| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.394);(71.0,0.034);(72.0,0.235);(76.0,0.015);(77.0,0.034);(78.0,0.012);(79.0,0.037);(80.0,0.026);(81.0,0.093);(82.0,0.218);(83.0,0.053);(84.0,0.09);(85.0,0.017);(86.0,0.066);(87.0,0.008);(88.0,0.003);(89.0,0.007);(90.0,0.002);(91.0,0.004);(92.0,0.007);(93.0,0.033);(94.0,0.064);(95.0,0.025);(96.0,0.01);(97.0,0.009);(98.0,0.017);(99.0,0.018);(100.0,0.31);(101.0,0.031);(102.0,0.018);(103.0,0.005);(104.0,0.015);(105.0,0.004);(106.0,0.006);(107.0,0.018);(108.0,0.081);(109.0,0.259);(110.0,0.039);(111.0,0.093);(112.0,0.015);(113.0,0.014);(114.0,0.008);(115.0,0.003);(116.0,0.003);(117.0,0.005);(118.0,0.092);(119.0,0.009);(120.0,0.018);(121.0,0.005);(122.0,0.01);(123.0,0.007);(124.0,0.009);(125.0,0.147);(126.0,0.021);(127.0,0.015);(128.0,0.003);(129.0,0.004);(130.0,0.0);(131.0,0.002);(132.0,0.002);(133.0,0.006);(134.0,0.007);(135.0,0.017);(136.0,0.054);(137.0,0.025);(138.0,0.014);(139.0,0.013);(140.0,0.006);(141.0,0.013);(142.0,0.002);(143.0,0.002);(145.0,0.001);(146.0,0.001);(150.0,0.007);(151.0,0.008);(152.0,0.03);(153.0,0.011);(154.0,0.005);(156.0,0.001);(157.0,0.0);(158.0,0.0);(161.0,0.011);(162.0,0.002);(163.0,0.067);(164.0,0.01);(165.0,0.004);(166.0,0.014);(167.0,0.007);(168.0,0.011);(170.0,0.002);(174.0,0.001);(175.0,0.001);(176.0,0.001);(177.0,0.009);(178.0,0.01);(179.0,0.012);(180.0,0.044);(181.0,0.011);(182.0,0.005);(184.0,0.001);(189.0,0.001);(190.0,0.0);(191.0,0.002);(192.0,0.001);(193.0,0.033);(194.0,0.018);(195.0,0.008);(196.0,0.012);(200.0,0.0);(202.0,0.0);(203.0,0.001);(204.0,0.001);(205.0,0.002);(206.0,0.001);(207.0,0.022);(208.0,0.006);(209.0,0.006);(210.0,0.004);(211.0,0.002);(212.0,0.001);(213.0,0.0);(214.0,0.001);(215.0,0.0);(216.0,0.001);(218.0,0.0);(219.0,0.001);(220.0,0.001);(221.0,0.009);(222.0,0.011);(223.0,0.01);(224.0,0.003);(226.0,0.001);(228.0,0.0);(229.0,0.001);(231.0,0.0);(233.0,0.002);(234.0,0.003);(235.0,0.026);(236.0,0.018);(237.0,1.0);(238.0,0.176);(239.0,0.054);(240.0,0.008);(241.0,0.001);(242.0,0.001);(243.0,0.001);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.001);(248.0,0.0);(250.0,0.001);(251.0,0.041);(252.0,0.169);(253.0,0.034);(254.0,0.009);(255.0,0.002);(256.0,0.001);(257.0,0.001);(258.0,0.001);(259.0,0.001);(260.0,0.001);(268.0,0.001);(269.0,0.001);(270.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.0);(275.0,0.0);(285.0,0.001);(287.0,0.004);(288.0,0.0);(289.0,0.0);(290.0,0.001);(300.0,0.001);(301.0,0.001);(302.0,0.0);(303.0,0.001);(305.0,0.0);(311.0,0.001);(318.0,0.0);(319.0,0.0);(321.0,0.0);(331.0,0.0);(335.0,0.0);(338.0,0.0);(340.0,0.001);(351.0,0.0);(355.0,0.0);(369.0,0.0);(370.0,0.0);(371.0,0.0);(389.0,0.0);(390.0,0.0);(393.0,0.0);(405.0,0.0);(409.0,0.0);(419.0,0.001);(427.0,0.0);(441.0,0.0);(446.0,0.0);(458.0,0.0);(473.0,0.001);(489.0,0.0);(492.0,0.0);(503.0,0.0);(505.0,0.0);(507.0,0.0);(533.0,0.001);(539.0,0.0);(541.0,0.0);(556.0,0.001);(558.0,0.001);(560.0,0.0);(568.0,0.0);(573.0,0.0);(575.0,0.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (45.0,0.4);(46.0,0.2);(47.0,0.5);(48.0,0.1);(49.0,0.1);(50.0,0.2);(51.0,1.0);(52.0,0.24);(53.0,2.9);(54.0,2.6);(55.0,23.7);(56.0,0.14);(57.0,0.2);(58.0,0.1);(64.0,0.2);(65.0,0.14);(66.0,3.0);(67.0,21.9);(68.0,3.2);(69.0,0.14);(70.0,6.0);(71.0,1.2);(72.0,0.4);(73.0,0.01);(78.0,0.2);(79.0,1.0);(80.0,2.9);(81.0,0.32);(82.0,20.1);(83.0,1.4);(84.0,0.2);(85.0,0.01);(93.0,0.4);(94.0,2.8);(95.0,1.0);(96.0,0.04);(106.0,0.4);(107.0,1.0);(108.0,6.7);(109.0,2.52);(110.0,3.2);(111.0,1.5);(112.0,0.8);(121.0,0.01);(122.0,0.4);(123.0,4.2);(124.0,1.4);(125.0,0.02);(126.0,0.1);(133.0,0.2);(134.0,1.0);(136.0,0.42);(137.0,9.0);(138.0,1.0);(139.0,0.4);(154.0,0.01);(155.0,0.5);(156.0,0.4);(157.0,0.1);(178.0,0.01);(179.0,4.0);(180.0,99.99);(181.0,8.1);(182.0,0.21);(183.0,0.4);(184.0,0.2) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.394);(71.0,0.034);(72.0,0.235);(76.0,0.015);(77.0,0.034);(78.0,0.012);(79.0,0.037);(80.0,0.026);(81.0,0.093);(82.0,0.218);(83.0,0.053);(84.0,0.09);(85.0,0.017);(86.0,0.066);(87.0,0.008);(88.0,0.003);(89.0,0.007);(90.0,0.002);(91.0,0.004);(92.0,0.007);(93.0,0.033);(94.0,0.064);(95.0,0.025);(96.0,0.01);(97.0,0.009);(98.0,0.017);(99.0,0.018);(100.0,0.31);(101.0,0.031);(102.0,0.018);(103.0,0.005);(104.0,0.015);(105.0,0.004);(106.0,0.006);(107.0,0.018);(108.0,0.081);(109.0,0.259);(110.0,0.039);(111.0,0.093);(112.0,0.015);(113.0,0.014);(114.0,0.008);(115.0,0.003);(116.0,0.003);(117.0,0.005);(118.0,0.092);(119.0,0.009);(120.0,0.018);(121.0,0.005);(122.0,0.01);(123.0,0.007);(124.0,0.009);(125.0,0.147);(126.0,0.021);(127.0,0.015);(128.0,0.003);(129.0,0.004);(130.0,0.0);(131.0,0.002);(132.0,0.002);(133.0,0.006);(134.0,0.007);(135.0,0.017);(136.0,0.054);(137.0,0.025);(138.0,0.014);(139.0,0.013);(140.0,0.006);(141.0,0.013);(142.0,0.002);(143.0,0.002);(145.0,0.001);(146.0,0.001);(150.0,0.007);(151.0,0.008);(152.0,0.03);(153.0,0.011);(154.0,0.005);(156.0,0.001);(157.0,0.0);(158.0,0.0);(161.0,0.011);(162.0,0.002);(163.0,0.067);(164.0,0.01);(165.0,0.004);(166.0,0.014);(167.0,0.007);(168.0,0.011);(170.0,0.002);(174.0,0.001);(175.0,0.001);(176.0,0.001);(177.0,0.009);(178.0,0.01);(179.0,0.012);(180.0,0.044);(181.0,0.011);(182.0,0.005);(184.0,0.001);(189.0,0.001);(190.0,0.0);(191.0,0.002);(192.0,0.001);(193.0,0.033);(194.0,0.018);(195.0,0.008);(196.0,0.012);(200.0,0.0);(202.0,0.0);(203.0,0.001);(204.0,0.001);(205.0,0.002);(206.0,0.001);(207.0,0.022);(208.0,0.006);(209.0,0.006);(210.0,0.004);(211.0,0.002);(212.0,0.001);(213.0,0.0);(214.0,0.001);(215.0,0.0);(216.0,0.001);(218.0,0.0);(219.0,0.001);(220.0,0.001);(221.0,0.009);(222.0,0.011);(223.0,0.01);(224.0,0.003);(226.0,0.001);(228.0,0.0);(229.0,0.001);(231.0,0.0);(233.0,0.002);(234.0,0.003);(235.0,0.026);(236.0,0.018);(237.0,1.0);(238.0,0.176);(239.0,0.054);(240.0,0.008);(241.0,0.001);(242.0,0.001);(243.0,0.001);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.001);(248.0,0.0);(250.0,0.001);(251.0,0.041);(252.0,0.169);(253.0,0.034);(254.0,0.009);(255.0,0.002);(256.0,0.001);(257.0,0.001);(258.0,0.001);(259.0,0.001);(260.0,0.001);(268.0,0.001);(269.0,0.001);(270.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.0);(275.0,0.0);(285.0,0.001);(287.0,0.004);(288.0,0.0);(289.0,0.0);(290.0,0.001);(300.0,0.001);(301.0,0.001);(302.0,0.0);(303.0,0.001);(305.0,0.0);(311.0,0.001);(318.0,0.0);(319.0,0.0);(321.0,0.0);(331.0,0.0);(335.0,0.0);(338.0,0.0);(340.0,0.001);(351.0,0.0);(355.0,0.0);(369.0,0.0);(370.0,0.0);(371.0,0.0);(389.0,0.0);(390.0,0.0);(393.0,0.0);(405.0,0.0);(409.0,0.0);(419.0,0.001);(427.0,0.0);(441.0,0.0);(446.0,0.0);(458.0,0.0);(473.0,0.001);(489.0,0.0);(492.0,0.0);(503.0,0.0);(505.0,0.0);(507.0,0.0);(533.0,0.001);(539.0,0.0);(541.0,0.0);(556.0,0.001);(558.0,0.001);(560.0,0.0);(568.0,0.0);(573.0,0.0);(575.0,0.0) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (26.00252462,1.264746279);(28.01817382,2.14311815);(43.00526332,1.477407721);(71.02398572,1.688526489);(80.03689622,2.190343188);(107.047794,3.767693308);(108.0318103,1.702097551);(108.0556186,3.574365159);(109.0634432,10.08685184);(110.0474595,2.178619044);(110.0712678,6.273910445);(122.0348835,1.211402654);(123.0427081,3.044346702);(125.0583573,1.222546704);(137.0583573,4.508967849);(138.0661819,4.087105041);(139.0376222,1.148729162);(149.021973,1.110504144);(151.0376222,3.84991617);(152.0454468,2.973286945);(152.0692551,5.794493841);(153.0532714,4.778682706);(154.061096,1.643299618);(162.0536059,1.716876361);(163.0614305,1.206982068);(164.0328708,3.309031128);(165.0406954,5.799175715);(178.04852,1.037109419);(179.0563446,2.750978386);(180.0641692,11.37784038);(181.0665902,1.081045835) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (26.00252462,1.593821355);(27.01034922,1.194762109);(28.01817382,2.016508413);(43.00526332,1.004561443);(44.01308792,1.138201612);(56.01308792,1.446927528);(71.02398572,1.222434693);(80.03689622,1.588977464);(81.04472082,1.023064485);(82.05254542,0.9928346206);(107.047794,1.522638961);(109.0634432,4.273285652);(110.0474595,2.268434953);(110.0712678,2.46792495);(111.0552841,1.468790269);(123.0427081,1.940976172);(124.0267244,1.022810841);(125.0583573,1.44974392);(137.0583573,3.709746981);(138.0661819,2.754670169);(149.021973,1.043050243);(151.0376222,4.393249204);(152.0454468,2.478787154);(152.0692551,4.232357601);(153.0532714,5.520908294);(154.061096,1.649267201);(162.0536059,1.167387831);(164.0328708,1.732945812);(165.0406954,2.798675196);(179.0563446,1.951601276);(180.0641692,7.460313936) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (180.838,100.0) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (42.19,18.386);(67.0,100.0);(69.0,21.507);(82.95,13.607);(107.91,26.711);(109.9,8.64);(162.84,16.678) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (42.15,86.731);(67.0,100.0);(68.36,38.595);(69.22,20.973) | | LC-MS/MS | EI-B (Unknown) | Positive | Not Available | View Spectrum | (45.0,0.004004004);(46.0,0.002002002);(47.0,0.005005005);(48.0,0.001001001);(49.0,0.001001001);(50.0,0.002002002);(51.0,0.01001001);(52.0,0.002002002);(53.0,0.029029029);(54.0,0.026026026);(55.0,0.2372372372);(56.0,0.001001001);(57.0,0.002002002);(58.0,0.001001001);(64.0,0.002002002);(65.0,0.001001001);(66.0,0.03003003);(67.0,0.2192192192);(68.0,0.032032032);(69.0,0.001001001);(70.0,0.0600600601);(71.0,0.012012012);(72.0,0.004004004);(73.0,0.0);(78.0,0.002002002);(79.0,0.01001001);(80.0,0.029029029);(81.0,0.003003003);(82.0,0.2012012012);(83.0,0.014014014);(84.0,0.002002002);(85.0,0.0);(93.0,0.004004004);(94.0,0.028028028);(95.0,0.01001001);(96.0,0.0);(106.0,0.004004004);(107.0,0.01001001);(108.0,0.0670670671);(109.0,0.025025025);(110.0,0.032032032);(111.0,0.015015015);(112.0,0.008008008);(121.0,0.0);(122.0,0.004004004);(123.0,0.042042042);(124.0,0.014014014);(125.0,0.0);(126.0,0.001001001);(133.0,0.002002002);(134.0,0.01001001);(136.0,0.004004004);(137.0,0.0900900901);(138.0,0.01001001);(139.0,0.004004004);(154.0,0.0);(155.0,0.005005005);(156.0,0.004004004);(157.0,0.001001001);(178.0,0.0);(179.0,0.04004004);(180.0,1.0);(181.0,0.0810810811);(182.0,0.002002002);(183.0,0.004004004);(184.0,0.002002002) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (61.2,0.008008008);(62.6,0.018018018);(68.7,0.012012012);(73.0,0.024024024);(76.8,0.007007007);(80.8,0.004004004);(82.8,0.005005005);(89.2,0.1511511512);(90.0,0.011011011);(91.0,0.02002002);(101.3,0.005005005);(101.8,0.007007007);(105.3,0.011011011);(107.0,0.013013013);(113.3,0.014014014);(114.9,0.003003003);(117.0,0.006006006);(119.0,0.005005005);(120.9,0.1561561562);(123.3,0.04004004);(124.9,0.003003003);(127.1,0.014014014);(131.2,0.019019019);(132.1,0.018018018);(134.8,0.004004004);(136.8,0.004004004);(138.7,0.002002002);(145.2,0.026026026);(146.4,0.008008008);(149.1,0.1331331331);(163.1,0.1571571572);(164.2,0.3263263263);(167.2,0.01001001);(181.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (57.4,0.007007007);(59.2,0.012012012);(61.1,0.017017017);(63.0,0.0510510511);(69.0,0.014014014);(72.2,0.0550550551);(73.1,0.046046046);(75.2,0.008008008);(77.1,0.046046046);(80.8,0.013013013);(89.0,0.0710710711);(89.7,0.041041041);(90.8,0.004004004);(97.2,0.029029029);(99.0,0.047047047);(99.9,0.02002002);(102.1,0.026026026);(103.2,0.008008008);(104.9,0.01001001);(107.0,0.03003003);(107.9,0.034034034);(110.4,0.02002002);(115.1,0.009009009);(117.1,0.016016016);(121.0,0.016016016);(123.2,0.004004004);(127.0,0.012012012);(130.9,0.009009009);(131.8,0.02002002);(135.2,0.034034034);(136.0,0.005005005);(137.2,0.0560560561);(138.0,0.043043043);(145.0,0.017017017);(146.4,0.01001001);(149.3,0.021021021);(163.0,0.1491491491);(164.4,0.035035035);(181.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.7,0.0590590591);(43.2,0.1091091091);(45.0,0.1181181181);(55.1,0.1681681682);(56.0,0.034034034);(57.9,0.0840840841);(58.4,0.042042042);(62.7,0.025025025);(67.0,0.4114114114);(69.0,0.5295295295);(71.3,0.034034034);(71.8,0.1931931932);(72.7,0.2352352352);(73.9,0.1431431431);(76.8,0.0500500501);(79.4,0.034034034);(80.8,0.0500500501);(82.9,0.1761761762);(85.2,0.034034034);(89.1,0.0670670671);(90.8,0.034034034);(94.0,0.1181181181);(95.5,0.0500500501);(96.2,0.2692692693);(97.0,0.0670670671);(99.0,0.2012012012);(100.7,0.034034034);(104.7,0.0500500501);(108.2,0.8988988989);(110.3,0.6466466466);(112.9,0.042042042);(116.5,0.0670670671);(120.8,0.0590590591);(122.2,0.4374374374);(135.0,0.5795795796);(137.1,0.5545545546);(138.0,0.4704704705);(145.6,0.0500500501);(163.0,1.0);(181.3,0.9079079079) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (43.2,0.1091091091);(44.9,0.0680680681);(56.0,0.0680680681);(67.3,1.0);(69.1,0.4354354354);(71.0,0.0540540541);(72.7,0.0880880881);(74.1,0.027027027);(77.0,0.0540540541);(80.7,0.0680680681);(83.0,0.2452452452);(94.0,0.0820820821);(95.2,0.0540540541);(96.0,0.0880880881);(96.7,0.027027027);(98.6,0.0750750751);(107.5,0.0610610611);(108.3,0.3473473473);(109.9,0.1771771772);(122.2,0.3403403403);(122.9,0.0880880881);(134.7,0.1431431431);(137.5,0.048048048);(148.0,0.0610610611);(163.1,0.1021021021) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (42.2,0.1111111111);(55.8,0.0690690691);(66.3,0.0830830831);(66.9,1.0);(67.8,0.1671671672);(69.1,0.5555555556);(72.7,0.0690690691);(83.4,0.0560560561);(84.9,0.0560560561);(94.9,0.1251251251);(122.2,0.1671671672);(123.1,0.1111111111) | | LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (138.067795,322.0);(163.056473,181.0);(181.071869,121.0);(765.733459,309.0);(1081.179077,182.0) | | LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (53.246151,0.466742);(55.901737,0.50531);(57.033035,2.481178);(59.012333,0.963662);(62.007339,0.464743);(70.028404,4.645106);(82.02858,0.554589);(84.044022,37.969417);(85.047379,5.874119);(86.048233,1.052917);(92.994293,5.570698);(98.023331,100.0);(99.020622,0.971603);(99.02668,14.551607);(99.924683,1.032219);(100.027626,9.822135);(101.031197,0.648106);(104.015862,0.583186);(114.873451,0.488188);(128.034058,71.211415);(129.037613,12.849311);(130.038605,11.574368);(131.041473,1.215703);(132.047394,0.645343);(133.057449,0.603906);(134.043396,4.688471);(135.045212,0.771123);(136.050903,0.897708);(137.022751,2.160944);(151.07576,0.766684);(155.101883,0.545568);(156.920258,0.642264);(157.781464,0.581059);(178.03244,36.703643);(178.085526,1.106919);(178.843475,11.572056);(178.899612,5.298082);(178.911469,2.717723);(178.982376,2.151649);(179.01152,0.956528);(179.036057,10.79899);(179.070221,9.247202);(179.107285,1.180942);(179.843643,1.001867);(179.900085,3.189915);(180.065872,3.656832);(196.262283,0.553974);(196.902771,6.080496) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (61.2,0.808625);(62.6,1.752022);(68.7,1.212938);(73.0,2.358491);(76.8,0.673854);(80.8,0.404313);(82.8,0.471698);(89.2,15.09434);(90.0,1.145553);(91.0,1.954178);(101.3,0.471698);(101.8,0.673854);(105.3,1.145553);(107.0,1.347709);(113.3,1.415094);(114.9,0.269542);(117.0,0.606469);(119.0,0.539084);(120.9,15.566038);(123.3,4.043127);(124.9,0.269542);(127.1,1.415094);(131.2,1.886792);(132.1,1.819407);(134.8,0.404313);(136.8,0.404313);(138.7,0.202156);(145.2,2.560647);(146.4,0.808625);(149.1,13.274933);(163.1,15.700809);(164.2,32.681941);(167.2,1.010782);(181.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (57.4,0.656168);(59.2,1.181102);(61.1,1.706037);(63.0,5.11811);(69.0,1.44357);(72.2,5.511811);(73.1,4.593176);(75.2,0.787402);(77.1,4.593176);(80.8,1.312336);(89.0,7.086614);(89.7,4.068241);(90.8,0.393701);(97.2,2.887139);(99.0,4.724409);(99.9,1.968504);(102.1,2.624672);(103.2,0.787402);(104.9,1.049869);(107.0,3.018373);(107.9,3.412073);(110.4,1.968504);(115.1,0.918635);(117.1,1.574803);(121.0,1.574803);(123.2,0.393701);(127.0,1.181102);(130.9,0.918635);(131.8,1.968504);(135.2,3.412073);(136.0,0.524934);(137.2,5.643045);(138.0,4.330709);(145.0,1.706037);(146.4,1.049869);(149.3,2.099738);(163.0,14.96063);(164.4,3.543307);(181.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.7,5.882353);(43.2,10.92437);(45.0,11.764706);(55.1,16.806723);(56.0,3.361345);(57.9,8.403361);(58.4,4.201681);(62.7,2.521008);(67.0,41.176471);(69.0,52.941176);(71.3,3.361345);(71.8,19.327731);(72.7,23.529412);(73.9,14.285714);(76.8,5.042017);(79.4,3.361345);(80.8,5.042017);(82.9,17.647059);(85.2,3.361345);(89.1,6.722689);(90.8,3.361345);(94.0,11.764706);(95.5,5.042017);(96.2,26.890756);(97.0,6.722689);(99.0,20.168067);(100.7,3.361345);(104.7,5.042017);(108.2,89.915966);(110.3,64.705882);(112.9,4.201681);(116.5,6.722689);(120.8,5.882353);(122.2,43.697479);(135.0,57.983193);(137.1,55.462185);(138.0,47.058824);(145.6,5.042017);(163.0,100.0);(181.3,90.756303) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (43.2,10.884354);(44.9,6.802721);(56.0,6.802721);(67.3,100.0);(69.1,43.537415);(71.0,5.442177);(72.7,8.843537);(74.1,2.721088);(77.0,5.442177);(80.7,6.802721);(83.0,24.489796);(94.0,8.163265);(95.2,5.442177);(96.0,8.843537);(96.7,2.721088);(98.6,7.482993);(107.5,6.122449);(108.3,34.693878);(109.9,17.687075);(122.2,34.013605);(122.9,8.843537);(134.7,14.285714);(137.5,4.761905);(148.0,6.122449);(163.1,10.204082) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (42.2,11.111111);(55.8,6.944444);(66.3,8.333333);(66.9,100.0);(67.8,16.666667);(69.1,55.555556);(72.7,6.944444);(83.4,5.555556);(84.9,5.555556);(94.9,12.5);(122.2,16.666667);(123.1,11.111111) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (181.0718,100.0);(182.074,5.72798) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (96.0557,4.59813);(108.0553,18.36315);(109.0472,1.42911);(110.0707,17.67156);(111.0652,1.44459);(113.0325,1.61175);(122.0582,7.21228);(135.0659,21.15621);(136.0598,1.17864);(137.0809,22.76368);(138.0651,42.53672);(139.0673,2.24192);(163.0598,39.91989);(164.0608,3.27637);(181.0709,100.0);(182.0728,7.13218) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (54.0298,1.58374);(56.049,4.49757);(57.0449,1.01638);(67.0282,100.0);(68.0364,9.30825);(69.0439,42.63956);(70.0294,1.60498);(79.0293,5.6068);(81.0432,10.30947);(82.0513,1.85316);(83.0604,31.63835);(85.0407,2.66323);(93.0401,3.67354);(94.0398,10.14563);(95.021,1.91566);(95.0482,11.58981);(96.0563,9.24757);(97.039,1.08799);(107.0326,3.28034);(108.0554,55.67354);(109.039,4.45995);(110.0713,31.59587);(111.0547,1.61893);(113.0344,6.04672);(120.0487,3.21784);(121.0555,1.37561);(122.0589,70.02427);(123.0424,18.54369);(135.066,14.49636);(137.0823,8.87136);(138.0668,18.82282);(141.0509,1.21723);(148.039,7.6699);(163.0611,19.72694);(181.0719,10.10922) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (54.0306,4.02508);(56.0487,5.55602);(66.0227,6.77926);(67.0283,100.0);(68.0357,37.72575);(69.0442,32.66722);(70.0298,1.34448);(79.0286,6.99666);(80.0327,1.41472);(81.0411,12.5);(82.0503,3.43395);(83.0605,17.10702);(85.0387,1.13712);(93.032,7.9699);(94.0406,9.52341);(95.0481,13.70401);(96.0553,1.31187);(107.0354,6.54013);(108.0567,12.67559);(109.0395,2.1413);(110.0723,4.53261);(120.0437,3.01254);(121.0514,3.25084);(122.0584,27.77592);(123.0422,13.97993);(135.0695,1.42391);(148.0387,3.04933) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (53.0143,3.06413);(54.0268,4.63731);(55.0372,1.41677);(56.0483,6.78787);(65.0166,1.14891);(66.0201,17.80376);(67.0282,100.0);(68.0362,45.05756);(69.007,1.37676);(69.0451,24.04531);(69.992,3.06961);(70.0283,1.05847);(79.0258,7.67586);(80.0272,2.17248);(81.0425,8.34095);(82.0541,2.54888);(83.024,1.01316);(83.0611,4.24265);(92.0228,2.19075);(93.0056,1.17997);(93.03,6.31281);(94.0419,17.01809);(95.0461,6.65083);(107.0339,4.32487);(108.0567,2.66399);(120.0429,1.54888);(121.0477,1.53974);(122.0604,8.2167);(123.0438,4.80724);(148.0348,1.06742) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (137.0806,2.481122);(138.0666,23.300971);(163.0563,7.227616);(181.0704,100.0);(181.113,2.481122) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (108.0543,21.472393);(110.0707,74.846626);(135.0664,19.631902);(137.0823,30.06135);(138.0642,100.0);(138.0709,28.834356);(163.0588,46.625767);(181.0716,71.165644) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (51.806496,0.342499);(53.196213,0.391645);(54.746548,0.34837);(55.188103,0.46498);(56.050228,0.751678);(56.965538,0.759595);(69.322006,0.358035);(70.065628,0.393487);(70.436623,0.355099);(71.538567,1.667297);(71.540703,1.820226);(72.044937,0.447518);(73.028999,0.506718);(77.492073,0.362445);(83.060921,0.901388);(96.714592,0.781207);(97.076317,2.031512);(97.296867,0.373006);(98.97567,43.501027);(99.092117,0.418062);(100.076111,0.494601);(102.055191,2.738003);(110.071541,0.394711);(111.055519,1.861032);(111.091866,9.560175);(112.087013,0.436199);(113.071144,0.83788);(113.107475,2.041274);(116.972115,5.220096);(116.986015,64.688444);(121.101082,0.568924);(121.726761,0.430633);(123.080002,0.415299);(123.091408,0.538557);(123.494171,0.396446);(125.071053,0.706827);(126.34053,0.370321);(127.30661,0.397519);(134.996353,100.0);(135.116455,0.798695);(138.102615,3.573048);(138.973633,0.479919);(139.987473,3.198767);(140.001663,14.907734);(140.00676,0.749208);(141.526779,0.397315);(146.684372,0.450283);(153.006805,12.312763);(153.113739,0.536859);(158.012314,28.203135);(163.11171,0.750147);(163.683502,0.484816);(175.084396,0.424595);(176.02272,3.06052);(179.061737,0.438622);(180.103439,0.499466);(180.112701,0.481512);(180.14917,1.900045);(181.028336,5.421272);(181.059006,0.556232);(181.071945,1.955338);(181.085068,0.523156);(181.09697,0.459826);(181.108383,8.264389);(181.122025,4.155508);(181.13324,7.970877);(181.144501,38.335206);(181.169617,5.032436);(182.008911,2.229344);(200.29007,0.403875) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (122.074265,3.292318);(123.057724,3.558364);(136.065048,2.49418);(137.093048,2.926505);(138.078415,12.138344);(163.073792,5.620219);(181.082748,100.0);(182.085342,9.477885) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (108.0543,21.47);(110.0707,74.85);(135.0664,19.63);(137.0823,30.06);(138.0642,100.0);(138.0709,28.83);(163.0588,46.63);(181.0716,71.17) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (137.0806,2.48);(138.0666,23.3);(163.0563,7.23);(181.0704,100.0);(181.113,2.48) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0298,1.58);(56.049,4.5);(57.0449,1.02);(67.0282,100.0);(68.0364,9.31);(69.0439,42.64);(70.0294,1.6);(79.0293,5.61);(81.0432,10.31);(82.0513,1.85);(83.0604,31.64);(85.0407,2.66);(93.0401,3.67);(94.0398,10.15);(95.021,1.92);(95.0482,11.59);(96.0563,9.25);(97.039,1.09);(107.0326,3.28);(108.0554,55.67);(109.039,4.46);(110.0713,31.6);(111.0547,1.62);(113.0344,6.05);(120.0487,3.22);(121.0555,1.38);(122.0589,70.02);(123.0424,18.54);(135.066,14.5);(137.0823,8.87);(138.0668,18.82);(141.0509,1.22);(148.039,7.67);(163.0611,19.73);(181.0719,10.11) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (181.0715,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (83.0599,2.46);(108.0548,1.97);(110.0709,6.53);(137.0814,2.1);(138.0655,12.92);(163.0614,6.16);(181.0716,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (124.0506,12.65);(149.0233,4.25);(163.039,2.25);(181.072,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.0447,3.45);(96.0557,9.95);(124.0506,95.68);(137.0822,3.16);(142.0612,7.29);(149.0234,8.81);(163.039,4.22);(181.0721,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (124.0506,8.68);(149.0233,3.59);(163.039,2.03);(181.072,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0214,2.8);(70.0286,5.5);(79.0287,11.1);(80.0133,3.5);(81.0444,13.9);(82.0518,8.9);(83.06,100.0);(85.0389,24.6);(93.0324,7.9);(94.038,6.5);(95.0483,9.7);(96.0551,3.1);(108.0559,15.5);(110.0706,20.4);(122.0588,18.6);(123.0423,16.0);(124.0457,2.2);(138.0646,11.1);(148.0383,5.7);(154.0619,2.9);(163.0622,8.6);(167.0568,2.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.0447,14.19);(83.0241,1.46);(96.0557,26.27);(97.0396,1.38);(110.0714,1.25);(121.0284,1.52);(124.0507,100.0);(137.0822,2.09);(142.0612,10.91);(149.0234,4.28);(163.0392,1.6);(181.0721,24.84) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.0146,1.58);(65.9986,77.57);(67.0302,15.66);(68.0142,1.22);(69.0095,10.93);(79.0176,79.98);(92.0254,13.94);(94.0411,93.49);(107.0125,5.65);(109.0282,2.36);(120.0203,7.25);(121.0284,2.69);(122.036,100.0);(123.0075,6.45);(124.0154,2.16);(135.0313,66.49);(136.039,8.72);(140.0466,1.7);(164.0341,82.76);(179.0577,5.97) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (92.99437,2.04);(136.01587,1.06);(156.9196,2.7);(178.04279,2.53);(179.05673,100.0);(180.06227,3.35);(196.90341,2.44) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,8.87);(65.0386,12.37);(67.029,100.0);(69.0447,52.59);(79.0542,4.36);(81.0447,4.81);(83.0603,23.15);(93.07,3.25);(94.04,8.21);(95.049,6.94);(96.0557,17.16);(108.0556,62.58);(109.0397,4.88);(110.0713,51.73);(113.0346,5.9);(121.0285,12.3);(122.0587,44.0);(123.0428,8.08);(133.0285,4.32);(135.0666,31.24);(137.0823,19.68);(138.0662,45.98);(148.0379,2.28);(149.0234,13.17);(163.0615,27.73);(167.0555,6.67);(181.0719,42.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.04142,1.6);(83.07103,2.1);(93.05548,3.8);(95.98497,3.5);(103.00653,2.8);(108.06745,3.3);(109.04856,3.6);(110.085,6.3);(110.70529,1.1);(113.04507,1.7);(116.9418,1.9);(121.01866,3.8);(131.00381,1.1);(137.09496,12.3);(138.07891,100.0);(139.97484,1.4);(148.0509,1.3);(149.26787,1.2);(163.07559,14.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (65.0386,13.19);(69.0447,100.0);(81.0448,3.67);(83.024,7.76);(93.045,2.09);(94.04,8.38);(95.0492,3.5);(96.0556,64.46);(97.0397,3.95);(108.0557,1.34);(109.0271,9.24);(110.0714,1.02);(111.0441,1.92);(113.0346,1.09);(121.0283,3.1);(122.0587,1.31);(124.0506,59.35);(133.0284,1.27);(135.044,1.07);(140.0456,1.37);(142.0611,7.4);(149.0236,2.32);(181.0718,1.29) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.9986,15.97);(67.0302,5.33);(69.0094,1.97);(79.0176,23.43);(92.0254,3.4);(94.0411,41.5);(107.0126,1.39);(120.0203,2.5);(121.0282,2.61);(122.036,84.31);(123.0073,1.64);(124.0152,1.52);(135.0075,33.23);(136.0391,7.29);(140.0466,2.3);(164.034,100.0);(179.0575,15.74) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,2.9);(65.0385,1.5);(67.0291,27.63);(69.0447,19.52);(79.0541,1.9);(83.0603,8.61);(93.0698,1.8);(94.04,3.5);(96.0557,10.31);(108.0556,38.34);(110.0713,36.04);(113.0346,3.7);(121.0286,7.51);(122.0587,16.72);(123.0428,2.0);(124.0506,1.8);(133.0285,2.7);(135.0665,33.43);(137.0823,34.43);(138.0662,58.36);(148.0376,1.1);(149.0234,18.92);(163.0614,23.52);(167.0557,6.51);(181.0721,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.9985,2.53);(67.0301,1.06);(79.0176,5.32);(94.0411,14.64);(122.036,59.1);(135.0075,9.63);(136.039,3.17);(140.0465,3.75);(164.034,100.0);(179.0575,42.01) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.042,29.9);(43.04995,4.1);(56.06048,4.8);(69.05435,8.9);(70.03812,1.8);(83.0711,19.4);(85.05034,5.2);(94.0487,1.4);(96.06727,6.4);(98.97333,2.6);(106.98484,2.1);(108.06701,19.5);(109.0487,3.1);(110.08286,20.9);(111.09094,2.4);(113.04638,9.5);(120.06809,1.6);(122.07101,8.9);(123.05257,1.8);(132.96422,2.7);(135.07872,4.8);(137.09579,11.7);(138.07881,100.0);(163.07332,11.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (122.036,2.98);(140.0466,1.07);(164.0341,10.88);(179.0575,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (94.041,2.46);(122.036,26.44);(135.0074,1.13);(140.0466,3.5);(164.034,61.83);(179.0575,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0214,2.7);(70.0286,5.41);(79.0287,11.01);(80.0133,3.4);(81.0444,13.81);(82.0518,8.81);(83.06,100.0);(85.0389,24.52);(93.0324,7.81);(94.038,6.41);(95.0483,9.61);(96.0551,3.0);(108.0559,15.42);(110.0706,20.32);(122.0588,18.52);(123.0423,15.92);(124.0457,2.1);(138.0646,11.01);(148.0383,5.61);(154.0619,2.8);(163.0622,8.51);(167.0568,2.4) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.97734,4.0);(42.04194,100.0);(43.47033,1.7);(45.00075,3.1);(52.02784,1.4);(53.02291,14.1);(54.04342,12.0);(54.95622,6.7);(56.0601,6.7);(57.05332,6.1);(67.03955,66.8);(68.04796,10.7);(69.0552,27.7);(70.03898,2.7);(83.07094,53.1);(85.04918,5.2);(85.6063,1.4);(93.05626,2.0);(94.05154,5.3);(95.05915,3.6);(96.07884,6.7);(107.03373,3.4);(108.07048,1.6);(110.08415,7.5);(111.357,1.2);(117.15847,2.6);(122.07041,9.3);(123.05454,12.9);(135.07763,2.4);(148.0467,2.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,8.81);(65.0386,12.31);(67.029,100.0);(69.0447,52.55);(79.0542,4.3);(81.0447,4.8);(83.0603,23.12);(93.07,3.2);(94.04,8.21);(95.049,6.91);(96.0557,17.12);(108.0556,62.56);(109.0397,4.8);(110.0713,51.65);(113.0346,5.81);(121.0285,12.21);(122.0587,43.94);(123.0428,8.01);(133.0285,4.3);(135.0666,31.23);(137.0823,19.62);(138.0662,45.95);(148.0379,2.2);(149.0234,13.11);(163.0615,27.73);(167.0555,6.61);(181.0719,42.84) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03454,30.8);(57.06045,6.3);(67.03071,16.0);(69.04699,27.1);(82.05236,9.7);(83.06013,37.1);(85.04141,11.7);(96.05627,51.7);(108.05713,27.2);(110.07109,69.9);(113.03252,10.6);(122.07659,10.9);(135.06505,40.1);(137.10204,1.6);(138.06753,100.0);(163.05766,24.8);(164.06709,3.1);(181.07549,59.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03499,100.0);(54.03599,26.4);(56.05953,13.4);(67.03236,81.9);(68.03724,31.5);(69.04692,27.4);(70.02912,13.7);(79.0307,24.1);(81.04493,8.8);(96.05515,12.4);(107.03629,7.0);(107.72457,3.6);(122.06015,36.6);(133.05071,2.1);(148.05402,11.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (56.0495,7.21);(65.0386,22.32);(67.0291,100.0);(69.0447,38.34);(79.0543,3.7);(81.0447,4.8);(83.0604,18.12);(94.04,5.21);(95.0493,9.71);(96.0556,5.31);(108.0556,26.33);(109.0397,2.6);(110.0714,17.42);(113.0345,2.0);(121.0285,4.0);(122.0587,30.53);(123.0428,7.51);(135.0665,4.9);(137.0823,3.7);(138.0663,10.41);(148.0381,3.7);(149.0233,2.4);(163.0613,7.61);(167.0556,2.9);(181.0721,6.01) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.05836,1.3);(110.07162,5.6);(135.07875,1.1);(137.0798,1.4);(138.06596,16.0);(163.06089,3.3);(181.07186,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (67.0291,1.2);(69.0447,2.0);(96.0557,1.9);(108.0557,3.7);(110.0713,5.91);(121.0284,1.3);(122.0587,1.4);(135.0666,6.51);(137.0823,11.11);(138.0663,20.32);(149.0234,11.31);(163.0389,5.01);(167.0556,1.9);(181.0721,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (122.0359,2.16);(164.034,8.24);(179.0574,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.0143,3.06);(54.0268,4.64);(55.0372,1.42);(56.0483,6.79);(65.0166,1.15);(66.0201,17.8);(67.0282,100.0);(68.0362,45.06);(69.0451,24.05);(69.992,3.07);(79.0258,7.68);(80.0272,2.17);(81.0425,8.34);(82.0541,2.55);(83.0611,4.24);(92.0228,2.19);(93.03,6.31);(94.0419,17.02);(95.0461,6.65);(107.0339,4.32);(108.0567,2.66);(120.0429,1.55);(121.0477,1.54);(122.0604,8.22);(123.0438,4.81);(148.0348,1.07) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.9688,6.79);(42.0334,90.11);(44.9901,12.81);(53.0118,4.5);(54.0201,4.29);(56.049,15.83);(67.0293,62.88);(68.0375,14.91);(69.0445,56.37);(72.9865,12.17);(75.0012,5.69);(79.0292,3.36);(81.0434,7.33);(83.0611,32.21);(84.9602,42.76);(86.9536,3.51);(93.0118,12.74);(94.0384,3.8);(95.0221,1.66);(96.0565,14.39);(102.9967,3.95);(108.0564,45.52);(109.0396,3.72);(110.072,50.86);(110.8834,1.91);(113.0353,8.14);(116.9769,14.67);(119.5618,3.85);(122.0596,31.9);(123.0405,14.83);(135.0658,20.98);(137.0813,39.24);(138.0663,100.0);(140.0489,2.81);(163.0622,38.21);(181.0721,78.69) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.9688,1.65);(42.0333,100.0);(43.0416,2.38);(43.9831,1.62);(44.9911,11.39);(52.0163,3.4);(53.0127,12.86);(54.0219,5.56);(55.0407,1.96);(56.0497,7.06);(60.9858,2.09);(67.0293,37.94);(68.0371,11.55);(69.045,13.94);(69.9901,1.86);(72.9864,2.87);(79.0294,4.61);(81.0437,4.44);(82.0494,2.83);(83.0619,8.23);(84.9602,4.78);(86.9145,1.03);(95.0499,2.64);(108.0573,4.31);(109.8862,1.03);(111.0493,1.37);(121.0536,2.27);(122.0583,4.93);(123.0433,7.47);(135.0684,1.7);(148.0299,1.16) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (84.9611,1.63);(110.072,1.2);(116.9772,1.26);(121.0072,1.07);(137.0834,2.02);(138.0659,5.11);(163.0605,2.41);(181.072,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0298,1.58);(56.049,4.5);(57.0449,1.02);(67.0282,100.0);(68.0364,9.31);(69.0439,42.64);(70.0294,1.6);(79.0293,5.61);(81.0432,10.31);(82.0513,1.85);(83.0604,31.64);(85.0407,2.66);(93.0401,3.67);(94.0398,10.15);(95.0482,11.59);(96.0563,9.25);(97.039,1.09);(107.0326,3.28);(108.0554,55.67);(109.039,4.46);(110.0713,31.6);(111.0547,1.62);(113.0344,6.05);(120.0487,3.22);(121.0555,1.38);(122.0589,70.02);(123.0424,18.54);(135.066,14.5);(137.0823,8.87);(138.0668,18.82);(141.0509,1.22);(148.039,7.67);(163.0611,19.73);(181.0719,10.11) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0306,4.03);(56.0487,5.56);(66.0227,6.78);(67.0283,100.0);(68.0357,37.73);(69.0442,32.67);(70.0298,1.34);(79.0286,7.0);(80.0327,1.41);(81.0411,12.5);(82.0503,3.43);(83.0605,17.11);(85.0387,1.14);(93.032,7.97);(94.0406,9.52);(95.0481,13.7);(96.0553,1.31);(107.0354,6.54);(108.0567,12.68);(109.0395,2.14);(110.0723,4.53);(120.0437,3.01);(121.0514,3.25);(122.0584,27.78);(123.0422,13.98);(135.0695,1.42);(148.0387,3.05) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (96.0557,4.6);(108.0553,18.36);(109.0472,1.43);(110.0707,17.67);(111.0652,1.44);(113.0325,1.61);(122.0582,7.21);(135.0659,21.16);(136.0598,1.18);(137.0809,22.76);(138.0651,42.54);(139.0673,2.24);(163.0598,39.92);(164.0608,3.28);(181.0709,100.0);(182.0728,7.13) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.0143,3.06);(54.0268,4.64);(55.0372,1.42);(56.0483,6.79);(65.0166,1.15);(66.0201,17.8);(67.0282,100.0);(68.0362,45.06);(69.007,1.38);(69.0451,24.05);(69.992,3.07);(70.0283,1.06);(79.0258,7.68);(80.0272,2.17);(81.0425,8.34);(82.0541,2.55);(83.024,1.01);(83.0611,4.24);(92.0228,2.19);(93.0056,1.18);(93.03,6.31);(94.0419,17.02);(95.0461,6.65);(107.0339,4.32);(108.0567,2.66);(120.0429,1.55);(121.0477,1.54);(122.0604,8.22);(123.0438,4.81);(148.0348,1.07) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (54.0306,4.0);(56.0487,5.61);(66.0227,6.81);(67.0283,100.0);(68.0357,37.74);(69.0442,32.63);(70.0298,1.3);(79.0286,7.01);(80.0327,1.4);(81.0411,12.51);(82.0503,3.4);(83.0605,17.12);(85.0387,1.1);(93.032,8.01);(94.0406,9.51);(95.0481,13.71);(96.0553,1.3);(107.0354,6.51);(108.0567,12.71);(109.0395,2.1);(110.0723,4.5);(120.0437,3.0);(121.0514,3.2);(122.0584,27.73);(123.0422,14.01);(135.0695,1.4);(148.0387,3.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (181.0718,100.0);(182.074,5.73) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (28.01872406,0.0000767166);(44.01363868,0.0005428899);(54.03437413,0.0000161942);(55.0296231,0.0044811539);(56.05002419,0.0000017549);(57.04527316,0.0000262022);(59.06092322,0.0000039934);(70.02928875,0.0000003586);(72.0085533,0.0000055342);(73.04018778,0.0000009379);(81.04527316,0.0002194708);(82.02928875,0.0000297489);(83.06092322,0.0020527342);(84.04493881,0.0000033333);(96.0085533,0.0000057404);(97.04018778,0.0000107745);(98.02420337,0.0000022222);(99.01945234,0.0008484476);(109.0401878,0.0000307057);(110.0718223,0.0758815565);(111.0194523,0.0000020813);(111.0558378,0.0019335216);(122.0354367,0.0001144807);(123.0194523,0.0000066183);(125.0351024,0.0010336387);(127.0507525,0.0024463128);(138.0303514,0.00068192);(138.0667369,0.2220250156);(152.0460014,0.0731952222);(154.0616515,0.3148314384);(181.0725505,99.29948928) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.0005701607);(28.01872406,0.0007372279);(29.03912516,0.0005325245);(30.03437413,0.0007093722);(44.01363868,0.0710540869);(54.03437413,0.5763311814);(55.0296231,0.1865149739);(56.05002419,0.2024277057);(57.04527316,0.2142312722);(72.0085533,0.0008577911);(81.04527316,0.1415669064);(82.02928875,0.1658641566);(83.06092322,2.409927085);(84.04493881,0.1640709536);(96.0085533,0.0041651926);(97.04018778,0.0026906798);(98.02420337,0.0025294567);(99.01945234,0.0214962957);(109.0401878,0.0097783214);(110.0718223,16.15191889);(111.0194523,0.0058378916);(111.0558378,0.0506997792);(122.0354367,0.0382336743);(123.0194523,0.0009447374);(125.0351024,0.0117574771);(127.0507525,0.1348798052);(138.0303514,0.0489868662);(138.0667369,4.692163431);(152.0460014,0.6975452463);(154.0616515,0.9196729499);(181.0725505,73.07130391) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,0.3852559417);(28.01872406,0.3941441623);(29.03912516,0.3013522954);(30.03437413,0.1556753575);(44.01363868,1.106000641);(54.03437413,19.07126861);(55.0296231,4.887602691);(56.05002419,11.43733054);(57.04527316,5.231360459);(70.02928875,0.2059897144);(81.04527316,0.9470637774);(82.02928875,0.6230472086);(83.06092322,29.2626906);(84.04493881,0.2449976722);(96.0085533,0.2064463983);(97.04018778,0.6032973545);(98.02420337,0.2797614054);(99.01945234,0.1984555145);(109.0401878,1.162585365);(110.0718223,8.20374493);(111.0194523,0.7816795746);(111.0558378,2.302072094);(122.0354367,0.1933931511);(123.0194523,0.3623458599);(125.0351024,2.849616851);(127.0507525,0.5769382493);(138.0303514,0.9940870035);(138.0667369,2.27516941);(152.0460014,1.213156364);(154.0616515,2.610207475);(181.0725505,0.9332633302) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (26.003074,0.0013795598);(28.01872406,0.0025152949);(41.99798862,4.598200653);(52.01872406,0.0015643227);(53.01397303,0.0613706663);(54.03437413,0.0003131978);(55.0296231,0.0025746516);(69.99290324,0.0020771079);(79.0296231,0.0001407118);(80.01363868,0.0227452037);(81.04527316,0.0407095411);(93.99290324,0.0000907085);(96.0085533,0.0000301122);(97.00380227,0.0226208144);(99.01945234,0.0002365867);(107.0245377,0.0191493974);(108.0561722,0.3428912597);(109.0038023,0.0001298403);(109.0401878,0.126400823);(120.0197867,0.1207908356);(121.0038023,0.0000823393);(123.0194523,0.000618894);(125.0351024,0.0605967899);(136.0147013,0.0116221898);(136.0510868,15.07348627);(150.0303514,0.4436317377);(152.0460014,0.8703544288);(179.0569005,78.17367606) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (26.003074,0.4620797967);(28.01872406,0.0406903749);(41.99798862,6.145235423);(52.01872406,0.0818592177);(53.01397303,0.1107722887);(54.03437413,0.0528229584);(55.0296231,0.1527876919);(69.99290324,0.1021588407);(79.0296231,0.1503002491);(80.01363868,0.0358021831);(81.04527316,0.9744149146);(93.99290324,0.0035232286);(96.0085533,0.0018437311);(97.00380227,0.3329266582);(99.01945234,0.1325254156);(107.0245377,0.0330554731);(108.0561722,8.179125337);(109.0038023,0.0068204025);(109.0401878,1.365129582);(120.0197867,0.8105738705);(121.0038023,0.003557268);(123.0194523,0.046526046);(125.0351024,0.1951480342);(136.0147013,0.3151828898);(136.0510868,25.40493595);(150.0303514,2.298163429);(152.0460014,4.096596704);(179.0569005,48.46544204) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (26.003074,0.0369635769);(28.01872406,0.3791975052);(41.99798862,42.70232183);(52.01872406,1.468813961);(53.01397303,2.910481739);(54.03437413,0.5829898316);(55.0296231,16.39990533);(69.99290324,1.224871417);(79.0296231,0.3250469439);(80.01363868,0.2809286701);(81.04527316,3.59336263);(93.99290324,1.697522529);(96.0085533,0.5426643188);(97.00380227,0.4367062117);(99.01945234,0.4555739697);(107.0245377,0.3448600125);(108.0561722,7.272813552);(109.0038023,0.1260884279);(109.0401878,1.997402109);(120.0197867,2.951599554);(121.0038023,0.2276746671);(123.0194523,1.163584699);(125.0351024,0.1183076564);(136.0147013,0.680084292);(136.0510868,4.95604453);(150.0303514,5.625627788);(152.0460014,0.6160786091);(179.0569005,0.8824836471) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (81.04472,7.66);(81.04472,7.66);(81.04472,7.66);(81.04472,7.66);(110.07127,22.31);(110.07127,22.31);(110.07127,22.31);(110.07127,22.31);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0);(181.072,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (42.03383,100.0);(69.04472,20.42);(69.04472,20.42);(69.04472,20.42);(81.04472,42.25);(81.04472,42.25);(81.04472,42.25);(81.04472,42.25);(83.06037,47.81);(83.06037,47.81);(83.06037,47.81);(83.06037,47.81);(83.06037,47.81);(110.07127,20.9);(110.07127,20.9);(110.07127,20.9);(110.07127,20.9) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.99854,60.49);(81.04582,41.3);(81.04582,41.3);(81.04582,41.3);(108.05672,71.67);(108.05672,71.67);(108.05672,71.67);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0);(179.05745,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.99854,100.0);(52.01927,11.44);(54.03492,16.6);(81.04582,29.18);(81.04582,29.18);(81.04582,29.18);(108.05672,20.62);(108.05672,20.62);(108.05672,20.62);(152.04655,7.86);(152.04655,7.86);(152.04655,7.86);(152.04655,7.86);(152.04655,7.86);(152.04655,7.86);(152.04655,7.86) |
| 
