(216.0,0.0);(217.0,0.001);(218.0,0.001);(219.0,0.006);(220.0,0.002);(221.0,0.01);(222.0,0.002);(223.0,0.01);(224.0,0.002);(225.0,0.001);(226.0,0.0);(227.0,0.0);(228.0,0.0);(229.0,0.0);(230.0,0.0);(231.0,0.0);(232.0,0.0);(233.0,0.002);(234.0,0.001);(235.0,0.003);(236.0,0.001);(237.0,0.005);(238.0,0.001);(239.0,0.001);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(244.0,0.0);(245.0,0.0);(246.0,0.0);(247.0,0.0);(248.0,0.0);(249.0,0.001);(250.0,0.001);(251.0,0.004);(252.0,0.001);(253.0,0.001);(254.0,0.001);(255.0,0.0);(256.0,0.0);(257.0,0.0);(258.0,0.0);(259.0,0.0);(260.0,0.0);(261.0,0.0);(262.0,0.0);(263.0,0.001);(264.0,0.001);(265.0,0.025);(266.0,0.008);(267.0,0.18);(268.0,0.048);(269.0,0.02);(270.0,0.004);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.001);(276.0,0.0);(277.0,0.001);(278.0,0.0);(279.0,0.001);(280.0,0.118);(281.0,0.039);(282.0,0.015);(283.0,0.003);(284.0,0.001);(285.0,0.0);(286.0,0.0);(287.0,0.0);(288.0,0.0);(289.0,0.0);(290.0,0.0);(291.0,0.001);(292.0,0.001);(293.0,0.003);(294.0,0.001);(295.0,0.006);(296.0,0.001);(297.0,0.001);(298.0,0.0);(299.0,0.0);(300.0,0.0);(301.0,0.0);(302.0,0.0);(303.0,0.0);(304.0,0.0);(305.0,0.0);(306.0,0.0);(307.0,0.001);(308.0,0.001);(309.0,0.001);(310.0,0.002);(311.0,0.001);(312.0,0.0);(313.0,0.0);(314.0,0.0);(315.0,0.0);(316.0,0.0);(317.0,0.0);(318.0,0.0);(319.0,0.0);(320.0,0.0);(321.0,0.0);(322.0,0.0);(323.0,0.0);(324.0,0.0);(325.0,0.001);(326.0,0.001);(327.0,0.0);(328.0,0.0);(329.0,0.0);(330.0,0.0);(331.0,0.0);(332.0,0.0);(333.0,0.0);(334.0,0.0);(335.0,0.0);(336.0,0.0);(337.0,0.0);(338.0,0.0);(339.0,0.0);(340.0,0.0);(341.0,0.0);(342.0,0.0);(343.0,0.0);(344.0,0.0);(345.0,0.0);(346.0,0.0);(347.0,0.0);(348.0,0.0);(349.0,0.0);(350.0,0.0);(351.0,0.0);(352.0,0.0);(353.0,0.0);(355.0,0.0);(356.0,0.0);(357.0,0.0);(358.0,0.0);(359.0,0.0);(360.0,0.0);(361.0,0.0);(362.0,0.0);(363.0,0.0);(364.0,0.0);(365.0,0.0);(366.0,0.0);(367.0,0.0);(368.0,0.0);(369.0,0.0);(370.0,0.0);(379.0,0.0);(380.0,0.0);(381.0,0.0);(382.0,0.0);(383.0,0.012);(384.0,0.008);(385.0,0.004);(386.0,0.001);(387.0,0.0);(388.0,0.0);(389.0,0.0);(390.0,0.0);(391.0,0.0);(392.0,0.0);(393.0,0.0);(394.0,0.0);(395.0,0.0);(396.0,0.001);(397.0,0.007);(398.0,0.123);(399.0,0.051);(400.0,0.025);(401.0,0.006);(402.0,0.001);(403.0,0.0);(404.0,0.0);(405.0,0.0);(406.0,0.0);(407.0,0.0);(408.0,0.0);(409.0,0.0);(410.0,0.0);(420.0,0.0);(421.0,0.0);(422.0,0.0);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.0);(440.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(460.0,0.0);(462.0,0.0);(464.0,0.0) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.005);(71.0,0.005);(72.0,0.024);(76.0,0.016);(77.0,0.03);(78.0,0.006);(79.0,0.005);(80.0,0.0);(81.0,0.001);(82.0,0.015);(83.0,0.007);(84.0,0.002);(85.0,0.005);(86.0,0.001);(87.0,0.005);(88.0,0.004);(89.0,0.012);(90.0,0.004);(91.0,0.026);(92.0,0.003);(93.0,0.004);(94.0,0.001);(95.0,0.006);(96.0,0.001);(97.0,0.003);(98.0,0.0);(99.0,0.009);(100.0,0.001);(101.0,0.006);(102.0,0.004);(103.0,0.017);(104.0,0.009);(105.0,0.026);(106.0,0.003);(107.0,0.004);(108.0,0.001);(109.0,0.003);(110.0,0.001);(111.0,0.001);(112.0,0.0);(113.0,0.001);(114.0,0.001);(115.0,0.023);(116.0,0.015);(117.0,0.024);(118.0,0.006);(119.0,0.021);(120.0,0.003);(121.0,0.006);(122.0,0.001);(123.0,0.003);(124.0,0.0);(125.0,0.001);(126.0,0.0);(127.0,0.001);(128.0,0.002);(129.0,0.006);(130.0,0.001);(131.0,0.025);(132.0,0.004);(133.0,0.042);(134.0,0.007);(135.0,0.014);(136.0,0.006);(137.0,0.006);(138.0,0.001);(139.0,0.001);(140.0,0.0);(141.0,0.001);(142.0,0.0);(143.0,0.003);(144.0,0.001);(145.0,0.005);(146.0,0.001);(150.0,0.013);(151.0,0.016);(152.0,0.002);(153.0,0.002);(154.0,0.0);(155.0,0.001);(156.0,0.0);(157.0,0.001);(158.0,0.0);(159.0,0.002);(160.0,0.002);(161.0,0.014);(162.0,0.015);(163.0,0.017);(164.0,0.005);(165.0,0.006);(166.0,0.004);(167.0,0.002);(168.0,0.001);(169.0,0.001);(170.0,0.0);(171.0,0.0);(172.0,0.0);(173.0,0.001);(174.0,0.001);(175.0,0.004);(176.0,0.001);(177.0,0.023);(178.0,0.012);(179.0,1.0);(180.0,0.168);(181.0,0.055);(182.0,0.006);(183.0,0.001);(184.0,0.001);(185.0,0.001);(186.0,0.0);(187.0,0.001);(188.0,0.0);(189.0,0.003);(190.0,0.002);(191.0,0.011);(192.0,0.051);(193.0,0.067);(194.0,0.013);(195.0,0.007);(196.0,0.001);(197.0,0.001);(198.0,0.0);(199.0,0.0);(200.0,0.0);(201.0,0.0);(202.0,0.0);(203.0,0.004);(204.0,0.001);(205.0,0.006);(206.0,0.002);(207.0,0.01);(208.0,0.002);(209.0,0.006);(210.0,0.001);(211.0,0.001);(212.0,0.0);(213.0,0.0);(214.0,0.0);(215.0,0.0);(216.0,0.0);(217.0,0.001);(218.0,0.001);(219.0,0.006);(220.0,0.002);(221.0,0.01);(222.0,0.002);(223.0,0.01);(224.0,0.002);(225.0,0.001);(226.0,0.0);(227.0,0.0);(228.0,0.0);(229.0,0.0);(230.0,0.0);(231.0,0.0);(232.0,0.0);(233.0,0.002);(234.0,0.001);(235.0,0.003);(236.0,0.001);(237.0,0.005);(238.0,0.001);(239.0,0.001);(240.0,0.001);(241.0,0.0);(242.0,0.0);(243.0,0.0);(244.0,0.0);(245.0,0.0);(246.0,0.0);(247.0,0.0);(248.0,0.0);(249.0,0.001);(250.0,0.001);(251.0,0.004);(252.0,0.001);(253.0,0.001);(254.0,0.001);(255.0,0.0);(256.0,0.0);(257.0,0.0);(258.0,0.0);(259.0,0.0);(260.0,0.0);(261.0,0.0);(262.0,0.0);(263.0,0.001);(264.0,0.001);(265.0,0.025);(266.0,0.008);(267.0,0.18);(268.0,0.048);(269.0,0.02);(270.0,0.004);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.001);(276.0,0.0);(277.0,0.001);(278.0,0.0);(279.0,0.001);(280.0,0.118);(281.0,0.039);(282.0,0.015);(283.0,0.003);(284.0,0.001);(285.0,0.0);(286.0,0.0);(287.0,0.0);(288.0,0.0);(289.0,0.0);(290.0,0.0);(291.0,0.001);(292.0,0.001);(293.0,0.003);(294.0,0.001);(295.0,0.006);(296.0,0.001);(297.0,0.001);(298.0,0.0);(299.0,0.0);(300.0,0.0);(301.0,0.0);(302.0,0.0);(303.0,0.0);(304.0,0.0);(305.0,0.0);(306.0,0.0);(307.0,0.001);(308.0,0.001);(309.0,0.001);(310.0,0.002);(311.0,0.001);(312.0,0.0);(313.0,0.0);(314.0,0.0);(315.0,0.0);(316.0,0.0);(317.0,0.0);(318.0,0.0);(319.0,0.0);(320.0,0.0);(321.0,0.0);(322.0,0.0);(323.0,0.0);(324.0,0.0);(325.0,0.001);(326.0,0.001);(327.0,0.0);(328.0,0.0);(329.0,0.0);(330.0,0.0);(331.0,0.0);(332.0,0.0);(333.0,0.0);(334.0,0.0);(335.0,0.0);(336.0,0.0);(337.0,0.0);(338.0,0.0);(339.0,0.0);(340.0,0.0);(341.0,0.0);(342.0,0.0);(343.0,0.0);(344.0,0.0);(345.0,0.0);(346.0,0.0);(347.0,0.0);(348.0,0.0);(349.0,0.0);(350.0,0.0);(351.0,0.0);(352.0,0.0);(353.0,0.0);(355.0,0.0);(356.0,0.0);(357.0,0.0);(358.0,0.0);(359.0,0.0);(360.0,0.0);(361.0,0.0);(362.0,0.0);(363.0,0.0);(364.0,0.0);(365.0,0.0);(366.0,0.0);(367.0,0.0);(368.0,0.0);(369.0,0.0);(370.0,0.0);(379.0,0.0);(380.0,0.0);(381.0,0.0);(382.0,0.0);(383.0,0.012);(384.0,0.008);(385.0,0.004);(386.0,0.001);(387.0,0.0);(388.0,0.0);(389.0,0.0);(390.0,0.0);(391.0,0.0);(392.0,0.0);(393.0,0.0);(394.0,0.0);(395.0,0.0);(396.0,0.001);(397.0,0.007);(398.0,0.123);(399.0,0.051);(400.0,0.025);(401.0,0.006);(402.0,0.001);(403.0,0.0);(404.0,0.0);(405.0,0.0);(406.0,0.0);(407.0,0.0);(408.0,0.0);(409.0,0.0);(410.0,0.0);(420.0,0.0);(421.0,0.0);(422.0,0.0);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.0);(440.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(460.0,0.0);(462.0,0.0);(464.0,0.0) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.98927962,1.259941307);(44.99710422,5.046217562);(51.02292522,1.445184949);(59.01275342,1.230100917);(93.03348852,2.94903709);(95.01275342,1.12327021);(95.04913772,1.969538124);(107.0491377,0.9554357429);(108.020578,2.04753527);(109.0284026,5.145248148);(109.0647869,1.395236348);(110.0362272,3.274559089);(111.0440518,2.480733997);(112.0518764,1.141293834);(113.059701,1.063349484);(120.020578,1.046973953);(121.0284026,6.603603254);(122.0362272,4.419992646);(123.0440518,10.3472223);(134.0362272,1.445971008);(135.0440518,3.399993369);(136.0518764,8.955437117);(137.059701,5.961951493);(138.0675256,4.787211204);(152.0467905,1.076379231);(153.0546151,1.020201985);(154.0624397,0.9682851597);(164.0467905,4.175998092);(165.0546151,5.078852751);(181.0495292,1.523641343);(182.0573538,6.661603024) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (71.03115062,0.9031555253);(72.03897522,0.7789230531);(73.04679982,12.4398542);(74.04796012,1.064431505);(74.05462442,0.726725687);(75.02606472,5.210627257);(89.04171392,3.528771176);(90.04953852,1.348552951);(91.05736312,1.170667969);(117.036628,1.255502495);(131.0522772,1.048619738);(265.1074502,2.450421499);(267.1230994,6.971315721);(268.1249694,1.7497292);(280.130924,0.8659643902);(281.1387486,4.071284124);(282.140687,1.068646008);(297.1336627,1.844850655);(308.1258381,0.7273886545);(309.1336627,3.361844204);(310.1356621,0.9213221137);(324.1207522,0.833192242);(325.1285768,3.083795143);(326.1305793,0.8462781738);(326.1364014,3.202883398);(327.1384062,0.8794397699);(327.144226,1.681384763);(382.1446268,0.8610220747);(383.1524514,7.297970466);(384.154198,2.542246161);(385.1519929,1.20241988) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (43.98927962,0.9199605089);(44.99710422,3.68455328);(59.01275342,1.561730545);(108.020578,1.498683678);(109.0284026,4.042880816);(110.0362272,2.476364341);(111.0440518,1.831818856);(112.0518764,0.8034472296);(120.020578,0.8263858838);(121.0284026,8.15945171);(122.0362272,3.273376876);(123.0440518,15.13290931);(124.0474536,1.21301438);(134.0362272,1.055792215);(135.0440518,3.33007612);(136.0518764,6.809813748);(137.059701,6.987044846);(138.0675256,3.193591169);(152.0467905,0.7859305664);(153.0546151,0.7449121094);(154.0624397,0.7070044478);(164.0467905,2.770896474);(165.0546151,1.644105559);(180.0417046,0.923836878);(181.0495292,0.979539961);(182.0573538,4.883733416) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.01550142,1.329823872);(59.03115062,1.264665285);(71.03115062,1.389631983);(72.03897522,0.7877822287);(73.01041552,1.270504054);(73.04679982,11.01412077);(74.04796012,0.9424368614);(74.05462442,1.140996597);(75.02606472,3.889470128);(75.06244902,1.088119247);(89.04171392,5.168478805);(90.04953852,2.137097959);(91.05736312,1.801237556);(109.0284026,0.9894745486);(110.0362272,0.8299483129);(117.036628,2.695746218);(121.0284026,2.166854728);(122.0362272,0.9920946363);(123.0440518,7.471304386);(131.0522772,1.278134085);(135.0440518,1.388717345);(136.0518764,1.687153368);(137.059701,7.255414902);(138.0675256,0.8065912534);(139.0753502,1.532344163);(165.0546151,5.272020903);(181.0495292,2.093732246);(182.0573538,1.44942534);(237.0941389,0.8152839343);(239.0734038,2.885896586);(254.0968776,1.319029119) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,3.291999193);(71.03115062,0.8344671817);(73.04679982,9.072682613);(75.06244902,0.8419885291);(109.0284026,1.463021381);(121.0284026,1.417873325);(123.0440518,2.540408533);(137.059701,0.8647727588);(165.0730123,1.09650186);(167.0522772,1.362526828);(167.0886615,1.021325102);(179.0522772,1.365770965);(181.0495292,3.166579139);(181.0679264,1.197105058);(182.0573538,2.027419901);(183.0651784,1.760529982);(193.0679264,4.678795341);(194.075751,0.8397890889);(195.0835756,5.741999136);(196.0858164,0.9507234395);(207.0835756,1.038359829);(208.0914002,1.459103448);(209.0992248,2.114945417);(210.1070494,0.8244419255);(221.0628405,1.143628825);(236.0863143,1.059233389);(237.0941389,2.485273377);(239.0734038,4.469762929);(240.0757232,0.7934603304);(253.089053,0.8960970716);(254.0968776,1.778397283) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,3.430015864);(71.03115062,0.8817585423);(73.04679982,9.589637429);(74.04796012,0.8205491828);(75.06244902,0.8897061435);(109.0284026,1.528578229);(123.0440518,2.673293763);(137.059701,0.9079116214);(153.0546151,0.988990496);(167.0522772,1.206139507);(179.0522772,1.422862717);(180.0417046,0.8251095117);(181.0495292,3.332903551);(181.0679264,1.267900532);(182.0573538,2.151917648);(183.0651784,1.851108077);(193.0679264,2.35073712);(194.075751,0.8924332144);(195.0835756,5.578315901);(196.0858164,0.9236218179);(207.0835756,1.0972063);(208.0914002,1.55057073);(209.0992248,2.240020959);(210.1070494,0.8761239786);(221.0628405,1.193052975);(236.0863143,1.124096168);(237.0941389,2.626120089);(239.0734038,5.207193716);(240.0757232,0.9243670664);(253.089053,0.9468811536);(254.0968776,1.960252135) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.584306672);(71.03115062,1.154254068);(73.01041552,1.542917519);(73.04679982,12.63895362);(74.04796012,1.081467693);(74.05462442,0.9388992654);(75.02606472,3.978616381);(75.06244902,0.9038120041);(89.04171392,4.289157818);(90.04953852,1.751058362);(91.05736312,1.496141282);(117.036628,1.627936501);(131.0522772,1.322251456);(181.0679264,1.00987798);(193.0679264,1.84340724);(195.0835756,6.238944091);(196.0858164,1.033004402);(207.0835756,0.7940783553);(209.0992248,6.002840726);(210.1015429,1.062908341);(237.0941389,4.168946044);(239.0734038,2.528115073);(252.0812284,0.8382228039);(253.089053,2.293959413);(254.0968776,1.648542605);(255.1047022,1.671735347);(283.1180135,0.8106750571);(310.105103,0.8091952656);(311.1129276,5.410914972);(312.1148676,1.422710988);(326.1364014,0.8372736675) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.578077484);(71.03115062,1.127683611);(73.01041552,1.534077735);(73.04679982,12.41284259);(74.04796012,1.062120223);(74.05462442,0.9162744267);(75.02606472,3.952957795);(75.06244902,0.8830066209);(89.04171392,4.189979171);(90.04953852,1.707994599);(91.05736312,1.461700721);(117.036628,1.588126695);(131.0522772,1.291813767);(181.0679264,1.078859668);(193.0679264,3.252762299);(195.0835756,6.141834483);(196.0858164,1.016925615);(207.0835756,0.7757989959);(209.0992248,5.310723071);(210.1015429,0.9403567584);(237.0941389,4.085954237);(239.0734038,2.505244669);(252.0812284,0.8189272573);(253.089053,2.813900165);(254.0968776,1.607760503);(255.1047022,1.633252682);(283.1180135,1.12620018);(310.105103,0.7905679211);(311.1129276,5.183897399);(312.1148676,1.363020456);(326.1364014,0.8024645775) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,4.087376903);(59.03115062,1.016628903);(73.01041552,0.915972459);(73.04679982,10.8309067);(74.04796012,0.9267599224);(75.02606472,1.391443882);(109.0284026,0.7851521219);(125.059701,1.030204424);(195.0835756,1.648126037);(209.0628405,0.8582700444);(224.0863143,0.9896240647);(225.0941389,2.705811211);(239.0734038,3.459250749);(251.091801,0.9399334315);(252.0812284,0.8782729576);(253.089053,3.846066369);(253.1074502,0.8322429854);(254.0968776,2.108347115);(255.1047022,1.689831525);(265.1074502,2.479090666);(266.1152748,1.182187092);(267.1230994,3.623945651);(268.1249694,0.9095734262);(281.1387486,1.87345849);(282.1465732,1.010327248);(308.1258381,0.9842253857);(309.1336627,1.509371986);(310.105103,0.8757375318);(311.1129276,5.834366555);(312.1148676,1.534050609);(326.1364014,0.9003831752) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,0.9262635211);(57.01550142,1.046060095);(57.06987282,1.912168464);(59.03115062,2.862118683);(73.01041552,2.449171213);(75.02606472,8.657446885);(76.03388932,0.7400677746);(77.04171392,2.357656624);(103.0209788,1.536328686);(109.0284026,0.7660666181);(115.0937474,1.195756765);(117.036628,0.7884662145);(117.0730123,1.726495417);(121.0284026,1.797575416);(123.0440518,5.107364687);(131.0886615,1.855153604);(135.0440518,1.011270799);(136.0518764,0.8995256081);(137.059701,6.366280173);(138.0675256,0.908682672);(139.0753502,1.546589944);(165.0546151,5.956754988);(181.0495292,2.643130636);(182.0573538,1.036084026);(183.0651784,2.468963669);(211.0784897,0.7492341467);(225.0577546,0.9036049847);(239.0734038,3.888259449);(240.0812284,1.430505784);(241.089053,0.8954041579);(281.1203514,1.203836954) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,0.6994696192);(44.99710422,3.946361852);(47.01275342,1.350029499);(55.05422362,1.027131364);(57.06987282,2.150378841);(59.03115062,1.618112469);(59.08552202,0.7331542527);(75.02606472,0.8016265079);(109.0284026,0.9787797714);(111.0440518,0.7482045864);(115.0937474,0.8103265019);(121.0284026,0.7155222249);(123.0440518,1.116531591);(165.0546151,0.722877532);(167.0522772,1.681194712);(179.0522772,3.245783092);(181.0495292,4.237514673);(181.0679264,2.216371434);(182.0573538,3.293913869);(183.0651784,3.784355224);(193.0679264,2.239793512);(195.0835756,2.925177831);(211.0784897,0.9843960304);(221.0628405,1.254862075);(225.0577546,1.750348415);(237.1305232,1.141011397);(239.0734038,5.258699124);(240.0757232,0.9335101684);(240.0812284,1.439097493);(241.089053,1.536543448);(281.1203514,2.549700031) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,0.7175086432);(44.99710422,1.471855651);(47.01275342,1.17839509);(55.05422362,1.055952195);(56.06204822,0.5996283422);(57.06987282,2.210717477);(58.07769742,0.6252941516);(59.03115062,1.032850625);(59.08552202,0.7534359219);(115.0937474,0.8340710487);(123.0440518,0.8426093255);(167.0522772,0.9066041116);(179.0522772,1.695966546);(180.0417046,0.6469316436);(181.0495292,2.997885721);(181.0679264,2.307148891);(182.0573538,3.38450551);(183.0651784,2.993700269);(193.0679264,1.352010819);(195.0835756,2.050362865);(223.0784897,0.6757594646);(225.0577546,1.795489157);(237.1305232,1.196753347);(238.0655792,0.709783319);(239.0734038,32.65482728);(240.0757232,5.796797381);(240.0812284,1.484776346);(241.0733702,1.814300923);(241.089053,1.730449761);(281.1203514,2.757172154) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.225720741);(57.06987282,2.059560534);(59.03115062,1.025411105);(73.01041552,1.176288349);(75.02606472,3.991204008);(77.04171392,1.136223248);(115.0937474,2.568332377);(131.0886615,5.112305955);(133.1043107,2.356150548);(193.0679264,1.281377056);(195.0835756,0.7252168675);(237.1305232,2.49009133);(239.0734038,4.181849375);(240.0757232,0.7423506883);(251.1461724,2.765199065);(253.1618216,0.7733931667);(279.1410865,3.16814256);(295.0816292,2.279711598);(295.1360006,1.613899903);(297.0972784,7.777221517);(297.1516498,1.763121151);(298.0991502,1.955501241);(299.0966756,0.805868126);(299.1129276,1.814155065);(339.144226,2.009043377);(353.1598752,3.922785769);(354.1619881,1.166696967);(354.1676998,0.9671843689);(355.1755244,1.096799227);(395.2068228,2.192739528);(396.2090727,0.7277643345) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.21628186);(57.06987282,2.042059248);(59.03115062,1.02186345);(73.01041552,1.171014153);(75.02606472,4.002509023);(77.04171392,1.128786744);(115.0937474,2.545941186);(131.0886615,5.064605349);(133.1043107,2.336632259);(179.0522772,1.295256208);(193.0679264,1.2702583);(237.1305232,2.5057568);(239.0734038,4.150122841);(240.0757232,0.7367186791);(251.1461724,2.750357974);(253.1618216,0.7685374388);(279.1410865,3.144744902);(295.0816292,2.263376151);(295.1360006,1.600148281);(297.0972784,7.850565454);(297.1516498,1.53161687);(298.0991502,1.973942809);(299.0966756,0.8134679535);(299.1129276,1.811908778);(325.1649611,0.8463074235);(339.144226,1.988588033);(353.1598752,3.886530457);(354.1619881,1.155914079);(354.1676998,0.9797509472);(355.1755244,1.083870968);(395.2068228,2.168392027) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,2.741944102);(55.05422362,1.237289805);(57.06987282,2.187739888);(75.02606472,1.036225435);(115.0937474,1.765691656);(125.059701,0.7803177253);(131.0886615,0.7497105646);(239.0734038,4.996146009);(240.0757232,0.8869024433);(265.1254373,0.7020891668);(267.1410865,1.454787775);(279.1410865,0.7431356954);(293.1387486,1.081912627);(295.0816292,2.292502463);(295.1360006,2.488978541);(295.1543978,1.407696139);(297.0972784,7.964030414);(297.1516498,2.105077032);(298.0991502,2.00247239);(299.0966756,0.8252250821);(299.1129276,2.371084945);(307.1543978,1.576062966);(309.170047,0.7931982383);(339.144226,2.468001686);(340.1462859,0.7056546353);(353.1598752,3.902373102);(354.1619881,1.160625926);(354.1676998,0.9464190543);(355.1755244,1.529546791);(395.2068228,2.333391916);(396.2090727,0.7744464826) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.06987282,0.8553532586);(59.03115062,0.9595277649);(73.01041552,1.556641203);(75.02606472,4.793662447);(131.0886615,0.8141155411);(307.1543978,1.199886335);(309.170047,0.9928675566);(351.2169946,1.879263375);(353.1598752,5.758838462);(354.1619881,1.712767346);(365.2326438,1.731844084);(381.2275579,1.102413947);(393.2275579,2.179349867);(394.2298453,0.7475526599);(409.1681006,2.215336836);(409.222472,2.012918273);(410.1699479,0.8219733177);(411.1837498,13.98971768);(411.2381212,1.166313839);(412.1856007,5.194909164);(413.1835583,2.418928081);(413.199399,2.02527041);(414.2012535,0.752666867);(466.238522,1.425052985);(467.2463466,3.688290231);(468.2483717,1.539173366);(469.2619958,1.748940736);(470.2640239,0.7303813694);(509.2932942,4.156740784);(510.2954266,1.877996371);(511.2939946,0.8545534056) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (93.0,5.73);(111.0,6.835);(113.0,8.381);(119.0,5.358);(133.0,5.09);(135.0,14.005);(136.0,6.268);(137.0,34.11);(139.0,30.24);(140.0,23.129);(141.0,100.0);(151.0,9.361);(163.0,3.651);(165.0,24.49);(166.0,8.758);(183.0,30.912) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (65.0,67.506);(66.0,24.768);(67.0,12.485);(77.0,11.609);(79.0,10.881);(89.0,20.014);(91.0,30.471);(92.0,16.732);(93.0,100.0);(94.0,33.976);(95.0,53.945);(103.0,12.267);(107.0,9.88);(109.0,8.182);(111.0,10.652);(113.0,12.612);(119.0,9.889);(137.0,10.88) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (63.0,8.196);(65.0,100.0);(66.0,40.885);(67.0,15.859);(77.0,22.131);(78.0,11.931);(79.0,10.157);(89.0,24.814);(90.0,10.215);(91.0,18.272);(92.0,14.396);(93.0,16.418);(94.0,5.896);(95.0,7.941) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (44.7,0.003003003);(59.0,0.007007007);(72.6,0.001001001);(93.0,0.002002002);(99.0,0.003003003);(109.0,0.003003003);(119.1,0.003003003);(120.8,0.003003003);(123.0,0.001001001);(135.1,0.001001001);(137.0,0.0550550551);(141.2,0.003003003);(144.9,0.002002002);(148.7,0.001001001);(151.3,0.001001001);(181.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (45.2,0.013013013);(57.4,0.001001001);(59.0,0.2482482482);(73.2,0.003003003);(80.8,0.01001001);(84.8,0.002002002);(89.3,0.002002002);(91.1,0.004004004);(92.9,0.016016016);(94.4,0.002002002);(95.0,0.016016016);(99.4,0.008008008);(100.9,0.002002002);(104.7,0.004004004);(107.0,0.01001001);(109.1,0.2652652653);(118.0,0.003003003);(118.9,0.1221221221);(121.0,0.1681681682);(122.3,0.036036036);(135.0,0.1031031031);(137.2,1.0);(138.7,0.001001001);(141.0,0.001001001);(144.6,0.001001001);(149.3,0.007007007);(165.9,0.009009009);(181.2,0.3673673674) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (41.1,0.016016016);(45.2,0.027027027);(59.0,1.0);(70.7,0.002002002);(79.0,0.006006006);(80.9,0.039039039);(89.5,0.003003003);(91.3,0.016016016);(93.0,0.1161161161);(95.2,0.0570570571);(107.4,0.037037037);(107.8,0.031031031);(109.3,0.5335335335);(118.0,0.012012012);(118.9,0.2032032032);(121.1,0.4114114114);(121.9,0.1401401401);(135.3,0.3163163163);(137.0,0.1681681682);(166.0,0.009009009);(181.2,0.013013013) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (41.1,0.1831831832);(45.2,0.0500500501);(52.9,0.01001001);(57.0,0.008008008);(59.2,1.0);(67.2,0.016016016);(78.4,0.006006006);(81.2,0.0850850851);(90.2,0.012012012);(91.0,0.024024024);(93.0,0.3543543544);(96.7,0.006006006);(106.8,0.018018018);(107.5,0.042042042);(108.2,0.1071071071);(109.4,0.5885885886);(116.9,0.036036036);(119.0,0.1671671672);(121.0,0.1891891892);(122.3,0.046046046);(134.4,0.038038038);(135.3,0.2482482482) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (41.1,0.8498498498);(45.2,0.0900900901);(52.8,0.038038038);(59.2,1.0);(65.3,0.1051051051);(78.7,0.023023023);(80.8,0.1131131131);(89.9,0.0600600601);(91.4,0.1351351351);(93.3,0.4134134134);(108.0,0.6236236236);(109.0,0.6916916917);(117.0,0.2182182182);(118.9,0.0830830831);(121.3,0.1281281281);(133.6,0.0530530531);(135.2,0.0900900901) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (44.7,0.277901);(59.0,0.732647);(72.6,0.03158);(93.0,0.20211);(99.0,0.277901);(109.0,0.290532);(119.1,0.271585);(120.8,0.30948);(123.0,0.069475);(135.1,0.094739);(137.0,5.507484);(141.2,0.303164);(144.9,0.183162);(148.7,0.13895);(151.3,0.132634);(181.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (45.2,1.269358);(57.4,0.076161);(59.0,24.854024);(73.2,0.330033);(80.8,1.015486);(84.8,0.228484);(89.3,0.17771);(91.1,0.380807);(92.9,1.650165);(94.4,0.203097);(95.0,1.624778);(99.4,0.812389);(100.9,0.203097);(104.7,0.35542);(107.0,0.990099);(109.1,26.504189);(118.0,0.253872);(118.9,12.261995);(121.0,16.831683);(122.3,3.579589);(135.0,10.357959);(137.2,100.0);(138.7,0.101549);(141.0,0.126936);(144.6,0.101549);(149.3,0.71084);(165.9,0.88855);(181.2,36.735212) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (41.1,1.579779);(45.2,2.685624);(59.0,100.0);(70.7,0.236967);(79.0,0.552923);(80.9,3.870458);(89.5,0.315956);(91.3,1.579779);(93.0,11.611374);(95.2,5.687204);(107.4,3.71248);(107.8,3.080569);(109.3,53.396524);(118.0,1.184834);(118.9,20.300158);(121.1,41.153239);(121.9,13.981043);(135.3,31.674566);(137.0,16.824645);(166.0,0.947867);(181.2,1.263823) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (41.1,18.346774);(45.2,5.040323);(52.9,1.008065);(57.0,0.806452);(59.2,100.0);(67.2,1.612903);(78.4,0.604839);(81.2,8.467742);(90.2,1.209677);(91.0,2.419355);(93.0,35.483871);(96.7,0.604839);(106.8,1.814516);(107.5,4.233871);(108.2,10.685484);(109.4,58.870968);(116.9,3.629032);(119.0,16.733871);(121.0,18.951613);(122.3,4.637097);(134.4,3.830645);(135.3,24.798387) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (41.1,84.962406);(45.2,9.022556);(52.8,3.759398);(59.2,100.0);(65.3,10.526316);(78.7,2.255639);(80.8,11.278195);(89.9,6.015038);(91.4,13.533835);(93.3,41.353383);(108.0,62.406015);(109.0,69.172932);(117.0,21.804511);(118.9,8.270677);(121.3,12.781955);(133.6,5.263158);(135.2,9.022556) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.1002408025);(43.01838972,0.7094505869);(44.99765427,0.061885395);(55.01838972,0.7475062153);(57.03403978,0.704343813);(61.0289544,0.1887350814);(67.01838972,0.072861173);(69.03403978,0.0720707879);(71.01330434,0.2246992);(73.0289544,0.6645468285);(75.04460446,0.1655922757);(81.03403978,0.0619269856);(85.0289544,0.0802302489);(87.04460446,0.0683648053);(107.0496898,0.0723621789);(109.0289544,1.225281246);(111.0446045,0.5827591496);(119.0496898,0.119032053);(123.0446045,4.936551459);(133.0289544,0.254197248);(135.0446045,0.9698077557);(137.0602545,5.928955517);(139.0395191,0.065682209);(139.0759046,0.59647123);(141.0551691,0.0503272141);(147.0446045,8.876993748);(151.0395191,0.1211333186);(153.0551691,0.2250708961);(165.0551691,50.69802559);(167.0344337,0.1086453362);(183.0657338,21.24624966) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.514441837);(43.01838972,0.5643176719);(53.03912516,0.4655030439);(55.01838972,1.917440693);(57.03403978,0.612076401);(61.0289544,0.5632936024);(71.01330434,0.8563762261);(73.0289544,2.040182709);(79.05477522,0.4288226345);(81.03403978,0.6238294386);(93.03403978,0.8158486331);(99.04460446,0.4273752784);(101.0602545,0.3711882414);(105.0340398,1.177180713);(107.0496898,2.516432688);(109.0289544,2.877697356);(109.0653399,0.590931701);(111.0446045,1.46000972);(119.0496898,0.8261989567);(121.0289544,0.2883882633);(123.0446045,11.44935592);(133.0289544,1.373146206);(135.0446045,3.462360734);(137.0602545,19.84429632);(139.0395191,0.3463429007);(139.0759046,1.611107632);(147.0446045,7.634957753);(151.0395191,0.3653444074);(153.0551691,1.581222612);(165.0551691,22.79017829);(183.0657338,9.604151418) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,4.395978837);(41.03912516,1.795733575);(43.01838972,2.343337232);(51.0234751,8.264971434);(53.03912516,3.368426607);(55.01838972,1.622959912);(57.03403978,1.5749);(65.03912516,1.523770341);(67.01838972,1.400444342);(67.05477522,5.163005529);(69.03403978,1.113672104);(71.01330434,1.50733837);(73.0289544,1.250984976);(77.03912516,4.205154282);(79.01838972,2.090606225);(79.05477522,6.203655538);(81.03403978,1.488829141);(81.07042529,2.011571622);(93.03403978,3.856615042);(105.0340398,2.558109221);(107.0496898,4.568023407);(109.0289544,5.095946846);(109.0653399,1.323633598);(111.0446045,1.201678343);(119.0496898,5.220733517);(121.0653399,1.560829212);(123.0446045,12.69043483);(135.0446045,2.761076108);(137.0602545,3.755931527);(147.0446045,2.150199592);(165.0551691,1.931448697) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2136879587);(29.00273965,0.0256349307);(41.00273965,0.5881149959);(44.99765427,0.1435402123);(53.00273965,0.0306126042);(55.01838972,0.0360770863);(59.01330434,1.716667911);(73.0289544,0.0321446697);(79.05477522,0.0360137999);(97.0289544,0.043086424);(105.0340398,0.0311049406);(107.0133043,0.0265270113);(107.0496898,0.0678099078);(109.0289544,0.184473139);(119.0496898,0.2954958486);(121.0289544,0.2448930398);(123.0446045,0.1592336228);(125.023869,0.0303682044);(125.0602545,0.0431266844);(133.0289544,0.144328743);(135.0446045,0.7317766617);(137.023869,0.0396879726);(137.0602545,11.49454251);(139.0395191,0.2037713137);(145.0289544,0.2117192762);(149.023869,0.0371587031);(151.0395191,0.249534697);(155.0344337,0.1299513047);(163.0395191,16.61751375);(165.0187836,0.1056814225);(181.0500838,66.08572065) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.2742244001);(41.00273965,2.272090425);(44.99765427,0.9020807202);(55.01838972,0.2571816546);(59.01330434,7.390432749);(79.05477522,0.2885005033);(95.04968984,0.4961961683);(97.0289544,0.2261555314);(105.0340398,0.3242526105);(107.0133043,0.2620423773);(107.0496898,0.5811267878);(109.0289544,0.6602657801);(119.0133043,0.2400289129);(119.0496898,0.8818719204);(121.0289544,2.297804834);(123.0446045,0.8309820308);(125.0602545,0.2555586037);(127.0395191,0.1627448336);(133.0289544,1.020986385);(135.0446045,2.239777126);(137.023869,0.515142805);(137.0602545,17.00386701);(139.0395191,1.0627034);(145.0289544,1.586407501);(149.023869,0.6109615373);(151.0395191,0.3501979612);(153.0187836,0.1868930179);(155.0344337,0.2607696601);(163.0395191,25.18608523);(165.0187836,0.9364361332);(181.0500838,30.43623138) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,19.10359939);(44.99765427,4.274506456);(55.01838972,1.159116743);(59.01330434,25.04562269);(65.03912516,0.7288544568);(68.99765427,0.5638774472);(77.03912516,0.5616183473);(79.05477522,0.9275150476);(91.01838972,0.9309983922);(95.04968984,0.5893765949);(97.0289544,0.6043635324);(105.0340398,1.500716735);(107.0133043,1.286440861);(107.0496898,2.07843892);(109.0289544,3.37789131);(117.0340398,1.192184058);(119.0133043,0.7190740724);(119.0496898,3.59018279);(121.0289544,4.259897527);(123.0446045,0.7510711393);(133.0289544,3.0932598);(135.008219,0.6777818875);(135.0446045,3.011382127);(137.023869,1.02263585);(137.0602545,4.585474297);(139.0395191,0.7334195509);(145.0289544,3.110546615);(149.023869,1.318938884);(151.0395191,0.8981175794);(163.0395191,6.917812946);(181.0500838,1.38528395) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (59.01385,47.7);(59.01385,47.7);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(163.04007,17.47);(181.05063,100.0);(181.05063,100.0);(181.05063,100.0);(181.05063,100.0);(181.05063,100.0);(181.05063,100.0);(181.05063,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,16.64);(59.01385,23.4);(59.01385,23.4);(107.05024,5.04);(107.05024,5.04);(109.06589,5.89);(109.06589,5.89);(119.05024,15.02);(119.05024,15.02);(133.0295,5.42);(133.0295,5.42);(133.0295,5.42);(133.0295,5.42);(133.0295,5.42);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(135.04515,28.65);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0);(137.0608,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,83.09);(51.02402,7.51);(53.00329,7.45);(55.01894,19.89);(59.01385,9.7);(59.01385,9.7);(63.02402,19.6);(65.00329,8.53);(65.03967,9.43);(65.03967,9.43);(67.01894,14.09);(91.01894,11.85);(91.01894,11.85);(93.03459,35.21);(93.03459,35.21);(93.03459,35.21);(107.05024,18.1);(107.05024,18.1);(109.0295,12.5);(109.0295,12.5);(109.0295,12.5);(109.0295,12.5);(109.0295,12.5);(109.0295,12.5);(109.06589,21.4);(109.06589,21.4);(119.05024,16.87);(119.05024,16.87);(121.0295,40.38);(121.0295,40.38);(121.0295,40.38);(121.0295,40.38);(121.0295,40.38);(133.0295,39.2);(133.0295,39.2);(133.0295,39.2);(133.0295,39.2);(133.0295,39.2);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(137.0608,10.25);(137.0608,10.25);(137.0608,10.25);(137.0608,10.25);(137.0608,10.25);(137.0608,10.25);(137.0608,10.25);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92);(163.04007,8.92) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (95.04914,24.37);(95.04914,24.37);(95.04914,24.37);(119.04914,14.71);(119.04914,14.71);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(123.04406,98.3);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(165.05462,54.32);(183.06519,20.45);(183.06519,20.45);(183.06519,20.45);(183.06519,20.45);(183.06519,20.45);(183.06519,20.45);(183.06519,20.45) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (55.01784,15.4);(67.05423,11.36);(67.05423,11.36);(81.03349,11.6);(81.03349,11.6);(81.03349,11.6);(93.03349,8.68);(93.03349,8.68);(93.03349,8.68);(95.04914,57.79);(95.04914,57.79);(95.04914,57.79);(105.03349,20.56);(109.02841,13.42);(109.02841,13.42);(109.02841,13.42);(109.02841,13.42);(109.02841,13.42);(111.04406,13.47);(111.04406,13.47);(111.04406,13.47);(111.04406,13.47);(111.04406,13.47);(111.04406,13.47);(111.04406,13.47);(119.04914,28.69);(119.04914,28.69);(121.02841,8.22);(121.02841,8.22);(121.02841,8.22);(121.02841,8.22);(121.02841,8.22);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(137.05971,56.34);(147.04406,11.5);(147.04406,11.5);(147.04406,11.5);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(165.05462,17.48);(183.06519,8.9);(183.06519,8.9);(183.06519,8.9);(183.06519,8.9);(183.06519,8.9);(183.06519,8.9);(183.06519,8.9) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,36.99);(51.02293,38.66);(53.03858,100.0);(55.01784,18.73);(65.03858,81.98);(65.03858,81.98);(67.05423,36.44);(67.05423,36.44);(77.03858,20.72);(79.01784,17.36);(79.05423,45.53);(81.03349,75.01);(81.03349,75.01);(81.03349,75.01);(93.03349,55.75);(93.03349,55.75);(93.03349,55.75);(95.04914,73.51);(95.04914,73.51);(95.04914,73.51);(105.03349,14.79);(109.02841,17.86);(109.02841,17.86);(109.02841,17.86);(109.02841,17.86);(109.02841,17.86);(111.04406,27.41);(111.04406,27.41);(111.04406,27.41);(111.04406,27.41);(111.04406,27.41);(111.04406,27.41);(111.04406,27.41);(117.03349,14.5);(117.03349,14.5);(119.04914,42.3);(119.04914,42.3);(121.02841,13.56);(121.02841,13.56);(121.02841,13.56);(121.02841,13.56);(121.02841,13.56);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(123.04406,46.35);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(137.05971,35.82);(147.04406,29.61);(147.04406,29.61);(147.04406,29.61) |
| 
