| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.139);(71.0,0.032);(72.0,0.146);(76.0,0.025);(77.0,0.022);(78.0,0.012);(79.0,0.04);(80.0,0.055);(81.0,0.123);(82.0,0.047);(83.0,0.058);(84.0,0.506);(85.0,0.08);(86.0,0.107);(87.0,0.049);(88.0,0.031);(89.0,0.009);(90.0,0.005);(91.0,0.092);(92.0,0.011);(93.0,0.078);(94.0,0.294);(95.0,0.101);(96.0,0.039);(97.0,0.042);(98.0,0.092);(99.0,0.064);(100.0,0.166);(101.0,0.025);(102.0,0.058);(103.0,0.008);(104.0,0.02);(105.0,0.005);(106.0,0.022);(107.0,0.047);(108.0,0.07);(109.0,0.027);(110.0,0.031);(111.0,0.087);(112.0,0.035);(113.0,0.06);(114.0,0.022);(115.0,0.014);(116.0,0.01);(117.0,0.002);(118.0,0.016);(119.0,0.026);(120.0,0.045);(121.0,0.035);(122.0,0.077);(123.0,0.07);(124.0,0.04);(125.0,0.09);(126.0,0.038);(127.0,0.024);(128.0,0.007);(129.0,0.004);(130.0,0.005);(131.0,0.001);(132.0,0.002);(133.0,0.01);(134.0,0.015);(135.0,0.45);(136.0,0.083);(137.0,0.027);(138.0,0.026);(139.0,0.138);(140.0,0.067);(141.0,0.065);(142.0,0.01);(143.0,0.004);(144.0,0.001);(145.0,0.0);(146.0,0.0);(150.0,0.042);(151.0,0.025);(152.0,0.154);(153.0,0.039);(154.0,0.042);(155.0,0.019);(156.0,0.004);(157.0,0.001);(159.0,0.0);(160.0,0.0);(161.0,0.007);(162.0,0.005);(163.0,0.027);(164.0,0.009);(165.0,0.011);(166.0,0.05);(167.0,0.08);(168.0,0.026);(169.0,0.01);(170.0,0.003);(171.0,0.0);(174.0,0.0);(175.0,0.0);(176.0,0.002);(177.0,0.02);(178.0,0.171);(179.0,0.045);(180.0,0.087);(181.0,0.051);(182.0,0.063);(183.0,0.014);(184.0,0.004);(185.0,0.001);(189.0,0.001);(191.0,0.007);(192.0,0.005);(193.0,0.022);(194.0,0.035);(195.0,0.023);(196.0,0.02);(197.0,0.01);(198.0,0.003);(199.0,0.0);(205.0,0.002);(206.0,0.002);(207.0,0.078);(209.0,0.18);(210.0,0.059);(211.0,0.016);(212.0,0.004);(213.0,0.0);(215.0,0.0);(216.0,0.0);(218.0,0.001);(219.0,0.004);(220.0,0.001);(221.0,0.013);(222.0,0.009);(223.0,0.1);(224.0,0.021);(225.0,0.007);(226.0,0.001);(227.0,0.001);(228.0,0.001);(229.0,0.001);(230.0,0.001);(231.0,0.0);(233.0,0.001);(234.0,0.002);(235.0,0.01);(236.0,0.081);(237.0,1.0);(238.0,0.169);(239.0,0.052);(240.0,0.005);(241.0,0.001);(242.0,0.001);(243.0,0.001);(244.0,0.002);(245.0,0.001);(246.0,0.001);(248.0,0.002);(249.0,0.001);(251.0,0.054);(252.0,0.691);(253.0,0.146);(254.0,0.043);(255.0,0.006);(256.0,0.001);(258.0,0.0);(259.0,0.0);(271.0,0.0);(295.0,0.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (45.0,0.2);(46.0,0.3);(47.0,0.5);(48.0,0.06);(49.0,0.8);(51.0,0.6);(52.0,0.6);(53.0,1.34);(54.0,2.0);(55.0,1.0);(56.0,2.7);(57.0,0.04);(58.0,0.2);(65.0,0.2);(66.0,1.4);(67.0,0.36);(68.0,36.1);(69.0,0.4);(70.0,0.2);(71.0,0.01);(72.0,0.1);(80.0,0.8);(81.0,2.4);(82.0,0.09);(83.0,0.7);(84.0,0.2);(85.0,0.1);(90.0,0.02);(91.0,0.4);(92.0,1.4);(93.0,1.0);(94.0,0.52);(95.0,51.5);(96.0,8.2);(97.0,1.9);(98.0,0.01);(99.0,0.2);(100.0,0.2);(106.0,0.2);(107.0,0.01);(108.0,2.1);(109.0,1.9);(110.0,2.0);(111.0,0.01);(112.0,0.4);(113.0,0.2);(114.0,0.1);(115.0,0.02);(116.0,0.1);(121.0,1.0);(122.0,5.0);(123.0,1.23);(124.0,2.6);(125.0,1.0);(126.0,0.2);(127.0,0.01);(135.0,0.2);(136.0,1.0);(137.0,4.9);(138.0,0.19);(139.0,1.0);(140.0,0.2);(143.0,0.1);(144.0,0.02);(145.0,0.1);(148.0,0.1);(149.0,0.4);(150.0,0.01);(151.0,4.9);(152.0,2.0);(153.0,1.0);(154.0,0.09);(155.0,0.2);(177.0,0.4);(178.0,1.0);(179.0,0.16);(180.0,99.99);(181.0,8.1);(182.0,2.4);(183.0,0.04);(184.0,0.2) | | GC-MS | CI-B | positive | Not Available | View Spectrum | (180.0,6.0);(181.0,99.99);(182.0,9.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (15.0,4.32);(18.0,1.21);(27.0,1.09);(28.0,6.62);(38.0,1.08);(39.0,1.63);(40.0,5.47);(41.0,15.87);(42.0,5.54);(53.0,13.56);(54.0,1.8);(56.0,2.72);(58.0,1.23);(66.0,1.97);(67.0,6.14);(68.0,32.77);(69.0,2.97);(70.0,1.82);(81.0,1.03);(94.0,5.14);(95.0,47.92);(96.0,8.27);(122.0,5.06);(123.0,7.98);(124.0,3.25);(136.0,1.26);(151.0,7.2);(152.0,2.44);(179.0,1.0);(180.0,99.99);(181.0,9.4) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.139);(71.0,0.032);(72.0,0.146);(76.0,0.025);(77.0,0.022);(78.0,0.012);(79.0,0.04);(80.0,0.055);(81.0,0.123);(82.0,0.047);(83.0,0.058);(84.0,0.506);(85.0,0.08);(86.0,0.107);(87.0,0.049);(88.0,0.031);(89.0,0.009);(90.0,0.005);(91.0,0.092);(92.0,0.011);(93.0,0.078);(94.0,0.294);(95.0,0.101);(96.0,0.039);(97.0,0.042);(98.0,0.092);(99.0,0.064);(100.0,0.166);(101.0,0.025);(102.0,0.058);(103.0,0.008);(104.0,0.02);(105.0,0.005);(106.0,0.022);(107.0,0.047);(108.0,0.07);(109.0,0.027);(110.0,0.031);(111.0,0.087);(112.0,0.035);(113.0,0.06);(114.0,0.022);(115.0,0.014);(116.0,0.01);(117.0,0.002);(118.0,0.016);(119.0,0.026);(120.0,0.045);(121.0,0.035);(122.0,0.077);(123.0,0.07);(124.0,0.04);(125.0,0.09);(126.0,0.038);(127.0,0.024);(128.0,0.007);(129.0,0.004);(130.0,0.005);(131.0,0.001);(132.0,0.002);(133.0,0.01);(134.0,0.015);(135.0,0.45);(136.0,0.083);(137.0,0.027);(138.0,0.026);(139.0,0.138);(140.0,0.067);(141.0,0.065);(142.0,0.01);(143.0,0.004);(144.0,0.001);(145.0,0.0);(146.0,0.0);(150.0,0.042);(151.0,0.025);(152.0,0.154);(153.0,0.039);(154.0,0.042);(155.0,0.019);(156.0,0.004);(157.0,0.001);(159.0,0.0);(160.0,0.0);(161.0,0.007);(162.0,0.005);(163.0,0.027);(164.0,0.009);(165.0,0.011);(166.0,0.05);(167.0,0.08);(168.0,0.026);(169.0,0.01);(170.0,0.003);(171.0,0.0);(174.0,0.0);(175.0,0.0);(176.0,0.002);(177.0,0.02);(178.0,0.171);(179.0,0.045);(180.0,0.087);(181.0,0.051);(182.0,0.063);(183.0,0.014);(184.0,0.004);(185.0,0.001);(189.0,0.001);(191.0,0.007);(192.0,0.005);(193.0,0.022);(194.0,0.035);(195.0,0.023);(196.0,0.02);(197.0,0.01);(198.0,0.003);(199.0,0.0);(205.0,0.002);(206.0,0.002);(207.0,0.078);(209.0,0.18);(210.0,0.059);(211.0,0.016);(212.0,0.004);(213.0,0.0);(215.0,0.0);(216.0,0.0);(218.0,0.001);(219.0,0.004);(220.0,0.001);(221.0,0.013);(222.0,0.009);(223.0,0.1);(224.0,0.021);(225.0,0.007);(226.0,0.001);(227.0,0.001);(228.0,0.001);(229.0,0.001);(230.0,0.001);(231.0,0.0);(233.0,0.001);(234.0,0.002);(235.0,0.01);(236.0,0.081);(237.0,1.0);(238.0,0.169);(239.0,0.052);(240.0,0.005);(241.0,0.001);(242.0,0.001);(243.0,0.001);(244.0,0.002);(245.0,0.001);(246.0,0.001);(248.0,0.002);(249.0,0.001);(251.0,0.054);(252.0,0.691);(253.0,0.146);(254.0,0.043);(255.0,0.006);(256.0,0.001);(258.0,0.0);(259.0,0.0);(271.0,0.0);(295.0,0.0) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (29.02599842,1.222325146);(55.00526332,0.9390349852);(56.01308792,0.8898839158);(57.02091252,2.017802043);(68.03689622,0.9043492454);(85.01582662,0.9328973531);(93.03214482,2.804648544);(94.01616112,1.770728347);(94.03996942,4.76721842);(95.04779402,11.40314608);(96.03181032,1.727878746);(96.05561862,5.808235537);(108.0192343,1.188432927);(121.0270589,1.551503182);(122.0348835,5.127883977);(123.0427081,10.44863248);(124.0505327,5.257438852);(125.0583573,2.875778142);(126.0661819,2.489915887);(138.0423736,1.309889436);(150.0536059,1.903534805);(151.0376222,2.144033479);(151.0614305,2.102822695);(152.0454468,1.164041343);(152.0692551,5.798770435);(153.0532714,5.932021284);(154.061096,1.521115528);(164.0328708,2.204779003);(165.0406954,3.712850972);(179.0563446,1.628655488);(180.0641692,6.449751724) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (26.00252462,0.9844126071);(27.01034922,0.9810729313);(28.01817382,1.549782292);(57.02091252,1.367087289);(68.03689622,1.917576883);(69.04472082,1.052695449);(93.03214482,1.573538311);(94.01616112,2.045134069);(94.03996942,2.206216269);(95.04779402,3.978002313);(96.03181032,2.481186819);(96.05561862,1.229504015);(108.0192343,1.315130336);(121.0270589,1.299811658);(122.0348835,4.409025306);(123.0427081,9.373562509);(124.0505327,3.896485426);(125.0583573,2.323801675);(126.0661819,2.072771151);(138.0423736,0.9704352655);(150.0536059,1.088531825);(151.0376222,2.407252638);(151.0614305,1.957403948);(152.0454468,1.253658469);(152.0692551,4.015147377);(153.0532714,4.483643327);(154.061096,1.378167897);(164.0328708,1.424409465);(165.0406954,2.26079423);(179.0563446,1.360473993);(180.0641692,4.664611141) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (120.392,35.577);(121.389,100.0);(121.514,68.392);(180.468,35.267);(180.966,32.655);(181.589,20.722) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (42.254,10.311);(69.421,18.098);(69.546,11.672);(95.467,10.364);(96.339,37.669);(96.713,40.044);(123.383,53.894);(123.757,100.0);(124.505,67.335);(180.468,12.04);(181.465,29.11);(181.589,16.924) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (42.379,85.572);(42.504,100.0);(68.424,15.055);(69.296,63.941);(69.546,56.867);(94.345,11.369);(94.595,11.251);(96.215,14.563);(96.713,10.715);(108.926,14.921) | | LC-MS/MS | EI-B (Unknown) | Positive | Not Available | View Spectrum | (45.0,0.002002002);(46.0,0.003003003);(47.0,0.005005005);(48.0,0.001001001);(49.0,0.008008008);(51.0,0.006006006);(52.0,0.006006006);(53.0,0.013013013);(54.0,0.02002002);(55.0,0.01001001);(56.0,0.027027027);(57.0,0.0);(58.0,0.002002002);(65.0,0.002002002);(66.0,0.014014014);(67.0,0.004004004);(68.0,0.3613613614);(69.0,0.004004004);(70.0,0.002002002);(71.0,0.0);(72.0,0.001001001);(80.0,0.008008008);(81.0,0.024024024);(82.0,0.001001001);(83.0,0.007007007);(84.0,0.002002002);(85.0,0.001001001);(90.0,0.0);(91.0,0.004004004);(92.0,0.014014014);(93.0,0.01001001);(94.0,0.005005005);(95.0,0.5155155155);(96.0,0.0820820821);(97.0,0.019019019);(98.0,0.0);(99.0,0.002002002);(100.0,0.002002002);(106.0,0.002002002);(107.0,0.0);(108.0,0.021021021);(109.0,0.019019019);(110.0,0.02002002);(111.0,0.0);(112.0,0.004004004);(113.0,0.002002002);(114.0,0.001001001);(115.0,0.0);(116.0,0.001001001);(121.0,0.01001001);(122.0,0.0500500501);(123.0,0.012012012);(124.0,0.026026026);(125.0,0.01001001);(126.0,0.002002002);(127.0,0.0);(135.0,0.002002002);(136.0,0.01001001);(137.0,0.049049049);(138.0,0.002002002);(139.0,0.01001001);(140.0,0.002002002);(143.0,0.001001001);(144.0,0.0);(145.0,0.001001001);(148.0,0.001001001);(149.0,0.004004004);(150.0,0.0);(151.0,0.049049049);(152.0,0.02002002);(153.0,0.01001001);(154.0,0.001001001);(155.0,0.002002002);(177.0,0.004004004);(178.0,0.01001001);(179.0,0.002002002);(180.0,1.0);(181.0,0.0810810811);(182.0,0.024024024);(183.0,0.0);(184.0,0.002002002) | | LC-MS/MS | CI-B (Unknown) | Positive | Not Available | View Spectrum | (180.0,0.0600600601);(181.0,1.0);(182.0,0.0900900901) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.2,0.001001001);(89.1,0.001001001);(93.6,0.001001001);(96.9,0.001001001);(119.0,0.001001001);(122.2,0.001001001);(135.3,0.001001001);(142.7,0.001001001);(164.1,0.003003003);(178.2,0.001001001);(179.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (58.8,0.001001001);(78.9,0.001001001);(93.9,0.001001001);(97.3,0.001001001);(106.6,0.001001001);(108.7,0.001001001);(119.9,0.001001001);(122.1,0.0500500501);(134.8,0.006006006);(135.8,0.001001001);(140.1,0.001001001);(162.5,0.001001001);(164.1,0.1471471471);(176.8,0.001001001);(179.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (65.6,0.001001001);(66.1,0.008008008);(66.9,0.005005005);(68.1,0.001001001);(79.1,0.048048048);(84.9,0.001001001);(91.2,0.001001001);(91.9,0.006006006);(92.8,0.001001001);(94.2,0.1471471471);(94.8,0.001001001);(97.1,0.002002002);(107.3,0.03003003);(109.3,0.021021021);(117.1,0.001001001);(120.0,0.008008008);(122.1,0.7467467467);(134.4,0.005005005);(135.1,0.1951951952);(136.1,0.039039039);(140.4,0.001001001);(161.8,0.001001001);(164.1,1.0);(177.0,0.001001001);(178.1,0.001001001);(179.2,0.4454454454) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (38.2,0.002002002);(40.3,0.001001001);(41.9,0.003003003);(51.6,0.002002002);(55.4,0.007007007);(64.7,0.001001001);(65.9,0.2892892893);(67.1,0.0640640641);(68.1,0.006006006);(79.0,0.6476476476);(79.9,0.002002002);(84.9,0.001001001);(89.0,0.001001001);(91.1,0.003003003);(92.3,0.0900900901);(93.0,0.006006006);(94.1,0.6916916917);(95.1,0.008008008);(97.1,0.004004004);(106.4,0.004004004);(107.0,0.5615615616);(108.0,0.004004004);(109.0,0.0830830831);(117.0,0.001001001);(119.9,0.0530530531);(121.0,0.043043043);(122.1,0.8758758759);(134.1,0.006006006);(135.0,1.0);(136.0,0.0920920921);(162.1,0.001001001);(163.3,0.005005005);(164.0,0.6186186186);(177.3,0.001001001);(179.0,0.0530530531) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (26.1,0.001001001);(38.0,0.017017017);(39.9,0.005005005);(42.0,0.018018018);(51.9,0.007007007);(54.9,0.044044044);(63.8,0.003003003);(65.2,0.026026026);(66.1,0.7647647648);(67.0,0.1061061061);(68.3,0.006006006);(69.1,0.001001001);(79.0,1.0);(80.3,0.006006006);(81.5,0.004004004);(89.2,0.001001001);(89.4,0.001001001);(91.1,0.003003003);(92.2,0.1991991992);(94.2,0.4154154154);(95.1,0.008008008);(97.2,0.003003003);(105.8,0.001001001);(107.0,0.5505505506);(108.0,0.026026026);(109.0,0.042042042);(119.9,0.035035035);(120.9,0.008008008);(122.1,0.1791791792);(134.1,0.006006006);(134.9,0.5115115115);(136.3,0.021021021);(163.9,0.0620620621);(178.9,0.002002002) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (34.9,0.001001001);(59.1,0.001001001);(97.0,0.001001001);(115.2,0.001001001);(122.4,0.001001001);(135.1,0.001001001);(144.9,0.001001001);(163.8,0.003003003);(179.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (58.8,0.001001001);(74.6,0.001001001);(79.2,0.001001001);(93.6,0.001001001);(94.3,0.001001001);(96.8,0.002002002);(108.3,0.001001001);(120.0,0.001001001);(121.9,0.0530530531);(134.9,0.004004004);(136.0,0.001001001);(137.0,0.004004004);(139.8,0.001001001);(146.7,0.001001001);(151.1,0.001001001);(164.2,0.1531531532);(177.5,0.001001001);(178.1,0.001001001);(179.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (45.3,0.001001001);(58.8,0.003003003);(66.0,0.009009009);(67.0,0.006006006);(79.1,0.0500500501);(92.4,0.009009009);(92.7,0.001001001);(94.1,0.1421421421);(94.8,0.003003003);(97.0,0.004004004);(107.2,0.032032032);(107.9,0.008008008);(109.2,0.018018018);(119.1,0.003003003);(120.3,0.008008008);(121.0,0.011011011);(121.9,0.7427427427);(134.4,0.005005005);(134.9,0.1861861862);(136.2,0.041041041);(137.0,0.003003003);(146.9,0.001001001);(151.3,0.002002002);(164.2,1.0);(179.1,0.4654654655) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (42.0,0.006006006);(51.7,0.003003003);(66.2,0.2902902903);(66.9,0.0630630631);(67.8,0.009009009);(79.3,0.6596596597);(92.2,0.1171171171);(94.2,0.7287287287);(96.7,0.011011011);(106.9,0.6316316316);(109.2,0.1021021021);(120.0,0.048048048);(121.0,0.03003003);(122.2,0.8588588589);(135.0,1.0);(136.1,0.0980980981);(163.9,0.6246246246);(179.1,0.0520520521) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (42.1,0.018018018);(54.9,0.047047047);(64.1,0.006006006);(66.0,0.7847847848);(67.0,0.1151151151);(79.0,1.0);(92.0,0.1971971972);(93.6,0.044044044);(93.9,0.3233233233);(94.8,0.006006006);(107.1,0.6066066066);(108.1,0.045045045);(109.3,0.045045045);(120.3,0.04004004);(121.9,0.1411411411);(134.9,0.4784784785);(164.3,0.0740740741);(179.1,0.008008008) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (54.9,0.005005005);(59.1,0.008008008);(63.0,0.0680680681);(72.9,0.033033033);(77.2,0.047047047);(80.7,0.016016016);(83.3,0.005005005);(91.0,0.024024024);(98.7,0.006006006);(99.8,0.004004004);(101.3,0.003003003);(102.1,0.007007007);(104.6,0.004004004);(107.3,0.011011011);(108.1,0.009009009);(108.7,0.003003003);(112.9,0.005005005);(114.0,0.003003003);(116.7,0.004004004);(117.5,0.002002002);(120.1,0.03003003);(121.0,0.2062062062);(123.1,0.014014014);(131.0,0.008008008);(145.0,0.006006006);(147.2,0.004004004);(149.2,0.027027027);(163.1,0.026026026);(164.2,0.2222222222);(181.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (39.1,0.007007007);(41.3,0.009009009);(55.2,0.023023023);(58.4,0.01001001);(59.3,0.007007007);(61.9,0.01001001);(62.8,0.1891891892);(73.2,0.021021021);(73.8,0.014014014);(76.9,0.1831831832);(80.8,0.049049049);(84.0,0.009009009);(84.5,0.019019019);(89.1,0.0630630631);(90.2,0.047047047);(95.9,0.031031031);(99.3,0.009009009);(101.1,0.027027027);(101.9,0.0570570571);(107.1,0.036036036);(108.0,0.024024024);(109.9,0.01001001);(113.8,0.003003003);(118.7,0.003003003);(120.3,0.017017017);(120.5,0.004004004);(121.1,0.007007007);(124.2,0.3863863864);(149.1,0.007007007);(163.2,0.009009009);(164.1,0.049049049);(181.1,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (40.7,0.017017017);(44.9,0.046046046);(45.3,0.022022022);(56.0,0.015015015);(58.1,0.019019019);(62.8,0.0950950951);(69.2,0.1121121121);(73.3,0.024024024);(76.9,0.1241241241);(80.4,0.012012012);(81.2,0.029029029);(83.0,0.027027027);(84.9,0.024024024);(96.2,0.3833833834);(107.6,0.015015015);(109.0,0.015015015);(110.3,0.01001001);(113.7,0.007007007);(123.2,0.01001001);(124.1,1.0);(181.1,0.1191191191) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (44.9,0.1091091091);(69.2,1.0);(83.3,0.0670670671);(96.0,0.4034034034);(96.3,0.3193193193);(105.9,0.0500500501);(109.1,0.0590590591);(120.6,0.042042042);(123.9,0.4874874875) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (69.3,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (58.9,0.022022022);(62.9,0.1141141141);(69.0,0.0960960961);(72.0,0.009009009);(73.0,0.0500500501);(77.0,0.0570570571);(80.9,0.015015015);(84.7,0.011011011);(89.8,0.022022022);(90.8,0.0610610611);(95.8,0.1251251251);(99.2,0.033033033);(99.9,0.022022022);(102.0,0.015015015);(104.2,0.006006006);(104.8,0.018018018);(107.3,0.011011011);(112.9,0.0630630631);(116.9,0.022022022);(117.5,0.006006006);(120.9,0.4534534535);(122.4,0.007007007);(131.1,0.1751751752);(131.9,0.4884884885);(135.9,0.018018018);(145.2,0.009009009);(146.1,0.1691691692);(148.5,0.009009009);(149.3,0.1451451451);(163.4,0.0720720721);(164.3,1.0);(181.2,0.7657657658) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.9,0.0610610611);(40.8,0.0510510511);(44.9,0.0920920921);(55.4,0.0510510511);(58.4,0.0610610611);(59.5,0.031031031);(63.0,0.4594594595);(69.3,0.3983983984);(70.9,0.2852852853);(71.9,0.5915915916);(72.9,0.0920920921);(77.1,0.5205205205);(80.8,0.0510510511);(84.9,0.0510510511);(87.2,0.0610610611);(89.0,0.1831831832);(89.3,0.1331331331);(90.1,0.2552552553);(95.0,0.0820820821);(96.1,0.6326326326);(99.0,0.7247247247);(99.8,1.0);(100.5,0.0610610611);(101.7,0.2452452452);(107.3,0.2752752753);(108.2,0.1221221221);(114.0,0.1941941942);(118.7,0.1331331331);(121.3,0.0610610611);(123.9,0.1331331331);(131.0,0.1431431431);(132.2,0.2142142142);(136.4,0.3873873874);(139.1,0.0610610611);(145.9,0.0920920921);(164.5,0.2752752753);(181.4,0.7757757758) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.7,0.0990990991);(44.9,0.3213213213);(46.2,0.037037037);(57.0,0.1851851852);(69.3,0.5555555556);(71.2,0.8768768769);(72.0,1.0);(73.6,0.0620620621);(76.6,0.1231231231);(81.1,0.2472472472);(84.6,0.0860860861);(86.1,0.1361361361);(88.9,0.0620620621);(89.9,0.0620620621);(91.3,0.1111111111);(95.9,0.5925925926);(99.1,0.3953953954);(99.4,0.1361361361);(100.3,0.049049049);(117.5,0.1481481481);(122.3,0.0740740741);(123.9,0.3083083083);(164.6,0.049049049) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (44.3,0.1351351351);(44.9,0.2162162162);(54.8,0.1081081081);(56.6,0.1081081081);(58.1,0.2162162162);(69.1,0.5945945946);(71.0,0.7297297297);(72.1,1.0);(80.8,0.4054054054);(91.0,0.3783783784);(92.0,0.0810810811);(95.8,0.4054054054);(99.0,0.1351351351);(118.1,0.1351351351) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (44.1,0.4004004004);(56.4,0.2002002002);(68.9,1.0);(71.3,0.6666666667);(72.3,0.4664664665);(81.1,0.5995995996);(95.7,0.3333333333);(108.8,0.2002002002) | | LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (124.050133,7196.0);(125.055031,189.0);(137.081833,615.0);(142.058365,715.0);(181.070923,11303.0);(182.074173,306.0);(765.732727,376.0);(1081.180786,123.0) | | LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | (49.636822,172.0);(52.540054,172.0);(52.934643,172.0);(53.11871,144.0);(53.27113,148.0);(53.54604,236.0);(54.895798,144.0);(55.024166,200.0);(59.96244,176.0);(60.07346,156.0);(60.122833,192.0);(60.342175,184.0);(60.747929,284.0);(61.349751,140.0);(63.018085,180.0);(64.065186,168.0);(71.310051,200.0);(71.400841,240.0);(71.931587,160.0);(73.278122,192.0);(78.88279,200.0);(91.032295,156.0);(91.054893,5256.0);(91.121109,132.0);(92.058609,248.0);(94.207993,160.0);(96.079453,144.0);(96.648003,256.0);(97.092674,212.0);(98.255173,176.0);(99.291664,176.0);(101.953629,136.0);(106.040497,188.0);(110.059212,148.0);(116.957207,176.0);(117.96888,168.0);(118.945831,220.0);(119.085907,13564.0);(119.954475,116.0);(120.088806,1648.0);(122.627106,156.0);(125.616081,140.0);(125.959846,176.0);(127.027596,172.0);(127.088165,168.0);(128.934677,192.0);(141.027542,192.0);(141.98642,176.0);(145.033493,160.0);(145.11499,192.0);(145.955353,148.0);(148.113785,408.0);(148.714233,164.0);(150.493744,200.0);(157.104538,140.0);(162.451782,184.0);(164.990768,156.0);(167.00116,200.0);(167.977386,204.0);(177.644287,176.0);(178.108505,228.0);(185.943588,172.0);(187.053223,208.0);(187.905518,196.0);(188.017395,156.0);(188.036499,144.0);(188.058334,176.0);(188.144348,14532.0);(188.281021,176.0);(188.370407,124.0);(189.055878,140.0);(189.147095,1684.0);(190.09996,148.0);(190.150391,232.0);(190.398514,116.0);(190.588013,168.0);(910.572937,164.0);(1261.658081,152.0);(1277.14502,156.0);(1346.288818,144.0);(1355.395996,204.0);(1368.610107,148.0);(1399.649902,224.0);(1402.294556,148.0);(1424.51001,236.0);(1439.059937,160.0);(1445.159424,208.0);(1509.552856,148.0);(1509.645752,148.0);(1534.282593,268.0);(1537.831787,196.0);(1557.618164,204.0);(1607.011108,192.0);(1608.232056,180.0);(1654.777588,140.0);(1669.057739,208.0);(1740.182129,176.0);(1741.785889,172.0);(1800.272461,216.0);(1802.325195,152.0);(1805.571289,156.0);(1812.605957,168.0);(1838.790161,144.0);(1885.485474,188.0);(1920.291504,176.0);(1952.108154,168.0);(1955.493896,204.0);(1965.788574,208.0);(1989.837524,152.0);(1997.782593,208.0);(1998.298584,180.0);(1999.766846,184.0);(2002.188477,140.0) | | LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | (50.983669,148.0);(66.471848,156.0);(95.04406,124.0);(97.059135,144.0);(98.958687,160.0);(109.026817,324.0);(110.023148,128.0);(110.581291,172.0);(123.868164,248.0);(124.049065,1196.0);(125.062836,184.0);(126.350487,148.0);(126.984444,172.0);(167.068604,204.0);(181.072769,164.0);(185.924973,68.0);(982.347412,160.0);(1138.143555,184.0);(1236.920044,208.0);(1241.937256,180.0);(1281.443237,136.0);(1408.560791,148.0);(1482.574097,160.0) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (122.036,0.697578);(140.0466,0.108033);(164.0341,3.086578);(179.0575,100.0) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (122.0361,1.08842);(140.0467,0.125492);(164.0341,4.289281);(179.0575,100.0) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (65.9985,0.153632);(79.0175,0.230183);(94.0411,0.825721);(122.0361,14.102473);(135.0074,0.31791);(135.0312,0.192885);(136.0392,0.177158);(140.0467,1.033429);(164.0342,37.794045);(179.0575,100.0) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (65.9986,1.259676);(66.0098,0.138264);(67.0302,0.63236);(68.0143,0.13801);(79.0177,2.690111);(80.0255,0.215959);(92.0254,0.294887);(94.0411,8.800914);(107.0124,0.432999);(109.0283,0.344145);(120.0205,0.458354);(121.0283,0.812558);(122.0361,55.800392);(123.0395,0.189751);(124.0153,0.179191);(135.0076,5.377469);(135.0314,2.773005);(136.0391,1.863949);(140.0466,1.706159);(164.0342,100.0);(165.0309,0.11739);(179.0576,68.705032) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (65.0146,0.202384);(65.9986,8.464648);(66.0099,1.21992);(67.0176,0.235606);(67.0302,2.770514);(68.0142,0.333317);(69.0095,0.671196);(79.0177,14.28708);(80.0254,0.467456);(85.0409,0.1694);(92.0255,1.742953);(94.0411,29.433968);(95.0251,0.245294);(107.0125,2.737917);(109.0282,1.041905);(120.0204,1.488642);(121.0283,1.914254);(122.0361,74.409105);(123.0075,0.59462);(123.0396,0.28502);(124.0152,0.670266);(135.0076,21.722937);(135.0314,14.508146);(136.0391,4.572213);(140.0466,0.977728);(164.0342,100.0);(165.0309,0.131443);(179.0576,22.329163) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (55.0301,0.906706);(65.0145,1.207564);(65.9986,48.471802);(66.0098,6.07616);(67.0176,0.599958);(67.0302,10.997872);(68.0143,0.889557);(69.0095,5.796138);(79.0177,61.156874);(80.0255,1.089012);(82.0173,0.149124);(85.0408,0.194035);(92.0255,9.143125);(94.0411,73.248973);(95.025,1.108479);(107.0126,12.033634);(108.0204,0.165112);(109.0282,3.182615);(112.0515,0.106158);(120.0204,5.199926);(121.0282,3.486289);(122.0361,100.0);(123.0075,3.071847);(123.0395,0.187505);(124.0152,1.575639);(135.0076,57.973227);(135.0314,46.76403);(136.0391,7.564881);(140.0466,0.596692);(163.0264,0.124051);(164.0342,98.15043);(179.0576,8.756051) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (50.0035,0.120863);(55.0302,4.948131);(64.0068,0.798077);(65.0146,5.268199);(65.9986,100.0);(66.0098,5.661783);(67.0302,14.327827);(68.0142,0.658112);(69.0095,13.321546);(79.0177,69.464356);(80.0255,0.378513);(81.0333,0.505623);(92.0255,20.344041);(94.0411,38.696679);(95.0251,0.849107);(107.0126,11.082583);(108.0204,3.279664);(109.0281,1.503249);(120.0204,3.212442);(121.0283,0.83094);(122.0361,16.419999);(123.0076,2.710454);(124.0154,0.37329);(126.0308,0.474802);(135.0076,16.975392);(135.0314,34.444909);(136.0391,1.21167);(164.0342,7.898707) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (50.0036,1.110281);(55.0302,10.768492);(64.0067,1.943304);(65.0146,11.665982);(65.9986,100.0);(67.0302,11.431645);(68.0142,0.265857);(69.0095,6.870907);(79.0177,31.489242);(81.0333,0.239902);(92.0255,17.763343);(93.0094,0.48132);(94.0411,10.201079);(95.0252,0.250698);(107.0126,2.532193);(108.0204,3.825221);(109.0283,0.135519);(120.0206,0.948043);(122.0361,1.379065);(123.0076,0.999755);(126.0311,1.096903);(135.0076,1.698128);(135.0314,10.948977);(164.0342,0.206276) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (50.0036,2.721942);(55.0302,15.853686);(64.0068,5.65088);(65.0146,23.119315);(65.9986,100.0);(67.0302,11.251589);(68.0143,0.240573);(69.0095,2.085655);(79.0177,10.903135);(80.0255,0.201249);(82.0173,0.321086);(92.0255,11.525698);(93.0096,0.823552);(94.0411,3.022081);(107.0126,0.374744);(108.0204,3.006113);(120.0203,0.266868);(126.0311,0.793419);(135.0313,2.873362) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.2,0.004224);(89.1,0.009152);(93.6,0.00352);(96.9,0.10771);(119.0,0.006336);(122.2,0.040127);(135.3,0.030975);(142.7,0.002112);(164.1,0.258363);(178.2,0.030271);(179.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (58.8,0.015047);(78.9,0.021992);(93.9,0.136582);(97.3,0.146999);(106.6,0.006945);(108.7,0.020835);(119.9,0.003472);(122.1,5.008392);(134.8,0.633138);(135.8,0.046299);(140.1,0.026622);(162.5,0.01389);(164.1,14.745066);(176.8,0.005787);(179.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (65.6,0.143281);(66.1,0.779312);(66.9,0.510222);(68.1,0.125808);(79.1,4.798183);(84.9,0.013979);(91.2,0.045431);(91.9,0.625546);(92.8,0.062904);(94.2,14.684606);(94.8,0.087367);(97.1,0.202691);(107.3,2.959986);(109.3,2.114276);(117.1,0.024463);(120.0,0.831732);(122.1,74.667133);(134.4,0.468286);(135.1,19.493273);(136.1,3.854622);(140.4,0.097851);(161.8,0.024463);(164.1,100.0);(177.0,0.038441);(178.1,0.090861);(179.2,44.574524) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (38.2,0.158949);(40.3,0.052983);(41.9,0.317898);(51.6,0.169545);(55.4,0.741761);(64.7,0.095369);(65.9,28.960475);(67.1,6.453322);(68.1,0.646392);(79.0,64.798135);(79.9,0.180142);(84.9,0.052983);(89.0,0.095369);(91.1,0.296704);(92.3,9.0071);(93.0,0.582812);(94.1,69.185122);(95.1,0.794744);(97.1,0.40267);(106.4,0.381477);(107.0,56.130126);(108.0,0.423864);(109.0,8.297128);(117.0,0.06358);(119.9,5.308891);(121.0,4.334004);(122.1,87.549009);(134.1,0.635795);(135.0,100.0);(136.0,9.166049);(162.1,0.084773);(163.3,0.519233);(164.0,61.873477);(177.3,0.03179);(179.0,5.255908) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (26.1,0.110865);(38.0,1.662971);(39.9,0.461936);(42.0,1.773836);(51.9,0.720621);(54.9,4.397635);(63.8,0.258684);(65.2,2.605322);(66.1,76.459719);(67.0,10.606061);(68.3,0.628234);(69.1,0.110865);(79.0,100.0);(80.3,0.572801);(81.5,0.406504);(89.2,0.110865);(89.4,0.036955);(91.1,0.258684);(92.2,19.881744);(94.2,41.555802);(95.1,0.849963);(97.2,0.314117);(105.8,0.129342);(107.0,55.081301);(108.0,2.623799);(109.0,4.157428);(119.9,3.547672);(120.9,0.757576);(122.1,17.923134);(134.1,0.572801);(134.9,51.127125);(136.3,2.069475);(163.9,6.189948);(178.9,0.203252) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (34.9,0.009878);(59.1,0.083959);(97.0,0.069143);(115.2,0.059265);(122.4,0.044449);(135.1,0.034571);(144.9,0.024694);(163.8,0.271632);(179.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (58.8,0.125414);(74.6,0.026874);(79.2,0.035833);(93.6,0.125414);(94.3,0.035833);(96.8,0.19708);(108.3,0.143331);(120.0,0.071665);(121.9,5.303234);(134.9,0.429992);(136.0,0.116456);(137.0,0.376243);(139.8,0.071665);(146.7,0.125414);(151.1,0.089582);(164.2,15.327421);(177.5,0.062707);(178.1,0.053749);(179.2,100.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (45.3,0.057971);(58.8,0.26087);(66.0,0.869565);(67.0,0.637681);(79.1,5.014493);(92.4,0.927536);(92.7,0.144928);(94.1,14.202899);(94.8,0.26087);(97.0,0.405797);(107.2,3.217391);(107.9,0.753623);(109.2,1.768116);(119.1,0.26087);(120.3,0.782609);(121.0,1.101449);(121.9,74.231884);(134.4,0.492754);(134.9,18.666667);(136.2,4.144928);(137.0,0.26087);(146.9,0.115942);(151.3,0.202899);(164.2,100.0);(179.1,46.550725) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (42.0,0.574163);(51.7,0.287081);(66.2,28.995215);(66.9,6.315789);(67.8,0.861244);(79.3,65.933014);(92.2,11.674641);(94.2,72.822967);(96.7,1.148325);(106.9,63.157895);(109.2,10.239234);(120.0,4.784689);(121.0,2.966507);(122.2,85.837321);(135.0,100.0);(136.1,9.856459);(163.9,62.488038);(179.1,5.167464) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (42.1,1.779935);(54.9,4.692557);(64.1,0.647249);(66.0,78.478964);(67.0,11.488673);(79.0,100.0);(92.0,19.7411);(93.6,4.368932);(93.9,32.36246);(94.8,0.647249);(107.1,60.679612);(108.1,4.530744);(109.3,4.530744);(120.3,4.045307);(121.9,14.07767);(134.9,47.89644);(164.3,7.443366);(179.1,0.809061) | | LC-MS/MS | LC-ESI-IT | negative | Not Available | View Spectrum | (94.3,0.2);(122.1,8.1);(123.1,2.0);(130.2,0.1);(140.2,0.1);(158.2,0.2);(161.1,0.2);(164.1,100.0);(165.1,9.7);(179.1,95.6);(180.1,13.8) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (121.995122,9.424871);(164.024076,100.0);(179.053286,19.170145) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (122.003059,9.854844);(164.042397,100.0);(179.072004,24.276549) | | LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (55.0289,0.046382);(65.997261,0.095808);(71.366402,0.038266);(79.016281,0.062303);(94.039619,0.088764);(122.034714,3.671152);(123.038055,0.075272);(133.724579,0.038524);(140.045242,0.828446);(164.033051,11.166872);(165.037064,0.36945);(179.056717,100.0);(180.060608,4.427977);(199.196274,0.039118) | | LC-MS/MS | LC-ESI-QFT | negative | Not Available | View Spectrum | (164.034,24.859688);(179.0575,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (69.0448,1.226202);(124.0501,71.652146);(125.0543,3.872217);(137.0815,3.178445);(142.0611,8.599548);(181.0723,100.0) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (96.0556,0.157521);(124.0507,5.447391);(137.0824,0.157122);(181.0721,100.0) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (69.0444,0.112462);(96.0557,0.228262);(124.0507,8.894839);(137.0823,0.242201);(142.0613,0.108244);(181.0721,100.0) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (69.0447,1.681444);(83.024,0.110745);(96.0557,6.058136);(97.0397,0.258958);(108.0556,0.258865);(109.0271,0.110502);(110.0714,0.361967);(120.0557,0.288879);(124.0506,80.564521);(137.0823,1.329009);(142.0613,1.706367);(149.0461,0.140599);(181.0721,100.0) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (68.0369,0.120498);(69.0448,9.246402);(81.0448,0.151391);(83.024,1.019051);(93.0449,0.228114);(94.0401,0.22257);(95.0241,0.223311);(96.0557,22.391217);(97.0397,1.027528);(108.0556,0.533588);(109.0271,0.38805);(110.0714,0.381374);(120.0559,0.389823);(122.0349,0.133995);(122.0589,0.155622);(124.0507,100.0);(137.0823,1.019909);(140.0454,0.138503);(142.0613,2.711602);(149.0459,0.292428);(166.0486,0.106984);(167.0565,0.11437);(181.0721,27.934505) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (55.0291,0.319427);(67.0291,0.392115);(68.0369,0.476121);(69.0447,35.24428);(79.029,0.106065);(80.0131,0.143189);(81.0448,0.804307);(83.024,3.472138);(93.0448,0.518816);(94.0401,0.983366);(95.0241,0.677283);(96.0557,48.37773);(97.0397,2.586274);(106.0402,0.137056);(108.0557,0.693368);(109.0272,2.184794);(110.0714,0.479635);(113.0347,0.156126);(120.0557,0.388568);(121.0511,0.159925);(122.035,0.409335);(122.0589,0.395616);(124.0507,100.0);(137.0823,0.538509);(140.0454,0.420713);(142.0613,3.353649);(149.0461,0.250825);(167.0567,0.115856);(181.0721,7.956694) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (52.0183,0.167615);(54.0213,0.665603);(54.0339,0.699266);(55.0291,1.139665);(56.0496,0.143437);(57.0448,0.275009);(67.0291,1.666923);(68.037,1.827003);(69.0448,100.0);(70.0287,0.467988);(79.0291,0.366429);(80.0131,0.694463);(81.0448,2.12534);(82.0164,0.103541);(83.024,7.921762);(93.0449,0.753206);(94.0401,3.677029);(95.0241,2.306579);(95.0478,0.283272);(96.0557,77.470363);(97.0398,3.843068);(106.04,0.440897);(108.0556,0.8634);(109.0272,10.323773);(110.0712,0.422257);(113.0347,0.373072);(120.0557,0.412241);(121.0509,0.578175);(122.035,1.499136);(122.0588,0.593417);(124.0507,88.296847);(137.0823,0.2893);(140.0456,1.108257);(142.0613,2.933567);(149.0458,0.394648);(181.0721,2.036286) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (52.0182,0.373397);(53.0135,0.473227);(54.0213,6.947578);(54.0339,1.635108);(55.0291,3.416775);(56.0369,0.118729);(56.0495,0.470753);(57.0448,0.949758);(58.0288,0.369235);(66.0213,0.496741);(67.0291,6.572321);(68.0131,0.650713);(68.037,4.454034);(69.0448,100.0);(70.0288,0.366241);(79.0291,0.800586);(80.0131,0.607108);(81.0322,0.166475);(81.0448,3.182214);(82.0162,2.097324);(83.0241,3.327108);(93.0448,0.551285);(94.0401,4.691944);(95.0241,2.129772);(96.0557,19.552716);(97.0397,1.365929);(106.0401,0.42136);(108.0556,0.227731);(109.0272,18.923648);(113.0347,0.21302);(121.0511,0.996721);(122.0351,0.641451);(122.0591,0.123224);(124.0507,8.425273);(140.0455,0.481384);(142.0613,0.214563) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (52.0183,2.325019);(53.0135,0.562278);(54.0213,30.589234);(54.0339,3.993968);(55.0291,9.046941);(57.0448,5.283623);(58.0288,0.576203);(65.0135,0.254556);(66.0213,3.616781);(67.0291,18.700013);(68.0131,1.740928);(68.037,9.277021);(69.0448,100.0);(70.0289,0.369187);(79.0291,1.018918);(80.0132,0.973206);(81.0084,0.614367);(81.0322,0.351572);(81.0448,3.146983);(82.0163,5.735878);(83.0242,0.487611);(93.0449,0.270514);(94.0401,7.07989);(95.0241,1.749601);(96.0557,4.939583);(97.0398,0.313567);(109.0272,20.511059);(121.0509,1.827365);(124.0509,1.614455) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (52.0183,11.923998);(53.0134,3.249986);(54.0213,96.612759);(54.0339,5.993626);(55.0291,26.531661);(56.0369,1.418473);(57.0448,13.634384);(65.0135,1.698375);(66.0213,12.110021);(67.0291,38.739835);(68.0132,6.762865);(68.0369,17.134744);(69.0448,100.0);(80.0132,1.139657);(81.0084,7.488568);(81.0448,1.921247);(82.0162,6.890893);(94.0401,8.804475);(95.0242,1.862934);(109.0272,11.894244);(121.0509,1.177172) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (54.9,0.455927);(59.1,0.810537);(63.0,6.838906);(72.9,3.292806);(77.2,4.660588);(80.7,1.570415);(83.3,0.506586);(91.0,2.380952);(98.7,0.607903);(99.8,0.35461);(101.3,0.303951);(102.1,0.658561);(104.6,0.405268);(107.3,1.06383);(108.1,0.911854);(108.7,0.253293);(112.9,0.506586);(114.0,0.303951);(116.7,0.405268);(117.5,0.151976);(120.1,3.039514);(121.0,20.618034);(123.1,1.367781);(131.0,0.810537);(145.0,0.557244);(147.2,0.405268);(149.2,2.735562);(163.1,2.583587);(164.2,22.18845);(181.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.1,0.716332);(41.3,0.859599);(55.2,2.292264);(58.4,1.002865);(59.3,0.716332);(61.9,1.002865);(62.8,18.911175);(73.2,2.148997);(73.8,1.432665);(76.9,18.338109);(80.8,4.87106);(84.0,0.859599);(84.5,1.862464);(89.1,6.303725);(90.2,4.727794);(95.9,3.151862);(99.3,0.859599);(101.1,2.722063);(101.9,5.730659);(107.1,3.581662);(108.0,2.43553);(109.9,1.002865);(113.8,0.286533);(118.7,0.286533);(120.3,1.719198);(120.5,0.429799);(121.1,0.716332);(124.2,38.681948);(149.1,0.716332);(163.2,0.859599);(164.1,4.87106);(181.1,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (40.7,1.707317);(44.9,4.634146);(45.3,2.195122);(56.0,1.463415);(58.1,1.95122);(62.8,9.512195);(69.2,11.219512);(73.3,2.439024);(76.9,12.439024);(80.4,1.219512);(81.2,2.926829);(83.0,2.682927);(84.9,2.439024);(96.2,38.292683);(107.6,1.463415);(109.0,1.463415);(110.3,0.97561);(113.7,0.731707);(123.2,0.97561);(124.1,100.0);(181.1,11.95122) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (44.9,10.92437);(69.2,100.0);(83.3,6.722689);(96.0,40.336134);(96.3,31.932773);(105.9,5.042017);(109.1,5.882353);(120.6,4.201681);(123.9,48.739496) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (69.3,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (58.9,2.209945);(62.9,11.418048);(69.0,9.576427);(72.0,0.92081);(73.0,4.972376);(77.0,5.709024);(80.9,1.473297);(84.7,1.104972);(89.8,2.209945);(90.8,6.077348);(95.8,12.52302);(99.2,3.314917);(99.9,2.209945);(102.0,1.473297);(104.2,0.552486);(104.8,1.841621);(107.3,1.104972);(112.9,6.26151);(116.9,2.209945);(117.5,0.552486);(120.9,45.303867);(122.4,0.736648);(131.1,17.495396);(131.9,48.802947);(135.9,1.841621);(145.2,0.92081);(146.1,16.94291);(148.5,0.92081);(149.3,14.548803);(163.4,7.18232);(164.3,100.0);(181.2,76.611418) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.9,6.122449);(40.8,5.102041);(44.9,9.183673);(55.4,5.102041);(58.4,6.122449);(59.5,3.061224);(63.0,45.918367);(69.3,39.795918);(70.9,28.571429);(71.9,59.183673);(72.9,9.183673);(77.1,52.040816);(80.8,5.102041);(84.9,5.102041);(87.2,6.122449);(89.0,18.367347);(89.3,13.265306);(90.1,25.510204);(95.0,8.163265);(96.1,63.265306);(99.0,72.44898);(99.8,100.0);(100.5,6.122449);(101.7,24.489796);(107.3,27.55102);(108.2,12.244898);(114.0,19.387755);(118.7,13.265306);(121.3,6.122449);(123.9,13.265306);(131.0,14.285714);(132.2,21.428571);(136.4,38.77551);(139.1,6.122449);(145.9,9.183673);(164.5,27.55102);(181.4,77.55102) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.7,9.876543);(44.9,32.098765);(46.2,3.703704);(57.0,18.518519);(69.3,55.555556);(71.2,87.654321);(72.0,100.0);(73.6,6.17284);(76.6,12.345679);(81.1,24.691358);(84.6,8.641975);(86.1,13.580247);(88.9,6.17284);(89.9,6.17284);(91.3,11.111111);(95.9,59.259259);(99.1,39.506173);(99.4,13.580247);(100.3,4.938272);(117.5,14.814815);(122.3,7.407407);(123.9,30.864198);(164.6,4.938272) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (44.3,13.513514);(44.9,21.621622);(54.8,10.810811);(56.6,10.810811);(58.1,21.621622);(69.1,59.459459);(71.0,72.972973);(72.1,100.0);(80.8,40.540541);(91.0,37.837838);(92.0,8.108108);(95.8,40.540541);(99.0,13.513514);(118.1,13.513514) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (44.1,40.0);(56.4,20.0);(68.9,100.0);(71.3,66.666667);(72.3,46.666667);(81.1,60.0);(95.7,33.333333);(108.8,20.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (124.0507,2.86847);(181.072,100.0);(182.0752,3.15343) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (69.0442,5.64141);(96.0559,16.90923);(97.0436,1.2877);(124.0506,100.0);(125.0539,2.66504);(137.0822,1.16842);(142.0616,2.66542);(181.0725,41.93548);(182.0739,1.52251) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (67.0284,2.24755);(68.0354,1.8217);(69.0446,100.0);(70.0465,2.14858);(80.0133,1.0918);(81.045,2.56938);(83.025,9.08994);(94.0408,3.68533);(95.0244,3.3749);(96.0561,86.60122);(97.0444,5.87424);(108.0544,1.1653);(109.0274,18.32316);(122.0371,1.67525);(124.0511,95.64871);(125.0549,2.73017);(140.0448,1.078);(142.0622,3.96922);(181.0722,2.93447) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (54.0221,7.96996);(55.0297,2.03314);(66.022,1.38426);(67.0279,8.85034);(68.036,4.88555);(69.0445,100.0);(70.0456,2.36199);(72.0315,1.39306);(80.0136,1.3884);(81.0434,5.08338);(82.0164,5.74832);(83.0259,3.3651);(94.0409,5.78457);(95.0254,3.9363);(96.0569,17.0637);(97.0463,1.71724);(109.028,32.04039);(110.0299,1.03625);(121.0532,1.57535);(122.0372,1.11911);(124.052,7.46763) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (52.022,1.01943);(53.0106,1.94487);(54.0211,23.65655);(55.0273,3.7676);(56.0408,1.22863);(57.0457,2.14753);(65.0151,1.1515);(66.0222,3.37101);(67.0296,28.95102);(68.0087,1.35653);(68.0349,11.54075);(69.0448,100.0);(70.0481,3.43248);(72.0326,2.19314);(79.0309,2.09994);(81.0099,8.63573);(81.0422,4.73131);(82.0178,17.16835);(83.0247,2.5699);(93.0419,1.22725);(94.0393,8.39183);(95.0245,3.68828);(96.0556,5.0585);(109.0281,38.21138);(110.0317,1.75947);(121.0535,3.13702);(122.0394,1.27226);(124.0504,1.76661) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (95.921584,2.508199);(109.994536,1.141756);(119.960564,1.614806);(120.980169,1.409261);(122.960914,0.603048);(123.953932,100.0);(124.981109,2.583032);(134.972637,0.948855);(137.01123,10.254121);(138.9578,1.655494);(148.942651,5.32279);(150.881813,2.227168);(153.004985,2.092822);(162.864892,22.824136);(164.536025,1.029556);(166.019205,0.65809);(166.500003,0.811389);(167.017276,1.798323);(167.500004,0.626485);(173.064987,0.652468);(173.507148,0.778538);(174.036312,2.105878);(180.967295,2.069454) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (95.90469,2.618306);(109.927335,1.093562);(119.935374,1.407161);(123.941236,100.0);(124.930773,0.590305);(134.974023,0.629591);(136.988804,10.578732);(148.956355,2.547017);(150.92035,1.41008);(152.998862,0.761121);(153.974647,0.571213);(162.905357,8.870086);(180.996271,0.851247) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (121.014549,0.755315);(133.930688,1.448464);(135.002566,0.571465);(135.931162,16.231458);(136.943305,0.717489);(161.0356,0.969817);(161.933278,100.0);(162.956051,6.088342);(175.018324,1.048485);(179.894842,1.446009);(186.936908,1.324756);(188.962632,1.184328);(190.992474,0.87204);(200.879903,7.043915);(203.147665,41.505972);(213.043474,0.504785);(218.973406,2.089632) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (121.011628,0.996681);(133.024956,0.551127);(133.919829,1.698528);(135.005816,0.659244);(135.930465,15.986738);(136.942437,0.766732);(161.028011,1.062448);(161.934384,100.0);(162.958316,6.128895);(175.021489,1.402819);(179.899301,1.443755);(186.96495,2.166434);(188.951994,1.514102);(190.981483,1.457269);(200.898822,7.735949);(203.143961,48.401756);(218.989936,2.279515) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (49.460232,2.243088);(60.991642,2.034429);(69.885178,2.660407);(78.420227,1.877934);(80.09465,2.086594);(90.380104,2.295253);(92.634285,1.825769);(96.053963,6.311946);(97.969872,3.442879);(101.005211,2.034429);(105.93586,1.825769);(105.954292,3.12989);(120.986084,1.930099);(122.05677,4.068858);(124.051689,13.875848);(125.053612,4.642671);(134.958267,2.869066);(137.350296,2.921231);(138.509674,1.930099);(140.951736,1.825769);(141.955887,5.790297);(156.961029,1.930099);(159.934784,2.138758);(159.968033,3.495044);(163.93132,2.086594);(166.078857,1.982264);(176.282867,2.086594);(179.98848,1.825769);(180.969757,2.243088);(181.072296,100.0);(181.097748,17.788211);(181.131973,1.51278);(181.607559,1.930099);(181.967148,1.982264);(182.072083,13.667188);(183.093811,2.399583);(1044.236206,2.086594);(1975.0625,2.347418);(1982.393066,2.347418) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (50.983669,12.374582);(66.471848,13.043478);(95.04406,10.367893);(97.059135,12.040134);(98.958687,13.377926);(109.026817,27.090301);(110.023148,10.702341);(110.581291,14.381271);(123.868164,20.735786);(124.049065,100.0);(125.062836,15.384615);(126.350487,12.374582);(126.984444,14.381271);(167.068604,17.056856);(181.072769,13.712375);(185.924973,5.685619);(982.347412,13.377926);(1138.143555,15.384615);(1236.920044,17.391304);(1241.937256,15.050167);(1281.443237,11.371237);(1408.560791,12.374582);(1482.574097,13.377926) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (52.210438,0.028545);(58.065941,0.028989);(69.045303,0.26374);(73.127235,0.073944);(82.25425,0.02827);(85.076363,0.027181);(87.390968,0.026153);(90.823242,0.034423);(96.055962,0.644573);(97.076363,0.031713);(98.961632,0.042377);(98.975624,0.152116);(107.238922,0.032035);(109.027283,0.060748);(109.110329,0.026988);(110.07151,0.065489);(111.055328,0.037944);(111.091827,0.127388);(113.070969,0.039256);(116.971947,0.690708);(116.985832,0.259567);(120.055466,0.048304);(121.100929,0.035133);(123.080238,0.031888);(124.050575,18.629433);(125.053818,0.045443);(125.071121,0.041009);(134.996231,0.406716);(135.116547,0.038664);(137.081955,0.693097);(138.10231,0.054471);(139.98764,0.390025);(140.001343,0.057107);(142.060898,1.302633);(146.992889,0.029064);(158.0121,0.151313);(166.985382,0.042069);(167.055603,0.040774);(180.988998,0.050607);(181.071793,100.0);(181.133011,0.524232);(181.144424,0.822293);(181.151505,0.110187);(181.169479,0.282486);(182.00885,0.283175);(182.06839,0.110185);(182.075195,0.786036);(182.173035,0.033623);(199.081543,0.038823) | | LC-MS/MS | LC-ESI-QFT | positive | Not Available | View Spectrum | (69.0448,1.894736);(83.0239,0.206058);(93.0698,0.144244);(96.0556,4.311592);(97.0397,0.13608);(108.0556,0.121582);(110.0714,0.209186);(124.0505,37.788258);(137.0821,0.731243);(142.061,1.874803);(181.0719,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.99696,1.64);(94.04055,9.52);(107.0108,6.01);(109.02522,1.67);(122.03892,46.98);(135.01042,15.4);(136.03976,3.93);(164.03636,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.0364,3.1);(96.05701,2.6);(108.05848,1.1);(124.05324,20.9);(137.08232,1.8);(181.07305,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (122.0361,14.1);(140.0467,1.03);(164.0342,37.79);(179.0575,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (69.0448,1.23);(124.0501,71.65);(125.0543,3.87);(137.0815,3.18);(142.0611,8.6);(181.0723,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (124.0507,5.45);(181.0721,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (164.0341,3.09);(179.0575,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.03913,8.4);(42.0364,96.4);(53.02786,3.5);(54.10875,1.3);(55.03028,11.7);(57.04616,2.5);(67.0365,4.8);(68.03907,13.7);(69.04754,100.0);(70.04515,3.1);(80.02975,4.3);(81.04799,9.8);(82.03258,3.2);(93.04945,5.3);(94.04319,6.6);(96.05827,25.6);(109.02879,13.8);(121.05074,9.1);(122.03601,2.5);(124.05007,15.6) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (106.9514,1.33);(112.9882,4.03);(122.0357,4.93);(134.0421,1.38);(134.9887,45.87);(136.9151,13.48);(138.901,1.79);(146.8648,1.04);(164.0339,15.53);(179.0578,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.02204,1.3);(42.03054,100.0);(54.01795,6.0);(55.02608,1.1);(56.00989,1.3);(57.04116,1.9);(67.0262,9.3);(68.03407,2.6);(69.04187,79.7);(70.0258,1.5);(79.02578,1.8);(81.04202,5.5);(93.02966,2.4);(94.03844,5.6);(95.0222,1.4);(96.05363,14.8);(97.03521,2.0);(106.03764,2.2);(109.02535,11.8);(122.03185,1.7);(124.04867,10.4) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (28.01872406,0.0067592671);(30.03437413,0.0258455439);(43.0296231,0.0003624487);(44.05002419,0.0000006244);(55.01838972,0.0000008691);(55.0296231,0.0000083748);(58.02928875,0.0047118682);(60.04493881,0.0003144468);(68.01363868,0.0001862924);(70.02928875,0.000004741);(82.02928875,0.0003050093);(82.04052213,0.000003051);(85.04018778,0.0010584585);(87.05583784,0.0030877721);(95.02453772,0.3074704244);(97.04018778,0.0291246141);(122.0354367,0.0734179133);(124.0510868,3.886644069);(136.0147013,0.0002001503);(138.0303514,0.0010494475);(151.0619858,0.0870945317);(152.0460014,0.1403327279);(154.0616515,0.0393875143);(165.0412504,0.268542885);(181.0725505,95.12408695) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (28.01872406,0.0301263606);(30.03437413,0.8755609843);(43.0296231,0.247854498);(44.05002419,0.0009928572);(55.01838972,0.000033413);(55.0296231,0.0006378976);(58.02928875,0.297135515);(60.04493881,0.0010685472);(68.01363868,0.0248444165);(70.02928875,0.0025443346);(82.02928875,0.4017677051);(82.04052213,0.0031196176);(85.04018778,0.0511190723);(87.05583784,0.5354261447);(95.02453772,1.177077875);(97.04018778,1.160478844);(122.0354367,3.876703064);(124.0510868,36.69677565);(136.0147013,0.0104377268);(138.0303514,0.0057634211);(151.0619858,0.0492910172);(152.0460014,0.1961151399);(154.0616515,0.317890724);(165.0412504,0.5363648323);(181.0725505,53.50087034) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (28.01872406,0.8556979766);(30.03437413,5.104564776);(43.0296231,2.167265134);(44.05002419,1.417629019);(55.01838972,0.3118791018);(55.0296231,5.726782651);(58.02928875,4.089141868);(60.04493881,0.3155400941);(68.01363868,2.369147554);(70.02928875,0.7481164023);(82.02928875,3.253355864);(82.04052213,2.063089922);(85.04018778,0.3474870607);(87.05583784,0.5953637295);(95.02453772,23.69504139);(97.04018778,8.297170226);(122.0354367,8.35357888);(124.0510868,23.98354203);(136.0147013,0.2733214119);(138.0303514,0.4114724737);(151.0619858,0.5500686756);(152.0460014,0.2670617617);(154.0616515,1.046067932);(165.0412504,2.225795119);(181.0725505,1.531818955) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (28.01872406,0.1288902707);(29.00273965,0.0291259462);(41.01397303,0.0012051985);(41.99798862,0.0160958979);(53.01397303,0.0004019428);(56.01363868,2.909921085);(58.02928875,0.4130660142);(65.99798862,0.0001021443);(68.01363868,0.0000088619);(80.01363868,0.0007702039);(80.02487206,0.0000793452);(83.02453772,0.0969560281);(85.04018778,0.232186566);(93.00888765,0.2615907396);(95.02453772,0.0691771832);(120.0197867,0.1420535473);(122.0354367,5.345184451);(133.9990512,0.0001026602);(136.0147013,0.0209981204);(149.0463358,0.3276781293);(150.0303514,0.0176004709);(152.0460014,0.2728074396);(163.0256003,0.2367972828);(179.0569005,89.47720047) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (28.01872406,0.0460209985);(29.00273965,0.0618019421);(41.01397303,0.0461302379);(41.99798862,0.0491575746);(53.01397303,0.0978282631);(56.01363868,3.139409093);(58.02928875,0.3774421923);(65.99798862,0.0447377793);(68.01363868,0.009373606);(80.01363868,0.0061641132);(80.02487206,0.8246034957);(83.02453772,0.4233719664);(85.04018778,1.09822332);(93.00888765,4.114487864);(95.02453772,2.29262635);(120.0197867,1.269845998);(122.0354367,16.83553276);(133.9990512,0.0085180166);(136.0147013,0.1424001814);(149.0463358,0.5423376133);(150.0303514,0.6937603901);(152.0460014,2.039181686);(163.0256003,1.438406226);(179.0569005,64.39863833) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (28.01872406,1.789336094);(29.00273965,1.023803835);(41.01397303,2.706009939);(41.99798862,0.9541994663);(53.01397303,4.347148477);(56.01363868,5.405291754);(58.02928875,0.9911410793);(65.99798862,23.52746284);(68.01363868,1.369146223);(80.01363868,0.322353536);(80.02487206,4.168757298);(83.02453772,0.055463629);(85.04018778,0.6836689179);(93.00888765,13.40031052);(95.02453772,4.650368339);(120.0197867,2.510415062);(122.0354367,6.869532469);(133.9990512,6.290462914);(136.0147013,3.939251759);(149.0463358,2.58772255);(150.0303514,0.4178472168);(152.0460014,0.4528880397);(163.0256003,10.64456865);(179.0569005,0.8928493829) |
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