| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.058);(72.0,0.237);(76.0,0.099);(77.0,0.327);(83.0,0.099);(91.0,0.06);(99.0,0.095);(103.0,0.09);(105.0,0.087);(115.0,0.094);(117.0,0.067);(119.0,0.074);(131.0,0.145);(133.0,0.414);(134.0,0.063);(135.0,0.111);(137.0,0.138);(151.0,0.044);(163.0,0.085);(165.0,0.204);(177.0,0.066);(178.0,0.053);(179.0,0.107);(189.0,0.07);(191.0,0.129);(192.0,0.04);(193.0,0.376);(194.0,0.061);(195.0,0.053);(203.0,0.056);(205.0,0.045);(207.0,0.166);(209.0,0.047);(223.0,0.045);(237.0,0.043);(249.0,0.037);(251.0,0.046);(253.0,0.057);(265.0,0.041);(269.0,0.024);(279.0,0.041);(281.0,0.074);(283.0,0.031);(295.0,0.047);(323.0,0.036);(324.0,0.037);(325.0,0.036);(341.0,0.047);(343.0,0.019);(353.0,0.031);(355.0,0.035);(357.0,0.029);(367.0,0.034);(369.0,0.039);(383.0,0.045);(385.0,0.051);(393.0,0.047);(394.0,0.028);(395.0,0.031);(397.0,0.037);(399.0,0.033);(411.0,0.032);(412.0,0.034);(413.0,0.041);(414.0,0.037);(415.0,0.158);(416.0,0.051);(427.0,0.03);(429.0,0.045);(430.0,0.024);(455.0,0.034);(456.0,0.033);(457.0,0.062);(458.0,0.042);(469.0,0.036);(470.0,0.033);(471.0,0.046);(473.0,0.028);(483.0,0.031);(484.0,0.042);(485.0,0.073);(486.0,0.077);(487.0,0.249);(488.0,0.121);(489.0,0.056);(499.0,0.029);(500.0,0.028);(501.0,0.034);(503.0,0.042);(529.0,0.059);(530.0,0.037);(531.0,0.031);(543.0,0.033);(545.0,0.033);(546.0,0.044);(547.0,0.031);(556.0,0.044);(557.0,0.17);(558.0,0.295);(559.0,1.0);(560.0,0.572);(561.0,0.315);(562.0,0.123);(563.0,0.039);(571.0,0.031);(572.0,0.042);(573.0,0.095);(574.0,0.078);(575.0,0.169);(576.0,0.104);(577.0,0.069);(578.0,0.039);(589.0,0.032);(590.0,0.023) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.058);(72.0,0.237);(76.0,0.099);(77.0,0.327);(83.0,0.099);(91.0,0.06);(99.0,0.095);(103.0,0.09);(105.0,0.087);(115.0,0.094);(117.0,0.067);(119.0,0.074);(131.0,0.145);(133.0,0.414);(134.0,0.063);(135.0,0.111);(137.0,0.138);(151.0,0.044);(163.0,0.085);(165.0,0.204);(177.0,0.066);(178.0,0.053);(179.0,0.107);(189.0,0.07);(191.0,0.129);(192.0,0.04);(193.0,0.376);(194.0,0.061);(195.0,0.053);(203.0,0.056);(205.0,0.045);(207.0,0.166);(209.0,0.047);(223.0,0.045);(237.0,0.043);(249.0,0.037);(251.0,0.046);(253.0,0.057);(265.0,0.041);(269.0,0.024);(279.0,0.041);(281.0,0.074);(283.0,0.031);(295.0,0.047);(323.0,0.036);(324.0,0.037);(325.0,0.036);(341.0,0.047);(343.0,0.019);(353.0,0.031);(355.0,0.035);(357.0,0.029);(367.0,0.034);(369.0,0.039);(383.0,0.045);(385.0,0.051);(393.0,0.047);(394.0,0.028);(395.0,0.031);(397.0,0.037);(399.0,0.033);(411.0,0.032);(412.0,0.034);(413.0,0.041);(414.0,0.037);(415.0,0.158);(416.0,0.051);(427.0,0.03);(429.0,0.045);(430.0,0.024);(455.0,0.034);(456.0,0.033);(457.0,0.062);(458.0,0.042);(469.0,0.036);(470.0,0.033);(471.0,0.046);(473.0,0.028);(483.0,0.031);(484.0,0.042);(485.0,0.073);(486.0,0.077);(487.0,0.249);(488.0,0.121);(489.0,0.056);(499.0,0.029);(500.0,0.028);(501.0,0.034);(503.0,0.042);(529.0,0.059);(530.0,0.037);(531.0,0.031);(543.0,0.033);(545.0,0.033);(546.0,0.044);(547.0,0.031);(556.0,0.044);(557.0,0.17);(558.0,0.295);(559.0,1.0);(560.0,0.572);(561.0,0.315);(562.0,0.123);(563.0,0.039);(571.0,0.031);(572.0,0.042);(573.0,0.095);(574.0,0.078);(575.0,0.169);(576.0,0.104);(577.0,0.069);(578.0,0.039);(589.0,0.032);(590.0,0.023) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (108.020578,1.868114043);(110.0362272,2.359636595);(121.0284026,1.734939155);(136.0154921,8.338679609);(137.0233167,5.290640523);(138.0311413,5.297207039);(139.0389659,1.838073324);(140.0467905,1.545721835);(150.0311413,1.978389222);(164.0104062,1.75558158);(165.0182308,2.797932238);(166.0260554,2.361945787);(218.0209695,1.601120687);(230.0209695,1.826551438);(231.0287941,1.753777442);(232.0366187,2.415793362);(244.0366187,2.254437747);(245.0444433,1.911530826);(246.0522679,2.469330359);(256.0002344,1.551938463);(258.0158836,3.319246271);(260.0315328,2.098904905);(270.0158836,1.625047359);(271.0237082,2.07219595);(272.0315328,6.149118254);(273.0393574,5.994533776);(274.047182,9.315707006);(284.0315328,5.363126547);(285.0393574,4.128118644);(301.0342715,1.786679343);(302.0420961,5.195980672) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,4.975918265);(265.0710659,4.035566245);(266.0728535,0.9655926018);(280.0945397,1.962974537);(281.1023643,8.567406551);(282.1042326,2.150973076);(283.1016577,0.8694545436);(297.0972784,2.822215787);(351.1262389,3.071353485);(352.1279211,1.032530183);(367.1575373,2.336459703);(368.1592812,0.8130291981);(383.1524514,1.441405512);(573.1974526,0.818661076);(588.1845421,0.8475335348);(589.1923667,3.423877323);(590.1942678,1.758325805);(590.2001913,3.706708268);(591.1928441,0.9373841664);(591.2020937,1.904129198);(591.2080159,1.681740359);(592.2006708,1.015102791);(592.2099196,0.8641592185);(619.2213272,2.788061508);(620.2230568,1.605648984);(621.2215901,0.9422815749);(634.244801,0.9069069732);(646.2084167,0.9276940852);(647.2162413,6.241667299);(648.2180035,3.666794689);(649.2166209,2.163847301) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (108.020578,1.23910365);(110.0362272,1.389638576);(121.0284026,1.55197342);(122.0362272,1.02761083);(136.0154921,3.961763183);(137.0233167,3.713796438);(138.0311413,2.718369516);(139.0389659,1.051328393);(152.0104062,1.621633703);(153.0182308,1.002084916);(164.0104062,1.412213606);(165.0182308,1.249136277);(166.0260554,2.438726835);(167.03388,1.173729149);(168.0417046,1.023886369);(218.0209695,0.9906184747);(232.0366187,1.044945925);(244.0366187,1.495348773);(245.0444433,1.267901622);(246.0522679,1.804078467);(258.0158836,1.944551105);(260.0315328,0.9216606314);(270.0158836,1.033243548);(271.0237082,1.390894601);(272.0315328,3.835172856);(273.0393574,4.009339723);(274.047182,6.224022367);(275.0505768,0.9987345086);(284.0315328,3.335861628);(285.0393574,2.858855558);(302.0420961,3.611187438) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (302.0,100.0);(303.0,18.703) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (68.0,5.336);(92.0,4.266);(108.0,4.511);(110.0,8.797);(120.0,7.041);(121.0,4.653);(136.0,27.72);(137.0,13.872);(148.0,5.02);(152.0,30.624);(153.0,16.222);(162.0,5.84);(164.0,27.245);(165.0,10.638);(172.0,4.958);(182.0,4.156);(186.0,3.729);(200.0,13.885);(201.0,8.859);(228.0,33.479);(229.0,21.28);(246.0,3.918);(256.0,19.451);(257.0,10.151);(273.0,6.048);(274.0,5.643);(284.0,8.794);(302.0,100.0);(303.0,51.687) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (43.0,8.995);(55.0,10.127);(64.0,10.652);(65.0,8.199);(66.0,31.256);(67.0,14.908);(68.0,100.0);(69.0,16.654);(76.0,19.404);(77.0,8.218);(80.0,27.84);(81.0,17.337);(90.0,10.405);(92.0,13.254);(93.0,8.593);(94.0,14.724);(95.0,8.325);(104.0,16.439);(107.0,8.125);(108.0,38.224);(109.0,22.323);(110.0,10.495);(114.0,12.758);(116.0,9.713);(120.0,27.476);(121.0,8.217);(126.0,26.206);(127.0,17.646);(130.0,11.9);(136.0,56.732);(137.0,31.91);(144.0,16.492);(145.0,8.367);(152.0,67.508);(153.0,50.649);(154.0,33.633);(155.0,18.582);(162.0,9.259);(164.0,13.463);(172.0,17.987);(173.0,8.057);(182.0,14.561);(183.0,12.606);(186.0,12.261);(200.0,19.56);(201.0,8.315);(227.0,8.956);(228.0,32.857);(229.0,16.438);(302.0,8.053) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (251.016,0.012012012);(301.0591,0.1191191191);(302.0872,0.039039039);(303.0656,1.0);(304.0564,0.1501501502);(305.0138,0.0570570571);(658.0372,0.017017017);(659.1448,0.017017017);(660.1511,0.01001001);(960.0659,0.018018018) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (63.022,0.016016016);(65.0014,0.043043043);(83.0128,0.0540540541);(93.0339,0.044044044);(107.0135,0.1491491491);(108.0202,0.015015015);(109.0291,0.018018018);(121.0292,0.1681681682);(149.0246,0.03003003);(151.0037,0.5375375375);(152.0085,0.018018018);(161.0243,0.015015015);(164.0116,0.017017017);(178.9987,0.2222222222);(229.0501,0.018018018);(245.0455,0.018018018);(273.041,0.036036036);(301.0348,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (107.0124,0.031031031);(121.0281,0.037037037);(151.0024,0.2052052052);(178.9971,0.0980980981);(273.038,0.017017017);(301.0325,1.0);(302.0365,0.044044044);(603.0775,0.016016016) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (63.0565,0.1091091091);(65.0388,0.2122122122);(65.8457,0.024024024);(83.0529,0.3203203203);(83.8655,0.028028028);(93.0713,0.2282282282);(93.9228,0.031031031);(95.0122,0.038038038);(96.035,0.048048048);(106.2407,0.021021021);(107.0446,0.8628628629);(107.9581,0.1751751752);(109.009,0.1761761762);(109.8356,0.028028028);(110.8587,0.022022022);(117.1232,0.02002002);(118.9831,0.025025025);(120.0683,0.049049049);(121.0643,0.7737737738);(121.9168,0.0980980981);(122.8908,0.04004004);(124.0176,0.043043043);(124.9845,0.035035035);(128.9623,0.019019019);(131.9021,0.024024024);(133.0248,0.033033033);(135.075,0.042042042);(136.03,0.037037037);(137.0404,0.034034034);(139.0623,0.0660660661);(143.0321,0.026026026);(145.0173,0.037037037);(145.9622,0.022022022);(147.0458,0.039039039);(148.0376,0.04004004);(149.08,0.1521521522);(150.0403,0.0560560561);(151.0352,1.0);(151.906,0.1681681682);(152.7914,0.045045045);(153.7569,0.024024024);(155.0483,0.027027027);(157.0801,0.027027027);(158.0831,0.033033033);(159.0621,0.0740740741);(159.9737,0.021021021);(161.0693,0.0930930931);(161.9962,0.035035035);(163.0228,0.0870870871);(164.0166,0.0920920921);(164.9389,0.033033033);(167.0715,0.024024024);(171.0791,0.023023023);(173.0276,0.026026026);(175.0747,0.037037037);(177.0737,0.027027027);(178.999,0.0610610611);(183.054,0.044044044);(184.9905,0.03003003);(187.0271,0.04004004);(193.0483,0.029029029);(199.0578,0.037037037);(201.0829,0.042042042);(203.0691,0.026026026);(211.0376,0.039039039);(213.0655,0.024024024);(227.0285,0.0610610611);(229.043,0.024024024);(230.0183,0.022022022);(243.0412,0.045045045);(245.0582,0.034034034);(255.0025,0.024024024);(256.0732,0.025025025);(271.0311,0.02002002) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (151.0366,0.1771771772);(151.8514,0.035035035);(179.028,0.1521521522);(300.109,0.023023023);(301.0501,1.0);(301.9594,0.1561561562);(302.8104,0.0520520521);(303.689,0.023023023) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (68.9872,0.1181181181);(69.0282,0.033033033);(81.026,0.0530530531);(93.028,0.044044044);(95.0438,0.0620620621);(105.0294,0.033033033);(109.0246,0.1811811812);(111.0042,0.1031031031);(115.0511,0.036036036);(117.0668,0.0570570571);(121.0261,0.1671671672);(123.0413,0.0580580581);(127.0524,0.0900900901);(131.0479,0.0600600601);(135.043,0.0510510511);(137.0221,0.5795795796);(137.0833,0.0780780781);(145.0277,0.032032032);(145.0642,0.1021021021);(149.0232,0.046046046);(153.0177,1.0);(153.0819,0.1121121121);(155.0487,0.2122122122);(159.0434,0.035035035);(161.0596,0.0730730731);(163.0389,0.0970970971);(165.0184,0.2612612613);(165.0844,0.032032032);(166.0256,0.044044044);(173.0598,0.2022022022);(179.0338,0.0560560561);(183.0444,0.2062062062);(187.0394,0.1371371371);(201.0551,0.4314314314);(201.1284,0.043043043);(211.04,0.0650650651);(219.0666,0.034034034);(228.0422,0.0950950951);(229.05,0.8048048048);(229.1272,0.0690690691);(239.0343,0.0570570571);(245.0452,0.039039039);(247.0602,0.038038038);(257.0448,0.2592592593);(274.0472,0.0790790791);(285.0401,0.0990990991);(303.0505,0.2192192192) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (68.9873,0.026026026);(109.0251,0.023023023);(121.0261,0.026026026);(127.0524,0.027027027);(137.0222,0.0650650651);(153.0182,0.1131131131);(155.0494,0.034034034);(165.0187,0.042042042);(201.056,0.04004004);(229.0508,0.0950950951);(257.0457,0.0500500501);(285.0407,0.023023023);(303.0505,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (137.0241,0.0960960961);(153.0195,0.1411411411);(229.0485,0.1191191191);(303.0504,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (65.005,0.1141141141);(83.0142,0.0940940941);(107.0138,0.2252252252);(121.0301,0.1671671672);(149.0228,0.0610610611);(151.0036,0.5265265265);(160.8948,0.0580580581);(178.999,0.2382382382);(282.9939,0.0520520521);(300.785,0.0620620621);(301.0349,1.0) | | LC-MS/MS | LC-ESI-ITTOF (LCMS-IT-TOF) | Positive | Not Available | View Spectrum | (217.4292,0.003003003);(242.6049,0.003003003);(244.074,0.006006006);(252.1418,0.007007007);(257.0485,0.003003003);(264.0754,0.003003003);(272.5757,0.003003003);(285.0429,0.007007007);(287.042,0.006006006);(292.0622,0.019019019);(293.0648,0.006006006);(301.0147,0.006006006);(303.0523,1.0);(303.2028,0.019019019);(303.3535,0.021021021);(303.5711,0.01001001);(304.0568,0.1541541542);(305.0631,0.032032032);(317.0625,0.007007007);(323.0107,0.011011011);(344.0868,0.003003003);(359.1143,0.007007007);(444.1787,0.009009009);(468.3575,0.003003003);(471.0859,0.006006006);(487.0712,0.006006006);(577.378,0.003003003);(658.0174,0.033033033);(659.0038,0.007007007);(699.0163,0.003003003);(703.9031,0.003003003);(904.9895,0.003003003);(982.0178,0.003003003);(1287.6401,0.003003003);(1305.0786,0.003003003);(1470.8418,0.003003003);(1477.0402,0.003003003);(1503.7524,0.003003003);(1576.0414,0.003003003);(1700.1769,0.003003003);(1757.7187,0.003003003);(1801.626,0.003003003);(1933.045,0.003003003) | | LC-MS/MS | LC-ESI-ITTOF (LCMS-IT-TOF) | Negative | Not Available | View Spectrum | (255.032,0.006006006);(271.0205,0.041041041);(272.0339,0.011011011);(299.0138,0.1441441441);(300.0283,0.018018018);(300.9112,0.008008008);(301.0279,1.0);(301.1946,0.018018018);(301.3447,0.022022022);(301.5616,0.013013013);(301.812,0.004004004);(302.0291,0.1681681682);(302.5637,0.004004004);(303.0487,0.031031031);(317.0242,0.018018018);(415.0335,0.024024024);(603.0864,0.0530530531);(604.0779,0.017017017) | | LC-MS/MS | LC-ESI-ITTOF (LCMS-IT-TOF) | Negative | Not Available | View Spectrum | (107.0129,0.0710710711);(108.0193,0.006006006);(121.0335,0.032032032);(125.0305,0.009009009);(149.0239,0.008008008);(150.9304,0.037037037);(151.0013,1.0);(151.1194,0.023023023);(151.2139,0.022022022);(151.3794,0.008008008);(151.5449,0.005005005);(152.0067,0.0510510511);(159.0409,0.012012012);(161.0346,0.009009009);(163.0162,0.006006006);(178.9964,0.6796796797);(179.1121,0.01001001);(179.2408,0.016016016);(179.4209,0.007007007);(180.0006,0.024024024);(183.0432,0.007007007);(185.0508,0.008008008);(187.0432,0.014014014);(192.0041,0.016016016);(193.0174,0.047047047);(200.0358,0.006006006);(201.0565,0.01001001);(203.0371,0.006006006);(208.1074,0.004004004);(211.0427,0.033033033);(212.035,0.006006006);(213.0578,0.004004004);(215.0401,0.011011011);(227.0257,0.009009009);(228.0404,0.011011011);(229.0428,0.0870870871);(230.0474,0.008008008);(239.039,0.014014014);(240.0355,0.016016016);(245.049,0.018018018);(255.032,0.016016016);(257.0463,0.033033033);(271.0205,0.012012012);(272.0339,0.007007007);(273.0334,0.0660660661);(283.0316,0.007007007);(299.0138,0.013013013) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (119.0499,1.0);(145.0295,6.0);(151.0036,26.0);(152.0064,2.0);(177.0205,4.0);(193.0137,3.0);(235.0251,16.0);(236.0267,1.0);(253.0355,4.0);(270.0526,1.0);(271.0624,343.0);(272.0654,34.0);(273.0674,2.0);(277.0372,1.0);(295.0613,4.0);(297.0627,1.0);(313.0727,25.0);(314.0757,3.0);(339.0724,13.0);(340.0763,1.0);(343.0842,2.0);(355.0815,1.0);(357.0862,2.0);(373.0928,13.0);(374.0988,2.0);(397.0935,1.0);(415.1032,4.0);(416.1054,1.0);(417.1212,3.0);(433.1316,7.0);(434.1375,1.0);(441.1028,4.0);(459.1174,291.0);(460.1197,39.0);(461.1219,4.0);(473.1287,2.0);(477.126,1.0);(561.1574,1.0);(579.1752,999.0);(579.2946,2.0);(580.178,183.0);(580.253,1.0);(581.178,18.0);(582.178,2.0);(1467.1993,1.0);(1492.4894,1.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (116.9285,17.0);(178.9985,11.0);(299.0211,505.0);(300.0252,91.0);(301.0373,999.0);(302.0405,170.0);(303.0418,31.0);(317.0314,93.0);(318.0346,14.0);(369.025,16.0);(399.9559,18.0);(400.9596,26.0);(418.9722,20.0);(430.9932,14.0);(440.9489,11.0);(445.9615,37.0);(446.9684,10.0);(452.9773,15.0);(481.0403,11.0);(556.0021,32.0);(601.0651,131.0);(602.0694,49.0);(603.0815,250.0);(604.0843,180.0);(605.0864,48.0);(617.0546,12.0);(619.0745,53.0);(620.0822,22.0);(621.0292,13.0);(623.0482,62.0);(624.0521,24.0);(625.0631,65.0);(626.0657,25.0);(639.0469,17.0);(641.0599,29.0);(642.0523,12.0);(647.0474,34.0);(648.0454,13.0);(653.9902,13.0);(655.9924,83.0);(656.9927,40.0);(657.9975,14.0);(659.0012,14.0);(663.0401,19.0);(666.0195,10.0);(671.9865,15.0);(685.0079,14.0);(687.0321,28.0);(709.0212,18.0);(723.9817,13.0);(724.9838,12.0);(901.0911,15.0);(903.1074,37.0);(904.1117,21.0);(905.1219,37.0);(906.1228,20.0);(927.1039,29.0);(928.1108,16.0);(943.0666,18.0);(956.0245,15.0);(957.0294,14.0);(958.0315,26.0);(959.0318,21.0);(965.0518,12.0);(980.0185,22.0);(981.0213,18.0);(1205.1515,22.0);(1259.0746,10.0);(1260.0762,22.0);(1261.0764,14.0);(1273.1045,16.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (116.9285,17.0);(178.9985,11.0);(299.0211,505.0);(300.0252,91.0);(301.0373,999.0);(302.0405,170.0);(303.0418,31.0);(317.0314,93.0);(318.0346,14.0);(369.025,16.0);(399.9559,18.0);(400.9596,26.0);(418.9722,20.0);(430.9932,14.0);(440.9489,11.0);(445.9615,37.0);(446.9684,10.0);(452.9773,15.0);(481.0403,11.0);(556.0021,32.0);(601.0651,131.0);(602.0694,49.0);(603.0815,250.0);(604.0843,180.0);(605.0864,48.0);(617.0546,12.0);(619.0745,53.0);(620.0822,22.0);(621.0292,13.0);(623.0482,62.0);(624.0521,24.0);(625.0631,65.0);(626.0657,25.0);(639.0469,17.0);(641.0599,29.0);(642.0523,12.0);(647.0474,34.0);(648.0454,13.0);(653.9902,13.0);(655.9924,83.0);(656.9927,40.0);(657.9975,14.0);(659.0012,14.0);(663.0401,19.0);(666.0195,10.0);(671.9865,15.0);(685.0079,14.0);(687.0321,28.0);(709.0212,18.0);(723.9817,13.0);(724.9838,12.0);(901.0911,15.0);(903.1074,37.0);(904.1117,21.0);(905.1219,37.0);(906.1228,20.0);(927.1039,29.0);(928.1108,16.0);(943.0666,18.0);(956.0245,15.0);(957.0294,14.0);(958.0315,26.0);(959.0318,21.0);(965.0518,12.0);(980.0185,22.0);(981.0213,18.0);(1205.1515,22.0);(1259.0746,10.0);(1260.0762,22.0);(1261.0764,14.0);(1273.1045,16.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (121.0304,75.0);(151.0033,273.0);(178.9986,89.0);(227.0364,30.0);(229.0477,31.0);(243.0303,57.0);(257.0417,26.0);(271.025,999.0);(272.0283,157.0);(273.0391,66.0);(299.02,803.0);(300.0219,118.0);(301.035,728.0);(302.0385,102.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0146,288.0);(109.0299,714.0);(121.0298,997.0);(133.0303,736.0);(135.0101,291.0);(143.0502,214.0);(145.0308,284.0);(151.0036,999.0);(171.0477,303.0);(175.0408,245.0);(199.0406,445.0);(215.0371,252.0);(226.0284,277.0);(227.0345,222.0);(243.0304,293.0);(271.0239,634.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (271.0616,999.0);(272.0646,91.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (116.9285,17.0);(178.9985,11.0);(299.0211,505.0);(300.0252,91.0);(301.0373,999.0);(302.0405,170.0);(303.0418,31.0);(317.0314,93.0);(318.0346,14.0);(369.025,16.0);(399.9559,18.0);(400.9596,26.0);(418.9722,20.0);(430.9932,14.0);(440.9489,11.0);(445.9615,37.0);(446.9684,10.0);(452.9773,15.0);(481.0403,11.0);(556.0021,32.0);(601.0651,131.0);(602.0694,49.0);(603.0815,250.0);(604.0843,180.0);(605.0864,48.0);(617.0546,12.0);(619.0745,53.0);(620.0822,22.0);(621.0292,13.0);(623.0482,62.0);(624.0521,24.0);(625.0631,65.0);(626.0657,25.0);(639.0469,17.0);(641.0599,29.0);(642.0523,12.0);(647.0474,34.0);(648.0454,13.0);(653.9902,13.0);(655.9924,83.0);(656.9927,40.0);(657.9975,14.0);(659.0012,14.0);(663.0401,19.0);(666.0195,10.0);(671.9865,15.0);(685.0079,14.0);(687.0321,28.0);(709.0212,18.0);(723.9817,13.0);(724.9838,12.0);(901.0911,15.0);(903.1074,37.0);(904.1117,21.0);(905.1219,37.0);(906.1228,20.0);(927.1039,29.0);(928.1108,16.0);(943.0666,18.0);(956.0245,15.0);(957.0294,14.0);(958.0315,26.0);(959.0318,21.0);(965.0518,12.0);(980.0185,22.0);(981.0213,18.0);(1205.1515,22.0);(1259.0746,10.0);(1260.0762,22.0);(1261.0764,14.0);(1273.1045,16.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (151.0038,13.0);(178.9989,24.0);(271.0259,39.0);(299.0216,999.0);(300.0249,143.0);(301.0367,361.0);(302.0399,45.0);(317.0321,35.0);(601.0639,12.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (121.0304,75.0);(151.0033,273.0);(178.9986,89.0);(227.0364,30.0);(229.0477,31.0);(243.0303,57.0);(257.0417,26.0);(271.025,999.0);(272.0283,157.0);(273.0391,66.0);(299.02,803.0);(300.0219,118.0);(301.035,728.0);(302.0385,102.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0147,62.0);(109.0311,54.0);(121.0303,260.0);(149.0274,43.0);(151.0036,624.0);(152.0076,49.0);(171.0456,57.0);(178.9987,128.0);(187.039,39.0);(199.0415,85.0);(215.0352,64.0);(226.0292,71.0);(227.0342,155.0);(229.0453,59.0);(242.0234,50.0);(243.031,159.0);(245.0469,52.0);(271.0249,999.0);(272.0288,191.0);(273.0355,54.0);(299.0205,75.0);(301.0353,37.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0138,23.0);(119.0503,428.0);(120.054,43.0);(151.0039,999.0);(152.007,40.0);(165.0196,28.0);(177.0197,71.0);(271.0612,539.0);(272.0654,61.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0136,52.0);(117.0344,30.0);(119.0501,999.0);(120.0538,63.0);(151.004,57.0);(187.041,24.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (115.0558,33.0);(117.0342,100.0);(119.0502,999.0);(120.053,68.0);(143.0504,42.0);(145.0349,38.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0137,62.0);(119.0503,999.0);(120.0536,62.0);(151.0039,266.0);(152.007,23.0);(165.0178,27.0);(187.0401,26.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (271.0246,22.0);(299.02,719.0);(300.0234,89.0);(301.0356,999.0);(302.0386,96.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (299.0205,999.0);(300.0235,113.0);(301.0356,446.0);(302.0388,49.0);(317.0309,120.0);(601.0627,33.0);(603.078,39.0) | | LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0146,288.0);(109.0299,714.0);(121.0298,997.0);(133.0303,736.0);(135.0101,291.0);(143.0502,214.0);(145.0308,284.0);(151.0036,999.0);(171.0477,303.0);(175.0408,245.0);(199.0406,445.0);(215.0371,252.0);(226.0284,277.0);(227.0345,222.0);(243.0304,293.0);(271.0239,634.0) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (301.0355,100.0);(302.039,18.75889);(303.0412,3.023758) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (121.0293,4.877591);(149.0243,1.510177);(151.0037,28.383829);(152.0073,1.969796);(169.0147,2.082356);(178.9987,24.875715);(180.0023,1.969796);(257.0459,1.397617);(273.04,5.68427);(301.0352,100.0);(302.0386,18.759966);(303.0409,2.926555) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (107.0144,8.779813);(121.0293,23.211199);(139.0403,2.17767);(149.024,7.881092);(151.0035,100.0);(152.0072,10.352575);(163.0398,3.231939);(164.0113,3.767715);(169.0143,12.270999);(178.9986,33.702039);(180.0014,3.335638);(187.0395,2.17767);(193.0133,2.765296);(201.0551,2.125821);(205.0502,2.627031);(229.0509,5.496025);(245.0458,7.500864);(257.0449,2.4542);(273.0407,12.89319);(274.044,1.762876);(299.0205,2.488766);(301.0355,23.816108);(302.039,3.802281) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (93.0346,7.811983);(107.014,22.641509);(109.0294,4.137703);(121.0291,57.298908);(122.0323,6.190003);(124.0163,6.1238);(139.0398,19.695465);(148.0159,3.47567);(149.024,18.801721);(151.0034,100.0);(152.0085,8.805031);(159.0445,5.196955);(161.0243,5.92519);(163.0389,4.568024);(164.0109,11.982787);(169.014,16.219795);(178.9979,12.181397);(187.0401,4.832837);(193.0138,3.574975);(201.056,4.104601);(211.0398,4.336312);(227.0351,5.064548);(243.0293,3.508772);(245.045,7.878186);(256.038,3.574975);(301.0346,4.733532) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (93.0348,28.431373);(107.0143,37.85822);(108.0212,7.918552);(109.0289,10.633484);(121.0294,100.0);(122.033,8.371041);(124.0166,12.066365);(133.029,12.292609);(139.0396,41.930618);(148.0166,8.6727);(149.0247,17.571644);(151.0033,59.049774);(152.0072,9.577677);(159.0444,16.365008);(161.0247,12.971342);(163.0038,8.371041);(164.0106,9.803922);(169.0149,9.049774);(227.0354,9.125189) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (151.006,3.21794);(178.998,4.03498);(301.029,100.0) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (107.016,7.56023);(121.029,17.63081);(125.023,1.03069);(149.026,1.95028);(151.004,100.0);(163.019,2.02854);(169.013,1.60503);(178.996,64.76907);(193.01,2.91392);(229.052,4.12153);(245.049,2.04542);(257.048,2.3876);(273.044,8.95658);(301.035,76.6457) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (63.024,12.32387);(65.003,16.38063);(83.012,11.87312);(93.034,9.28214);(95.014,1.20534);(96.022,1.10751);(107.016,65.47579);(108.024,3.75292);(109.031,8.18364);(120.022,1.08781);(121.029,52.02003);(124.016,2.3596);(125.024,1.83539);(133.03,1.04741);(135.042,1.55927);(136.017,1.39332);(139.042,7.19533);(145.032,1.44908);(147.042,1.58865);(148.019,1.4414);(149.025,9.55259);(151.004,100.0);(152.012,1.75292);(159.047,3.32554);(161.027,4.61436);(163.023,8.2571);(164.014,6.41068);(169.013,4.43072);(173.058,1.20768);(175.038,2.13122);(177.055,1.31987);(178.997,10.31719);(183.045,2.07446);(185.057,1.29316);(187.038,3.27312);(193.01,2.20134);(199.035,1.48247);(201.051,3.59599);(203.031,1.71052);(205.046,1.45576);(211.038,3.11619);(227.037,4.37396);(229.051,2.67346);(243.035,3.18865);(245.05,4.5409);(255.032,1.91419);(273.043,1.31786);(301.04,2.08748) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (63.024,71.37554);(65.003,100.0);(67.019,1.7425);(83.012,31.44554);(93.033,45.22219);(95.014,3.59847);(96.021,4.23905);(107.016,52.95365);(108.024,14.54025);(109.031,15.44172);(115.057,1.59084);(117.034,3.92937);(119.015,2.52095);(120.023,2.58034);(121.03,53.29303);(124.016,2.47958);(130.042,1.6672);(131.05,2.25899);(132.022,2.52413);(133.029,11.00859);(134.037,1.53251);(135.045,5.19673);(137.025,1.9334);(139.041,13.16152);(143.052,1.96203);(145.032,3.64089);(146.038,1.50811);(147.044,2.64609);(148.019,3.25909);(149.026,5.45127);(151.005,24.1489);(155.053,1.76371);(157.034,1.55054);(158.04,3.69817);(159.048,5.73231);(161.027,9.06777);(162.035,1.49857);(163.009,4.59964);(164.014,2.2802);(169.019,2.11793);(171.046,1.84855);(175.038,1.95885);(177.056,1.80295);(182.036,1.74992);(183.043,3.6165);(187.038,1.91643);(199.036,2.88154);(211.039,2.41065);(227.035,4.39389);(243.034,1.73931) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (65.0,0.16071);(83.0,0.41736);(93.0,0.30916);(107.0,5.01807);(109.0,0.71719);(121.0,9.11125);(124.0,0.14208);(125.0,0.75565);(141.0,0.13768);(149.0,1.29313);(151.0,83.60817);(152.0,0.15381);(159.0,0.32867);(161.0,0.21355);(162.0,0.14697);(163.0,1.45831);(164.0,0.87745);(171.0,0.2088);(173.0,0.15169);(175.0,0.55376);(177.0,0.14821);(179.0,61.81735);(183.0,0.18468);(184.0,0.12866);(185.0,0.21149);(186.0,0.19129);(187.0,0.96285);(189.0,0.73437);(190.0,0.15459);(191.0,0.1505);(192.0,0.79332);(193.0,3.5289);(195.0,0.11214);(201.0,1.07174);(203.0,0.46867);(205.0,0.69813);(211.0,1.23802);(213.0,0.45723);(214.0,0.30854);(215.0,0.45253);(217.0,0.22883);(219.0,0.23365);(225.0,0.71862);(227.0,0.68105);(228.0,0.38125);(229.0,4.67737);(230.0,0.14845);(231.0,0.63173);(233.0,0.18247);(239.0,1.06482);(240.0,0.28489);(241.0,0.36367);(243.0,0.35942);(245.0,2.4863);(255.0,0.51827);(256.0,0.32552);(257.0,3.13278);(271.0,0.3174);(272.0,0.15719);(273.0,11.61434);(283.0,0.14696);(284.0,0.42843);(299.0,1.51125);(300.0,0.23392);(301.0,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (63.0,0.28748);(65.0,1.80097);(83.0,2.18763);(93.0,1.18511);(95.0,0.18744);(107.0,16.11643);(108.0,0.3948);(109.0,1.43442);(111.0,0.2187);(117.0,0.11546);(119.0,0.17577);(121.0,16.66957);(123.0,0.20696);(124.0,0.10643);(125.0,0.76527);(133.0,0.11329);(135.0,0.12017);(136.0,0.42893);(141.0,0.14552);(143.0,0.20996);(145.0,0.10097);(147.0,0.74196);(149.0,3.27236);(151.0,100.0);(152.0,0.54862);(153.0,0.16144);(156.0,0.12737);(157.0,0.33572);(159.0,0.99471);(161.0,0.68556);(162.0,0.24432);(163.0,4.09408);(164.0,2.17459);(165.0,0.27826);(167.0,0.45827);(169.0,0.109);(171.0,0.24671);(173.0,0.40643);(174.0,0.1347);(175.0,1.57246);(176.0,0.14442);(177.0,0.47397);(179.0,36.38876);(181.0,0.11003);(183.0,0.68569);(185.0,0.91077);(187.0,1.56626);(189.0,1.44346);(190.0,0.11044);(191.0,0.70315);(192.0,0.93606);(193.0,2.82019);(195.0,0.61911);(199.0,0.23834);(201.0,1.64928);(202.0,0.10735);(203.0,0.60971);(205.0,1.28318);(211.0,1.74109);(212.0,0.28386);(213.0,0.50081);(214.0,0.20373);(215.0,0.60263);(217.0,0.42363);(219.0,0.15991);(225.0,0.54967);(227.0,0.97803);(228.0,0.46478);(229.0,4.30931);(230.0,0.73651);(231.0,1.5844);(233.0,0.23492);(239.0,0.3403);(240.0,0.56582);(241.0,0.13857);(243.0,1.08099);(244.0,0.13957);(245.0,5.52013);(255.0,2.0673);(256.0,0.73514);(257.0,1.24462);(270.0,0.13208);(271.0,0.50679);(272.0,0.32781);(273.0,8.01717);(283.0,0.27232);(284.0,0.72821);(298.0,0.1385);(299.0,2.68908);(301.0,15.3473) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (63.0,1.94424);(65.0,6.5487);(83.0,6.23223);(93.0,3.03361);(95.0,0.21198);(96.0,0.19623);(107.0,27.38974);(108.0,0.928);(109.0,3.16772);(111.0,0.32323);(115.0,0.24241);(117.0,0.132);(119.0,0.12358);(120.0,0.52654);(121.0,29.73354);(123.0,0.85096);(124.0,1.15642);(125.0,1.72081);(129.0,0.23045);(130.0,0.2956);(131.0,0.3724);(132.0,0.19976);(133.0,0.54852);(134.0,0.15959);(135.0,0.91858);(136.0,0.51289);(137.0,0.26447);(139.0,0.12033);(142.0,0.2292);(143.0,0.54241);(144.0,0.25118);(145.0,0.84017);(146.0,0.30334);(147.0,1.22055);(148.0,0.61661);(149.0,5.08463);(151.0,100.0);(152.0,0.73556);(155.0,0.25797);(157.0,0.36582);(158.0,0.86933);(159.0,3.13879);(161.0,3.57727);(162.0,0.44904);(163.0,7.30517);(164.0,3.86718);(165.0,0.92587);(167.0,0.60579);(168.0,0.28625);(169.0,0.40598);(170.0,0.40804);(171.0,0.6116);(172.0,0.14994);(173.0,1.1293);(174.0,0.10565);(175.0,2.38522);(177.0,1.19115);(179.0,14.17761);(182.0,0.26927);(183.0,1.30907);(184.0,0.30119);(185.0,1.06042);(186.0,0.28429);(187.0,3.56066);(189.0,1.49542);(190.0,0.32884);(191.0,0.24076);(192.0,0.52957);(193.0,2.49459);(195.0,0.17902);(196.0,0.10974);(197.0,0.2405);(198.0,0.10015);(199.0,0.90206);(200.0,0.28193);(201.0,3.09578);(203.0,1.39847);(204.0,0.10203);(205.0,1.24661);(209.0,0.12199);(210.0,0.18561);(211.0,3.05246);(212.0,0.44715);(213.0,1.07248);(214.0,0.68295);(215.0,0.56744);(216.0,0.4401);(217.0,1.08387);(224.0,0.10523);(225.0,1.21608);(227.0,2.04447);(228.0,0.58437);(229.0,2.87418);(230.0,0.89193);(231.0,0.34813);(232.0,0.18144);(233.0,0.47251);(239.0,0.39731);(240.0,0.69481);(241.0,0.23953);(243.0,4.76041);(244.0,0.59377);(245.0,6.52749);(254.0,0.33014);(255.0,0.97046);(256.0,0.59549);(257.0,0.44041);(271.0,0.47438);(272.0,0.5554);(273.0,2.37905);(283.0,0.19324);(284.0,1.04718);(299.0,0.84985);(300.0,0.36795);(301.0,1.76475) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (63.022,1.684803);(65.0014,4.311445);(83.0128,5.463415);(93.0339,4.502814);(107.0135,15.005629);(108.0202,1.515947);(109.0291,1.831144);(121.0292,16.829268);(149.0246,3.08818);(151.0037,53.846154);(152.0085,1.898687);(161.0243,1.560976);(164.0116,1.752345);(178.9987,22.281426);(229.0501,1.894934);(245.0455,1.827392);(273.041,3.624765);(301.0348,100.0) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (107.0124,3.160873);(121.0281,3.791431);(151.0024,20.598222);(178.9971,9.814066);(273.038,1.794665);(301.0325,100.0);(302.0365,4.478577);(603.0775,1.665319) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (63.0565,11.008326);(65.0388,21.230342);(65.8457,2.451434);(83.0529,32.099907);(83.8655,2.821462);(93.0713,22.849214);(93.9228,3.145236);(95.0122,3.885291);(96.035,4.856614);(106.2407,2.12766);(107.0446,86.355227);(107.9581,17.530065);(109.009,17.622572);(109.8356,2.821462);(110.8587,2.220167);(117.1232,2.081406);(118.9831,2.590194);(120.0683,4.949121);(121.0643,77.382054);(121.9168,9.898242);(122.8908,4.070305);(124.0176,4.39408);(124.9845,3.515264);(128.9623,1.988899);(131.9021,2.40518);(133.0248,3.33025);(135.075,4.255319);(136.03,3.746531);(137.0404,3.46901);(139.0623,6.614246);(143.0321,2.636448);(145.0173,3.746531);(145.9622,2.26642);(147.0458,3.977798);(148.0376,4.024052);(149.08,15.217391);(150.0403,5.689177);(151.0352,100.0);(151.906,16.836263);(152.7914,4.53284);(153.7569,2.497687);(155.0483,2.728955);(157.0801,2.728955);(158.0831,3.376503);(159.0621,7.446809);(159.9737,2.173913);(161.0693,9.389454);(161.9962,3.561517);(163.0228,8.741906);(164.0166,9.250694);(164.9389,3.33025);(167.0715,2.497687);(171.0791,2.312673);(173.0276,2.682701);(175.0747,3.746531);(177.0737,2.728955);(178.999,6.197965);(183.054,4.440333);(184.9905,3.052729);(187.0271,4.024052);(193.0483,2.960222);(199.0578,3.792784);(201.0829,4.301573);(203.0691,2.682701);(211.0376,3.931545);(213.0655,2.40518);(227.0285,6.197965);(229.043,2.451434);(230.0183,2.220167);(243.0412,4.579093);(245.0582,3.46901);(255.0025,2.40518);(256.0732,2.543941);(271.0311,2.035153) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (151.0366,17.791005);(151.8514,3.505291);(179.028,15.277778);(300.109,2.314815);(301.0501,100.0);(301.9594,15.641534);(302.8104,5.224868);(303.689,2.380952) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (65.005,11.372931);(83.0142,9.397274);(107.0138,22.512171);(121.0301,16.728335);(149.0228,6.109056);(151.0036,52.619279);(160.8948,5.776047);(178.999,23.82668);(282.9939,5.235638);(300.785,6.167478);(301.0349,100.0) | | LC-MS/MS | LC-ESI-ITTOF | negative | Not Available | View Spectrum | (107.0129,7.117185);(108.0193,0.614103);(121.0335,3.250881);(125.0305,0.931626);(149.0239,0.830124);(150.9304,3.753295);(151.0013,100.0);(151.1194,2.322085);(151.2139,2.235865);(151.3794,0.784656);(151.5449,0.536562);(152.0067,5.106209);(159.0409,1.228396);(161.0346,0.927853);(163.0162,0.607123);(178.9964,67.961912);(179.1121,1.027656);(179.2408,1.637609);(179.4209,0.702964);(180.0006,2.35246);(183.0432,0.725227);(185.0508,0.830124);(187.0432,1.438191);(192.0041,1.647986);(193.0174,4.689449);(200.0358,0.614103);(201.0565,1.039731);(203.0371,0.64146);(208.1074,0.431665);(211.0427,3.259748);(212.035,0.614103);(213.0578,0.431665);(215.0401,1.141421);(227.0257,0.931626);(228.0404,1.144628);(229.0428,8.746116);(230.0474,0.826917);(239.039,1.447058);(240.0355,1.551955);(245.049,1.84231);(255.032,1.551955);(257.0463,3.286916);(271.0205,1.237451);(272.0339,0.725227);(273.0334,6.635902);(283.0316,0.725227);(299.0138,1.34216) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (104.2972,1.679389);(107.0128,12.748092);(108.9899,1.679389);(121.0288,20.916031);(125.0229,3.206107);(125.1384,1.679389);(149.0207,2.290076);(151.0028,100.0);(151.0395,1.755725);(151.0489,1.832061);(159.3653,2.59542);(163.0068,2.442748);(163.038,1.984733);(178.9975,48.70229);(179.0139,1.679389);(193.0131,3.435115);(214.0225,2.59542);(229.0422,1.755725);(229.0587,1.679389);(231.9251,1.908397);(240.0457,2.519084);(245.0455,2.519084);(257.0445,1.984733);(272.0201,2.21374);(273.0402,17.022901);(273.0603,1.679389);(300.0222,1.908397);(301.0331,65.496183) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (117.8552,1.048565);(121.0267,0.855408);(125.0275,0.662252);(151.0027,7.505519);(151.0354,0.607064);(178.9976,6.594923);(223.1692,0.57947);(226.9161,0.607064);(272.0304,1.020971);(273.0271,0.57947);(273.0462,1.269316);(300.0252,2.952539);(301.0346,100.0) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (96.938092,6.96336);(122.9806,0.641828);(170.004363,0.556211);(183.0309,3.330068);(184.034169,1.098984);(197.085989,0.625617);(209.046231,1.568576);(210.072307,2.283117);(223.090304,1.172003);(224.109227,0.682625);(227.239014,0.999614);(228.239253,0.981095);(237.117256,1.954281);(251.13132,0.783614);(265.128164,1.050436);(273.268487,2.310696);(279.158867,0.663131);(293.138302,2.149163);(301.091404,100.0);(308.987304,2.054562);(309.966979,0.570053);(315.500007,0.521948);(319.176854,0.739527);(337.226438,0.819306) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (96.939613,18.932455);(98.939344,0.828116);(122.976996,1.671921);(170.015663,1.658899);(183.036786,10.454912);(184.034097,3.333676);(195.03201,0.520575);(196.046708,0.744029);(197.052582,1.622295);(198.037505,0.822678);(209.073052,4.878685);(210.066832,7.159849);(223.072073,3.66474);(224.084696,2.262503);(227.237575,2.435717);(228.237568,4.142838);(237.103698,5.369505);(238.094165,1.48703);(251.086202,3.204567);(252.086514,0.848774);(257.199786,0.860834);(265.141048,2.98328);(266.101688,0.748062);(273.271587,7.813771);(279.124331,1.772573);(280.113362,0.503717);(292.182082,0.97812);(293.147843,4.346188);(301.100141,100.0);(305.13945,0.730016);(307.135097,0.740642);(308.071907,0.671119);(308.991981,2.920471);(309.972554,1.085436);(315.115087,0.504022);(319.174124,1.402183);(321.203587,0.781596);(337.240988,2.465693) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.45949,1.488978);(121.498002,1.016148);(151.457377,92.264276);(179.262784,100.0);(189.257978,0.709764);(192.219994,1.971014);(193.197681,6.933787);(211.237164,2.444951);(213.255255,1.199075);(215.248929,0.845332);(228.261325,1.064273);(229.256924,6.058873);(239.222097,4.42167);(240.25127,0.964635);(245.249465,0.663979);(255.245949,1.624712);(256.252282,0.75475);(257.215626,15.105407);(273.20272,18.76407);(283.211018,1.143256);(301.258759,21.889554);(302.119047,87.097218) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.441807,1.299971);(121.499626,0.874097);(151.462619,75.542186);(179.276884,100.0);(189.258717,0.604826);(192.239269,1.733045);(193.193769,5.949228);(211.225748,2.148789);(213.272183,1.105804);(215.235637,0.788416);(228.255228,0.941778);(229.244975,5.523626);(239.234217,4.172103);(240.236621,0.8704);(245.237231,0.56516);(255.258821,1.408777);(256.27502,0.695442);(257.217129,13.57298);(273.22192,17.241111);(283.192821,0.993828);(301.257813,20.938906);(302.142856,74.766532) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.391739,1.056845);(121.433016,0.583184);(151.400513,38.403796);(179.227009,100.0);(192.210115,1.28443);(193.200643,4.687979);(211.236192,1.66277);(213.250435,0.912827);(215.229505,0.615465);(228.239288,0.766631);(229.242865,4.19681);(239.217072,3.211508);(240.179271,0.699069);(245.233452,0.63123);(255.204082,1.467177);(256.210141,0.719459);(257.214593,11.20605);(273.166377,13.966937);(283.16526,0.934527);(301.245214,23.832697);(302.076553,36.939289) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.46459,1.121749);(121.507268,0.681948);(151.43081,42.360833);(179.263223,100.0);(189.283661,0.545934);(192.242169,1.419734);(193.235533,5.016463);(211.276463,1.863657);(213.27619,0.926108);(215.26795,0.659668);(228.275048,0.815534);(229.278525,4.634203);(239.250873,3.626757);(240.236654,0.739832);(245.261762,0.667895);(255.250253,1.587235);(256.268629,0.654265);(257.239318,12.271767);(273.197474,15.319733);(283.193971,1.050604);(301.204282,35.429842);(302.087795,42.765906) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (106.949932,3.246655);(120.976155,1.652049);(124.942166,0.530635);(150.955675,73.378974);(178.915673,100.0);(188.994875,0.612453);(191.962019,1.706127);(192.967619,5.633734);(210.993471,1.938571);(213.025763,1.000437);(215.004755,0.708811);(228.027833,0.966166);(229.03831,4.870651);(238.988171,3.818306);(239.991425,0.77289);(245.046967,0.61019);(255.002014,1.251269);(256.0036,0.737208);(257.006601,13.878188);(273.025098,16.152153);(283.025475,1.051788);(301.011658,0.997367) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (106.95637,3.224643);(120.976843,1.546948);(124.933643,0.590081);(150.964219,72.528497);(162.949233,0.506189);(178.928851,100.0);(189.010391,0.639754);(191.968125,1.756208);(192.95836,5.808841);(210.996969,1.894854);(213.010155,1.026366);(215.019018,0.809496);(228.009839,0.98398);(229.029482,5.259417);(238.999446,3.842428);(240.020942,0.753939);(245.03655,0.564609);(255.01611,1.362303);(255.999469,0.752058);(256.993346,13.215678);(273.004759,16.133745);(283.019382,0.940386);(301.024183,1.026583) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (178.92833,0.514598);(297.162342,1.830807);(298.16853,2.118848);(299.156426,5.689586);(300.166671,5.680377);(301.021796,100.0) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (178.914669,0.523325);(297.164538,1.732689);(298.164446,2.343434);(299.140301,6.013196);(300.135368,6.200077);(301.020325,100.0) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (271.0616,100.0);(272.0646,9.109109) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (121.0304,7.507508);(151.0033,27.327327);(178.9986,8.908909);(227.0364,3.003003);(229.0477,3.103103);(243.0303,5.705706);(257.0417,2.602603);(271.025,100.0);(272.0283,15.715716);(273.0391,6.606607);(299.02,80.38038);(300.0219,11.811812);(301.035,72.872873);(302.0385,10.21021) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0147,6.206206);(109.0311,5.405405);(121.0303,26.026026);(149.0274,4.304304);(151.0036,62.462462);(152.0076,4.904905);(171.0456,5.705706);(178.9987,12.812813);(187.039,3.903904);(199.0415,8.508509);(215.0352,6.406406);(226.0292,7.107107);(227.0342,15.515516);(229.0453,5.905906);(242.0234,5.005005);(243.031,15.915916);(245.0469,5.205205);(271.0249,100.0);(272.0288,19.119119);(273.0355,5.405405);(299.0205,7.507508);(301.0353,3.703704) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0138,2.302302);(119.0503,42.842843);(120.054,4.304304);(151.0039,100.0);(152.007,4.004004);(165.0196,2.802803);(177.0197,7.107107);(271.0612,53.953954);(272.0654,6.106106) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0136,5.205205);(117.0344,3.003003);(119.0501,100.0);(120.0538,6.306306);(151.004,5.705706);(187.041,2.402402) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (115.0558,3.303303);(117.0342,10.01001);(119.0502,100.0);(120.053,6.806807);(143.0504,4.204204);(145.0349,3.803804) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0137,6.206206);(119.0503,100.0);(120.0536,6.206206);(151.0039,26.626627);(152.007,2.302302);(165.0178,2.702703);(187.0401,2.602603) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (271.0246,2.202202);(299.02,71.971972);(300.0234,8.908909);(301.0356,100.0);(302.0386,9.60961) | | LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0146,28.828829);(109.0299,71.471471);(121.0298,99.7998);(133.0303,73.673674);(135.0101,29.129129);(143.0502,21.421421);(145.0308,28.428428);(151.0036,100.0);(171.0477,30.33033);(175.0408,24.524525);(199.0406,44.544545);(215.0371,25.225225);(226.0284,27.727728);(227.0345,22.222222);(243.0304,29.329329);(271.0239,63.463463) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (303.0498,100.0);(304.053,14.064316);(305.0551,2.235835) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (303.0507,100.0);(304.0541,13.902409);(305.056,2.101302) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (137.0236,4.213966);(153.0184,6.671174);(163.0392,1.084476);(165.0184,4.327578);(183.0288,1.278837);(201.0546,2.208388);(229.0495,7.643916);(247.0601,2.192427);(257.0444,6.004526);(274.0472,1.802766);(285.0394,3.665624);(303.0502,100.0);(304.0535,13.842803);(305.0554,2.281626) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (95.0493,1.507832);(109.0285,3.791539);(111.0078,4.738203);(117.0698,1.112575);(121.0285,7.251257);(123.0442,4.245352);(127.0394,1.229688);(131.0493,1.839653);(133.0281,1.36144);(135.0444,2.991265);(137.0235,46.142585);(138.0269,3.488996);(145.0649,4.660128);(149.0236,4.28927);(151.0389,1.093056);(153.0184,100.0);(154.0216,6.494901);(155.0493,8.515103);(157.0647,1.332162);(159.044,1.907969);(161.0597,3.957449);(163.0389,8.363832);(165.0181,22.963939);(166.0246,3.737862);(173.0597,11.799151);(174.0626,1.249207);(177.0544,2.420339);(179.0338,4.518616);(183.0437,9.803347);(184.0491,1.473674);(187.0388,6.958474);(191.0336,2.678964);(195.0286,2.644806);(200.0463,1.117455);(201.0543,35.983019);(202.0578,3.952569);(205.0488,3.362124);(207.0289,2.254428);(211.0385,4.211194);(213.0539,1.224808);(215.0335,1.434636);(217.0488,1.215049);(219.0645,4.211194);(228.0414,5.357927);(229.0491,70.570439);(230.0526,8.119846);(232.0362,2.103157);(233.0432,1.166252);(239.0334,4.391744);(245.044,2.088518);(246.0512,1.454155);(247.0596,7.01215);(248.0633,1.176011);(257.044,30.932514);(258.0483,4.777241);(274.0469,9.749671);(275.0526,2.439858);(285.039,13.404577);(286.0442,2.483775);(303.0497,67.403504);(304.0528,11.013517);(305.0548,1.781096) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (95.0491,1.693681);(105.0339,3.062215);(107.0497,1.373386);(109.0286,4.042512);(111.008,3.290304);(115.0546,4.23663);(117.0699,3.862953);(121.0287,8.987673);(123.0443,4.552072);(127.0544,3.833835);(128.0615,1.907211);(131.0493,4.770455);(133.0287,2.343977);(135.0442,2.800155);(136.0155,1.659711);(137.0236,36.018635);(138.0271,2.572066);(139.0541,1.121033);(143.0493,1.591769);(145.0649,9.249733);(149.0235,2.945744);(151.0389,1.222945);(153.0184,100.0);(154.0217,6.236048);(155.0495,27.428904);(156.0531,2.795302);(157.0648,1.271474);(159.0439,3.008832);(160.0512,1.32971);(161.0597,3.911482);(163.0389,5.610017);(165.0182,7.376492);(166.0249,2.043094);(173.0597,15.87887);(174.0632,1.882947);(177.0545,1.868388);(179.0338,5.823547);(183.044,12.549743);(184.0503,3.630011);(187.039,7.575463);(191.0338,1.451034);(200.0465,3.222362);(201.0545,22.784626);(202.0583,2.606037);(203.034,3.222362);(205.0492,1.533534);(211.039,5.833252);(212.0439,1.11618);(215.0336,1.101621);(217.0497,1.834417);(219.0287,1.222945);(228.0415,5.13928);(229.0495,32.602155);(230.0527,4.168689);(232.0367,1.751917);(239.0338,3.042803);(245.0443,2.300301);(256.0364,1.378239);(257.0445,7.502669);(258.0497,1.552946);(274.0471,1.795594);(285.0397,3.469863);(303.0499,3.319422) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (303.05,100.0);(304.062,3.82766) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (137.023,1.01253);(153.018,1.31193);(165.02,1.68437);(229.054,3.1916);(257.053,2.62174);(285.046,1.38938);(303.05,100.0);(304.061,5.13409) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (55.017,1.15258);(68.997,3.55712);(81.034,1.33255);(93.034,2.79499);(95.052,3.11033);(105.045,1.69875);(107.056,1.62207);(109.028,8.0047);(110.035,1.14867);(111.009,13.53678);(115.054,1.63302);(117.066,2.88498);(121.028,18.78717);(123.043,6.31299);(127.042,3.93427);(129.066,1.06182);(131.047,2.73944);(133.045,2.56416);(135.044,4.58842);(137.024,60.27387);(138.029,1.55712);(139.048,1.19405);(143.05,1.06495);(145.061,6.72692);(149.026,7.08059);(151.042,1.01565);(153.018,91.3928);(154.023,2.02973);(155.05,10.52426);(157.066,1.68153);(159.045,2.42332);(161.06,6.49139);(163.043,12.1518);(165.02,37.15962);(166.028,5.5579);(173.058,14.28013);(177.041,4.19562);(179.037,3.78404);(183.042,16.37715);(184.052,1.30829);(185.062,0.95383);(187.042,8.33333);(191.051,4.45462);(195.033,3.62363);(200.048,1.17762);(201.056,38.53678);(202.059,1.55164);(203.038,1.16588);(205.047,4.10407);(207.033,2.14789);(211.042,4.41862);(213.057,2.16041);(215.038,2.08842);(217.051,1.30282);(219.056,7.77699);(228.043,7.91862);(229.05,100.0);(230.054,4.19092);(232.038,2.38889);(233.046,1.54695);(239.035,6.45618);(245.046,2.70579);(246.055,2.00861);(247.063,10.23474);(257.05,41.54147);(258.055,2.63302);(274.049,10.35211);(275.056,1.76682);(285.038,13.23161);(286.043,1.24804);(303.05,69.05321);(304.054,3.23787) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (53.036,2.2158);(55.016,6.18382);(65.037,5.38565);(67.017,6.91078);(67.055,3.94518);(68.996,30.52943);(77.038,5.17065);(79.053,1.49557);(81.034,10.64096);(83.014,1.22319);(89.037,1.17764);(91.051,3.68852);(93.032,3.58103);(95.049,6.1247);(97.028,3.05294);(103.053,4.15614);(105.042,9.57807);(107.048,4.80382);(108.021,2.60414);(109.028,13.24778);(110.035,1.94571);(111.013,7.45499);(113.036,1.4015);(115.053,17.36092);(116.06,1.82881);(117.067,14.4316);(119.045,2.35421);(121.029,25.67858);(122.034,1.55603);(123.043,9.4961);(124.02,1.27627);(125.023,1.50766);(126.04,2.69686);(127.049,21.95646);(128.06,6.14485);(129.06,2.36092);(131.047,12.52083);(133.025,2.34883);(135.042,5.53615);(136.017,2.55845);(137.025,53.18463);(138.03,1.5426);(139.051,3.25585);(141.036,1.30073);(143.05,1.98065);(144.056,1.94034);(145.062,20.58586);(147.042,2.33271);(149.029,4.13061);(150.031,1.16111);(151.039,1.09567);(153.018,100.0);(154.025,2.85004);(155.051,59.59419);(156.055,2.60414);(157.063,1.7025);(159.044,5.00806);(160.054,2.07471);(161.053,7.39586);(163.043,6.94975);(165.021,6.74953);(166.028,1.51572);(171.046,2.00484);(172.053,1.1075);(173.061,18.74496);(176.049,1.19887);(177.036,3.65359);(179.037,5.62886);(183.047,16.99812);(184.055,4.74335);(187.044,11.12738);(191.049,1.69712);(200.049,4.81188);(201.058,18.11341);(203.037,5.11825);(211.043,7.14055);(217.053,2.47648);(219.044,1.79656);(227.036,1.43375);(228.045,7.35152);(229.053,37.32867);(230.056,1.76969);(232.04,1.55335);(239.036,3.33378);(245.049,4.16823);(257.053,4.88847);(285.041,2.6767) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (69.0,0.34957);(81.0,0.12262);(93.0,0.58637);(95.0,0.19505);(99.0,0.17092);(101.0,0.2225);(107.0,0.20448);(109.0,0.93856);(111.0,2.48246);(117.0,0.23572);(121.0,2.17983);(123.0,0.36919);(127.0,0.43215);(131.0,0.41694);(133.0,0.15235);(135.0,0.3977);(137.0,7.78675);(145.0,0.57962);(149.0,1.70769);(151.0,0.11158);(153.0,9.81828);(155.0,0.63085);(157.0,0.2579);(159.0,0.26069);(161.0,1.13662);(163.0,1.95063);(165.0,11.40045);(166.0,1.5921);(167.0,0.2185);(173.0,1.42856);(177.0,0.66803);(179.0,0.45917);(183.0,1.8405);(185.0,0.153);(187.0,1.50298);(189.0,0.27662);(191.0,1.08821);(193.0,0.39561);(194.0,0.13867);(195.0,1.1208);(201.0,6.69165);(205.0,0.77124);(207.0,0.16422);(211.0,0.54365);(213.0,1.02757);(215.0,0.67732);(217.0,0.22883);(218.0,0.17176);(219.0,1.67181);(221.0,0.45432);(223.0,0.13686);(228.0,0.46817);(229.0,21.43804);(231.0,0.17844);(232.0,0.14272);(233.0,0.17201);(235.0,0.18599);(239.0,0.5112);(241.0,0.14594);(243.0,0.15988);(245.0,0.16189);(247.0,3.07287);(257.0,12.64308);(258.0,0.14576);(274.0,3.18636);(275.0,0.89598);(285.0,6.41716);(303.0,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (53.0,0.23924);(55.0,0.36962);(65.0,0.74);(67.0,1.32073);(69.0,4.38064);(71.0,0.36632);(77.0,0.80986);(79.0,0.10089);(81.0,1.90454);(91.0,0.24072);(93.0,2.53574);(95.0,2.56217);(97.0,0.1831);(99.0,0.89066);(101.0,0.63731);(103.0,0.71467);(105.0,1.44424);(107.0,1.05889);(109.0,10.46814);(110.0,0.84832);(111.0,9.36263);(115.0,1.58013);(117.0,2.60279);(118.0,0.19699);(119.0,0.56534);(120.0,0.16815);(121.0,12.28594);(122.0,0.50056);(123.0,4.67139);(125.0,0.32648);(126.0,0.21337);(127.0,4.81313);(128.0,0.48186);(129.0,0.69752);(130.0,0.20173);(131.0,3.09388);(133.0,1.58967);(135.0,3.06085);(136.0,0.45368);(137.0,42.0331);(138.0,0.24823);(139.0,1.1058);(140.0,0.15355);(143.0,0.36021);(144.0,0.57617);(145.0,6.64815);(147.0,0.86509);(149.0,7.80901);(151.0,0.95273);(152.0,0.20824);(153.0,67.76363);(155.0,6.74297);(156.0,0.1608);(157.0,1.15764);(159.0,2.91853);(160.0,0.18107);(161.0,9.19956);(162.0,0.15892);(163.0,13.15859);(165.0,45.55821);(166.0,4.16361);(167.0,0.54777);(168.0,0.33198);(171.0,0.19582);(173.0,14.5794);(174.0,0.99537);(175.0,0.57488);(176.0,0.19665);(177.0,3.93774);(178.0,0.23702);(179.0,3.79881);(181.0,0.1716);(183.0,12.8608);(184.0,0.64911);(185.0,0.3345);(186.0,0.17653);(187.0,8.98606);(188.0,0.21833);(189.0,0.47094);(190.0,0.21212);(191.0,3.70802);(193.0,0.82259);(194.0,1.00511);(195.0,4.21208);(199.0,0.60259);(200.0,0.55337);(201.0,42.63311);(202.0,0.44112);(203.0,0.68799);(205.0,3.29635);(207.0,1.61873);(211.0,3.8772);(213.0,3.65792);(215.0,2.90138);(216.0,0.2652);(217.0,0.74536);(219.0,6.86482);(221.0,1.91014);(225.0,0.11608);(228.0,5.73228);(229.0,100.0);(230.0,0.14881);(231.0,0.75383);(232.0,1.19601);(233.0,0.25336);(236.0,0.13037);(239.0,4.96547);(240.0,0.22064);(241.0,0.37862);(243.0,1.21916);(245.0,2.29793);(246.0,1.77509);(247.0,8.0592);(256.0,0.21269);(257.0,45.83329);(258.0,1.10964);(259.0,0.14731);(261.0,0.23861);(267.0,0.84902);(269.0,0.49769);(273.0,0.39034);(274.0,13.25076);(275.0,1.12383);(285.0,16.08889);(286.0,0.81659);(301.0,0.18499);(302.0,0.17201);(303.0,99.61878) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.0,0.11931);(43.0,0.19665);(53.0,0.25501);(55.0,0.99695);(57.0,0.16086);(65.0,3.51985);(66.0,0.14733);(67.0,3.12152);(69.0,16.13514);(71.0,0.47158);(77.0,1.57483);(79.0,1.24508);(81.0,5.91622);(83.0,0.98371);(84.0,0.12612);(86.0,0.12824);(87.0,0.13919);(89.0,0.31743);(91.0,2.31227);(92.0,0.37174);(93.0,3.04699);(94.0,0.83915);(95.0,4.90006);(97.0,1.50274);(99.0,1.82686);(100.0,0.14235);(101.0,1.70216);(103.0,1.83678);(104.0,0.45572);(105.0,3.28569);(107.0,3.41206);(108.0,0.29067);(109.0,18.34873);(110.0,0.55728);(111.0,9.54809);(113.0,0.69854);(115.0,7.49791);(117.0,7.32328);(119.0,1.40338);(121.0,16.65211);(122.0,0.24278);(123.0,6.79121);(124.0,1.0495);(125.0,0.28503);(126.0,0.34523);(127.0,14.18297);(128.0,1.9383);(129.0,1.65326);(131.0,8.00234);(132.0,0.42482);(133.0,3.41215);(134.0,0.15691);(135.0,5.70906);(136.0,0.53111);(137.0,67.13044);(139.0,2.82427);(141.0,0.71649);(142.0,0.54524);(143.0,2.23465);(144.0,0.33442);(145.0,14.68606);(146.0,0.29343);(147.0,2.24433);(149.0,4.60929);(150.0,0.91766);(151.0,0.81151);(152.0,0.18401);(153.0,100.0);(155.0,27.7316);(157.0,3.77929);(158.0,0.36268);(159.0,4.48496);(160.0,1.55784);(161.0,11.82413);(162.0,0.18932);(163.0,11.51905);(165.0,28.16124);(166.0,2.89755);(167.0,0.65064);(168.0,0.24347);(169.0,0.41578);(171.0,0.95257);(172.0,0.18225);(173.0,25.83994);(174.0,0.47858);(175.0,1.19501);(176.0,0.27375);(177.0,5.15361);(178.0,0.31799);(179.0,7.92585);(183.0,24.13878);(184.0,2.52733);(185.0,0.32781);(187.0,18.96771);(188.0,0.47255);(189.0,1.3299);(190.0,0.71394);(191.0,4.98513);(192.0,0.22428);(193.0,0.86893);(194.0,0.26554);(195.0,2.36776);(197.0,0.18649);(198.0,0.12457);(200.0,2.07241);(201.0,48.71762);(202.0,1.01654);(203.0,1.26781);(204.0,0.67537);(205.0,2.34717);(207.0,1.97743);(211.0,7.8145);(212.0,0.50421);(213.0,1.76505);(215.0,2.54747);(216.0,0.32308);(217.0,3.27431);(218.0,0.3372);(219.0,4.59373);(221.0,1.97286);(223.0,0.20903);(224.0,0.15777);(227.0,0.34734);(228.0,11.54303);(229.0,93.11453);(230.0,0.47767);(231.0,0.85699);(232.0,2.67703);(233.0,0.5576);(235.0,0.16057);(238.0,0.27501);(239.0,6.1052);(240.0,0.10577);(241.0,0.33378);(243.0,0.99771);(245.0,4.90095);(246.0,0.97634);(247.0,3.46292);(255.0,0.69328);(256.0,1.30121);(257.0,23.27081);(258.0,1.01098);(261.0,0.43624);(267.0,0.33507);(268.0,0.16761);(269.0,0.73514);(273.0,0.53704);(274.0,6.63884);(283.0,0.18249);(285.0,9.51087);(286.0,1.57379);(301.0,0.44413);(303.0,13.80688) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (229.046,0.2002);(257.041,0.2002);(274.042,0.1001);(285.035,0.1001);(302.035,0.2002);(302.719,0.1001);(302.835,0.1001);(303.046,100.0);(303.416,0.1001);(304.049,12.21221);(305.052,0.4004) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (137.022,0.1001);(153.017,0.1001);(165.017,0.2002);(201.054,0.1001);(229.047,1.1011);(230.049,0.1001);(247.057,0.5005);(257.041,1.2012);(258.044,0.1001);(274.041,0.4004);(275.051,0.2002);(285.036,0.9009);(286.042,0.1001);(302.035,0.2002);(302.759,0.1001);(302.838,0.1001);(302.895,0.1001);(303.046,100.0);(303.577,0.1001);(303.663,0.1001);(304.05,12.01201);(305.051,0.5005) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (121.028,0.1001);(137.022,1.1011);(149.022,0.3003);(153.017,2.1021);(154.021,0.1001);(161.059,0.1001);(163.038,0.2002);(165.016,1.7017);(166.022,0.2002);(183.029,0.5005);(187.036,0.1001);(195.026,0.3003);(201.051,1.001);(202.055,0.1001);(205.045,0.2002);(207.027,0.1001);(211.036,0.1001);(213.051,0.2002);(215.03,0.2002);(219.054,0.7007);(228.04,0.3003);(229.046,7.90791);(230.05,0.8008);(233.037,0.2002);(239.029,0.3003);(245.045,0.1001);(246.049,0.1001);(247.056,2.2022);(248.059,0.2002);(257.041,7.20721);(258.044,0.9009);(267.019,0.1001);(274.043,2.002);(275.049,1.001);(285.036,3.8038);(286.038,0.7007);(302.763,0.1001);(303.046,100.0);(303.423,0.1001);(303.633,0.1001);(304.049,12.11211);(304.157,0.1001);(305.05,0.4004) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (111.0077,1.880217);(121.0282,2.882255);(137.0234,5.836847);(153.0182,8.024219);(165.0184,3.824204);(201.0547,2.086532);(229.0498,10.51673);(230.0539,0.942353);(247.0597,3.083);(257.0449,7.735886);(274.0464,2.910575);(285.0396,4.192362);(303.05,100.0) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (84.585587,0.064102);(93.033134,0.063194);(101.77961,0.05528);(109.028229,0.251586);(109.711578,0.070722);(111.007355,0.602757);(121.028114,1.151522);(123.082275,0.073444);(127.038353,0.081965);(135.043365,0.114401);(137.023163,3.344438);(145.063843,0.073323);(147.045242,0.081875);(149.023178,1.288667);(153.018036,3.042428);(155.219711,0.062324);(161.059799,0.815657);(161.579605,0.055505);(163.038818,0.989587);(165.018112,9.239753);(166.026489,0.503216);(166.957855,0.066494);(168.781387,0.059271);(173.059433,0.393221);(177.018448,0.253413);(183.044296,0.151705);(185.058762,0.177432);(187.039139,0.563805);(191.033508,0.328617);(193.050293,0.202465);(195.028717,0.942582);(201.054565,2.204552);(205.049713,0.515931);(211.039886,0.081275);(213.054535,1.098793);(215.033997,0.534474);(217.04895,0.079803);(219.064774,0.675791);(228.898575,0.097066);(229.04953,15.633643);(230.052841,0.275549);(233.045898,0.174003);(239.033356,0.338574);(241.049942,0.180707);(243.029129,0.117856);(247.060272,4.598411);(248.062073,0.096097);(256.863495,0.107471);(257.044586,17.44147);(258.048859,0.302642);(261.035339,0.085195);(267.029022,0.138087);(274.047363,2.635692);(275.055328,1.291417);(277.284393,0.068646);(285.039612,8.588722);(286.042206,0.223816);(294.618744,0.06042);(302.052155,0.095778);(302.456787,0.474347);(303.049866,100.0);(303.64743,0.416242);(303.818787,0.15708);(304.052795,33.066253);(304.285614,0.183029);(304.646606,0.122117);(307.559784,0.059155) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (55.01838972,0.1253447795);(57.03403978,0.0613224334);(79.01838972,0.0415054477);(83.01330434,0.1168866589);(85.0289544,0.0473965646);(109.0289544,3.908906525);(111.0446045,0.0501634901);(137.023869,0.1312936344);(153.0187836,0.3816577716);(165.0187836,0.0516045767);(167.0344337,0.2219778777);(195.0293483,0.2637512561);(207.0293483,0.2524289104);(219.0293483,0.2532632193);(221.0449984,0.0549092967);(245.0086129,0.0774366842);(245.0449984,0.0509232576);(247.0242629,0.0887442115);(247.0606485,0.0725692591);(249.039913,0.1448738847);(257.0086129,0.0903028987);(259.0242629,0.2243314429);(261.039913,0.2972211264);(271.0242629,0.2232334431);(273.039913,1.210013071);(275.0191776,0.2727007795);(277.0348276,0.0900155617);(285.039913,13.09243379);(287.0191776,0.1885377128);(287.0191776,0.4582297905);(303.0504777,77.45602064) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (43.01838972,0.4006755591);(55.01838972,0.6082605256);(56.99765427,0.3387955634);(57.03403978,0.2994529001);(79.01838972,1.459104459);(85.0289544,0.4399946373);(109.0289544,9.663839713);(137.023869,1.130319182);(149.023869,0.3193692717);(151.0395191,0.3760863831);(153.0187836,1.499897193);(167.0344337,0.9383014977);(195.0293483,0.3619859463);(219.0293483,1.363429805);(221.0449984,0.5522330821);(229.0500838,0.2993569168);(231.0293483,0.3350036567);(245.0086129,0.5185634603);(245.0449984,0.8340855781);(247.0242629,0.3598927057);(247.0606485,1.005111021);(249.039913,0.5641029483);(255.0293483,0.7623384184);(259.0242629,1.189116202);(261.039913,1.734592139);(271.0242629,0.8317724826);(273.039913,8.690112671);(285.039913,16.85407944);(287.0191776,0.627136117);(287.0191776,0.7006433726);(303.0504777,44.94234716) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,5.637026229);(53.03912516,3.043311508);(55.01838972,2.555352366);(67.01838972,2.566271411);(68.99765427,1.680651878);(69.03403978,4.587951816);(79.01838972,3.761955086);(81.03403978,1.128781819);(83.01330434,1.509279388);(85.0289544,2.285325754);(93.03403978,2.469084676);(95.01330434,1.440677982);(109.0289544,9.818060177);(111.008219,1.303782851);(111.0446045,2.310619295);(121.0289544,3.132770772);(137.023869,11.58963004);(153.0187836,10.610859);(177.0187836,0.9696298202);(217.0500838,0.9400335978);(219.0293483,2.257236994);(229.0500838,4.967396732);(231.0293483,1.747166951);(241.0136983,1.042683551);(243.0293483,1.421036635);(247.0606485,1.175511672);(255.0293483,1.661434742);(259.0242629,1.48984088);(261.039913,2.56126609);(273.039913,1.080707203);(285.039913,7.254663087) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.0556454855);(41.00273965,0.1007238186);(53.00273965,0.0820154046);(55.01838972,0.084189591);(83.01330434,0.0418047472);(107.0133043,0.0785015515);(109.0289544,0.2584911348);(135.008219,1.475131828);(137.023869,0.0367857198);(147.008219,0.0774669583);(149.023869,1.053880446);(151.0031336,1.383967222);(153.0187836,0.2626138504);(165.0187836,1.123310684);(175.0031336,0.0398003277);(193.0136983,1.085277725);(217.0136983,0.0557107436);(227.0344337,0.0323166862);(231.0293483,0.2375808962);(243.0293483,0.2084538811);(245.0086129,0.1175831317);(245.0449984,1.606597541);(247.0242629,0.0702938492);(257.0086129,0.1300658582);(259.0242629,0.6506572119);(271.0242629,0.5131974883);(273.0035275,0.0599664801);(275.0191776,0.22090374);(283.0242629,3.029404488);(285.0035275,0.1610584288);(301.0348276,85.66660308) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00273965,0.5519943267);(53.00273965,0.1928808782);(55.01838972,0.3458810282);(83.01330434,0.5041368177);(107.0133043,0.471213621);(109.0289544,0.6664320592);(135.008219,1.413067407);(137.023869,0.2307725094);(147.008219,0.3759860718);(149.023869,2.500976004);(151.0031336,4.648931184);(153.0187836,0.1875819728);(165.0187836,1.119653305);(193.0136983,2.811817866);(205.0136983,0.4680240088);(217.0136983,0.7820496244);(229.0136983,0.2942907563);(231.0293483,1.016397716);(243.0293483,1.601473009);(245.0449984,3.553829557);(247.0242629,0.3021880546);(254.9929628,0.3991837446);(257.0086129,1.801410392);(259.0242629,4.996194831);(269.0086129,0.4805105077);(271.0242629,0.9603124713);(273.0035275,0.3943340335);(275.0191776,0.4721150396);(283.0242629,6.535949368);(285.0035275,1.286643099);(301.0348276,58.63376874) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,5.097279702);(43.01838972,0.8844317486);(65.00273965,6.026708172);(67.01838972,4.917193885);(83.01330434,5.242670043);(91.01838972,3.391122964);(92.99765427,3.509703233);(107.0133043,2.822162647);(109.0289544,10.5481236);(119.0133043,1.638762827);(125.023869,1.764010809);(131.0133043,1.158885267);(135.008219,7.935813539);(137.023869,1.054678725);(147.008219,2.387958697);(149.023869,4.994523192);(151.0031336,6.624729975);(165.0187836,2.938353818);(175.0031336,1.357654383);(189.0187836,0.8099560427);(193.0136983,2.103959171);(203.0344337,1.891420023);(217.0136983,3.430761815);(231.0293483,2.280200772);(242.9929628,0.8835686497);(245.0449984,1.819785533);(257.0086129,1.723540086);(259.0242629,3.797299514);(271.0242629,2.23929576);(283.0242629,3.648772833);(301.0348276,1.076672575) |
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