| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (82.0,0.003003003);(83.0,0.011011011);(84.0,0.004004004);(85.0,0.01001001);(87.0,0.004004004);(88.0,0.001001001);(89.0,0.041041041);(90.0,0.015015015);(91.0,0.0680680681);(92.0,0.032032032);(93.0,0.015015015);(94.0,0.002002002);(95.0,0.014014014);(96.0,0.006006006);(97.0,0.006006006);(98.0,0.002002002);(99.0,0.002002002);(101.0,0.002002002);(102.0,0.003003003);(103.0,0.026026026);(104.0,0.034034034);(105.0,0.038038038);(106.0,0.004004004);(107.0,0.015015015);(108.0,0.002002002);(109.0,0.008008008);(110.0,0.001001001);(111.0,0.01001001);(115.0,0.011011011);(116.0,0.001001001);(117.0,0.01001001);(118.0,0.012012012);(119.0,0.021021021);(120.0,0.012012012);(121.0,0.024024024);(122.0,0.017017017);(123.0,0.009009009);(125.0,0.001001001);(126.0,0.0530530531);(129.0,0.001001001);(131.0,0.011011011);(132.0,0.001001001);(133.0,0.036036036);(134.0,0.007007007);(135.0,0.0600600601);(136.0,0.006006006);(137.0,0.006006006);(143.0,0.001001001);(145.0,0.003003003);(147.0,0.027027027);(148.0,0.005005005);(149.0,0.034034034);(150.0,0.008008008);(151.0,0.0620620621);(152.0,0.001001001);(153.0,0.001001001);(157.0,0.001001001);(161.0,0.001001001);(163.0,0.007007007);(164.0,0.002002002);(165.0,0.007007007);(166.0,0.007007007);(167.0,0.001001001);(176.0,0.002002002);(177.0,0.006006006);(178.0,0.001001001);(179.0,0.044044044);(180.0,0.005005005);(181.0,0.005005005);(191.0,0.01001001);(192.0,0.004004004);(193.0,0.3123123123);(194.0,0.042042042);(195.0,0.013013013);(196.0,0.001001001);(207.0,0.031031031);(208.0,0.006006006);(209.0,0.004004004);(221.0,0.008008008);(222.0,0.007007007);(223.0,0.7807807808);(224.0,0.1251251251);(225.0,0.038038038);(226.0,0.003003003);(237.0,0.003003003);(238.0,0.001001001);(239.0,0.001001001);(240.0,0.001001001);(241.0,0.001001001);(242.0,0.001001001);(243.0,0.001001001);(244.0,0.001001001);(245.0,0.001001001);(246.0,0.001001001);(247.0,0.001001001);(248.0,0.001001001);(249.0,0.001001001);(250.0,0.001001001);(251.0,0.002002002);(252.0,0.001001001);(253.0,0.001001001);(254.0,0.001001001);(265.0,0.003003003);(266.0,0.013013013);(267.0,1.0);(268.0,0.1801801802);(269.0,0.049049049);(270.0,0.003003003);(273.0,0.001001001);(282.0,0.037037037);(283.0,0.001001001) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.047047047);(86.0,0.005005005);(87.0,0.011011011);(88.0,0.006006006);(89.0,0.1421421421);(90.0,0.0610610611);(91.0,0.2182182182);(92.0,0.1081081081);(93.0,0.0510510511);(94.0,0.007007007);(95.0,0.04004004);(96.0,0.022022022);(97.0,0.018018018);(98.0,0.008008008);(99.0,0.011011011);(100.0,0.002002002);(101.0,0.005005005);(102.0,0.005005005);(103.0,0.0730730731);(104.0,0.0950950951);(105.0,0.0910910911);(106.0,0.015015015);(107.0,0.034034034);(108.0,0.006006006);(109.0,0.021021021);(110.0,0.004004004);(111.0,0.033033033);(112.0,0.007007007);(113.0,0.004004004);(115.0,0.021021021);(116.0,0.004004004);(117.0,0.023023023);(118.0,0.035035035);(119.0,0.0600600601);(120.0,0.036036036);(121.0,0.0700700701);(122.0,0.039039039);(123.0,0.022022022);(124.0,0.004004004);(125.0,0.007007007);(126.0,0.2792792793);(127.0,0.03003003);(128.0,0.001001001);(129.0,0.003003003);(130.0,0.001001001);(131.0,0.029029029);(132.0,0.007007007);(133.0,0.0930930931);(134.0,0.023023023);(135.0,0.1511511512);(136.0,0.024024024);(137.0,0.019019019);(138.0,0.003003003);(139.0,0.002002002);(141.0,0.002002002);(143.0,0.005005005);(144.0,0.001001001);(145.0,0.01001001);(146.0,0.003003003);(147.0,0.0840840841);(148.0,0.024024024);(149.0,0.1061061061);(150.0,0.034034034);(151.0,0.1161161161);(152.0,0.018018018);(153.0,0.007007007);(154.0,0.001001001);(155.0,0.001001001);(157.0,0.003003003);(158.0,0.001001001);(159.0,0.001001001);(161.0,0.005005005);(162.0,0.003003003);(163.0,0.024024024);(164.0,0.009009009);(165.0,0.021021021);(166.0,0.017017017);(167.0,0.007007007);(168.0,0.001001001);(175.0,0.002002002);(176.0,0.001001001);(177.0,0.018018018);(178.0,0.007007007);(179.0,0.1051051051);(180.0,0.02002002);(181.0,0.017017017);(182.0,0.003003003);(183.0,0.001001001);(189.0,0.001001001);(191.0,0.026026026);(192.0,0.012012012);(193.0,0.7257257257);(194.0,0.1421421421);(195.0,0.0630630631);(196.0,0.01001001);(197.0,0.003003003);(205.0,0.001001001);(206.0,0.002002002);(207.0,0.0750750751);(208.0,0.019019019);(209.0,0.015015015);(210.0,0.006006006);(211.0,0.001001001);(221.0,0.012012012);(222.0,0.009009009);(223.0,1.0);(224.0,0.2572572573);(225.0,0.1041041041);(226.0,0.019019019);(227.0,0.004004004);(228.0,0.001001001);(237.0,0.012012012);(238.0,0.004004004);(239.0,0.003003003);(240.0,0.001001001);(241.0,0.001001001);(242.0,0.001001001);(243.0,0.001001001);(244.0,0.001001001);(245.0,0.001001001);(246.0,0.002002002);(247.0,0.001001001);(248.0,0.002002002);(249.0,0.002002002);(250.0,0.001001001);(251.0,0.005005005);(252.0,0.003003003);(253.0,0.003003003);(254.0,0.002002002);(255.0,0.002002002);(256.0,0.001001001);(265.0,0.003003003);(266.0,0.007007007);(267.0,0.8928928929);(268.0,0.2342342342);(269.0,0.0930930931);(270.0,0.017017017);(271.0,0.003003003);(272.0,0.001001001);(273.0,0.002002002);(274.0,0.001001001);(275.0,0.001001001);(276.0,0.001001001);(277.0,0.001001001);(278.0,0.001001001);(281.0,0.025025025);(282.0,0.2132132132);(283.0,0.0580580581);(284.0,0.022022022);(285.0,0.004004004) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.016016016);(61.0,0.029029029);(62.0,0.012012012);(63.0,0.045045045);(64.0,0.035035035);(65.0,0.032032032);(66.0,0.015015015);(67.0,0.015015015);(69.0,0.006006006);(70.0,0.008008008);(71.0,0.012012012);(72.0,0.019019019);(73.0,1.0);(74.0,0.1081081081);(75.0,0.1121121121);(76.0,0.0540540541);(77.0,0.0670670671);(78.0,0.016016016);(79.0,0.038038038);(80.0,0.003003003);(81.0,0.01001001);(82.0,0.006006006);(83.0,0.02002002);(84.0,0.006006006);(85.0,0.02002002);(86.0,0.002002002);(87.0,0.008008008);(88.0,0.003003003);(89.0,0.0600600601);(90.0,0.027027027);(91.0,0.1101101101);(92.0,0.0530530531);(93.0,0.024024024);(94.0,0.003003003);(95.0,0.018018018);(96.0,0.008008008);(97.0,0.007007007);(98.0,0.002002002);(99.0,0.004004004);(101.0,0.002002002);(102.0,0.003003003);(103.0,0.032032032);(104.0,0.041041041);(105.0,0.045045045);(106.0,0.006006006);(107.0,0.018018018);(108.0,0.003003003);(109.0,0.009009009);(110.0,0.001001001);(111.0,0.01001001);(112.0,0.002002002);(113.0,0.001001001);(115.0,0.011011011);(116.0,0.002002002);(117.0,0.01001001);(118.0,0.012012012);(119.0,0.024024024);(120.0,0.015015015);(121.0,0.028028028);(122.0,0.02002002);(123.0,0.011011011);(124.0,0.002002002);(125.0,0.002002002);(126.0,0.0910910911);(127.0,0.01001001);(129.0,0.001001001);(131.0,0.011011011);(132.0,0.002002002);(133.0,0.038038038);(134.0,0.009009009);(135.0,0.0580580581);(136.0,0.009009009);(137.0,0.008008008);(138.0,0.001001001);(139.0,0.001001001);(143.0,0.001001001);(145.0,0.003003003);(146.0,0.001001001);(147.0,0.031031031);(148.0,0.009009009);(149.0,0.039039039);(150.0,0.013013013);(151.0,0.0550550551);(152.0,0.007007007);(153.0,0.002002002);(157.0,0.001001001);(161.0,0.002002002);(162.0,0.001001001);(163.0,0.008008008);(164.0,0.002002002);(165.0,0.008008008);(166.0,0.007007007);(167.0,0.002002002);(177.0,0.006006006);(178.0,0.002002002);(179.0,0.044044044);(180.0,0.007007007);(181.0,0.006006006);(182.0,0.001001001);(191.0,0.008008008);(192.0,0.003003003);(193.0,0.2542542543);(194.0,0.049049049);(195.0,0.02002002);(196.0,0.003003003);(207.0,0.025025025);(208.0,0.006006006);(209.0,0.005005005);(210.0,0.001001001);(221.0,0.004004004);(222.0,0.003003003);(223.0,0.3623623624);(224.0,0.0860860861);(225.0,0.035035035);(226.0,0.005005005);(227.0,0.001001001);(237.0,0.003003003);(238.0,0.001001001);(251.0,0.001001001);(252.0,0.001001001);(265.0,0.001001001);(266.0,0.003003003);(267.0,0.3113113113);(268.0,0.0780780781);(269.0,0.032032032);(270.0,0.005005005);(271.0,0.001001001);(281.0,0.008008008);(282.0,0.0690690691);(283.0,0.018018018);(284.0,0.007007007);(285.0,0.001001001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.016);(71.0,0.023);(76.0,0.108);(77.0,0.094);(78.0,0.024);(79.0,0.051);(80.0,0.008);(81.0,0.024);(82.0,0.017);(83.0,0.041);(84.0,0.016);(85.0,0.045);(86.0,0.006);(87.0,0.034);(88.0,0.009);(89.0,0.134);(90.0,0.06);(91.0,0.227);(92.0,0.106);(93.0,0.052);(94.0,0.011);(95.0,0.041);(96.0,0.021);(97.0,0.018);(98.0,0.007);(99.0,0.01);(100.0,0.003);(101.0,0.013);(102.0,0.006);(103.0,0.074);(104.0,0.087);(105.0,0.095);(106.0,0.016);(107.0,0.038);(108.0,0.009);(109.0,0.021);(110.0,0.008);(111.0,0.032);(112.0,0.007);(113.0,0.004);(115.0,0.022);(116.0,0.01);(117.0,0.025);(118.0,0.034);(119.0,0.056);(120.0,0.038);(121.0,0.07);(122.0,0.042);(123.0,0.025);(124.0,0.005);(125.0,0.008);(126.0,0.289);(127.0,0.031);(129.0,0.006);(130.0,0.003);(131.0,0.032);(132.0,0.007);(133.0,0.098);(134.0,0.021);(135.0,0.158);(136.0,0.024);(137.0,0.018);(138.0,0.004);(139.0,0.002);(141.0,0.002);(143.0,0.005);(144.0,0.003);(145.0,0.009);(146.0,0.003);(150.0,0.036);(151.0,0.127);(152.0,0.018);(153.0,0.007);(155.0,0.002);(157.0,0.005);(159.0,0.004);(161.0,0.006);(162.0,0.003);(163.0,0.023);(164.0,0.007);(165.0,0.022);(166.0,0.017);(167.0,0.006);(168.0,0.003);(175.0,0.003);(177.0,0.022);(178.0,0.006);(179.0,0.113);(180.0,0.018);(181.0,0.019);(182.0,0.005);(191.0,0.028);(192.0,0.012);(193.0,0.773);(194.0,0.159);(195.0,0.067);(196.0,0.01);(197.0,0.002);(205.0,0.004);(207.0,0.088);(208.0,0.021);(209.0,0.016);(210.0,0.006);(211.0,0.004);(220.0,0.004);(221.0,0.018);(222.0,0.009);(223.0,1.0);(224.0,0.281);(225.0,0.11);(226.0,0.016);(227.0,0.004);(237.0,0.013);(238.0,0.008);(239.0,0.002);(240.0,0.003);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(251.0,0.005);(252.0,0.003);(253.0,0.003);(256.0,0.003);(265.0,0.004);(266.0,0.011);(267.0,0.897);(268.0,0.274);(269.0,0.113);(270.0,0.018);(271.0,0.004);(274.0,0.002);(281.0,0.035);(282.0,0.247);(283.0,0.073);(284.0,0.028);(285.0,0.006) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (38.0,4.6);(39.0,18.8);(45.0,3.3);(50.0,2.9);(51.0,2.1);(53.0,5.1);(55.0,3.5);(61.0,0.19);(62.0,4.2);(63.0,10.2);(65.0,24.0);(66.0,0.34);(74.0,1.7);(75.0,1.1);(81.0,3.7);(92.0,0.32);(93.0,20.7);(94.0,1.7);(109.0,1.1);(110.0,0.18);(121.0,99.99);(122.0,7.5);(138.0,70.0);(139.0,7.0) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (27.0,5.3);(29.0,13.3);(39.0,12.69);(41.0,21.81);(42.0,6.02);(43.0,10.08);(53.0,1.66);(55.0,23.31);(56.0,15.08);(57.0,16.26);(63.0,0.9);(64.0,1.35);(65.0,16.82);(69.0,7.96);(70.0,74.66);(71.0,11.02);(82.0,4.39);(83.0,23.22);(84.0,13.89);(92.0,1.7);(93.0,17.37);(94.0,1.1);(95.0,2.38);(97.0,0.98);(112.0,47.73);(113.0,4.65);(120.0,0.89);(121.0,99.99);(122.0,8.86);(123.0,0.42);(138.0,47.96);(139.0,25.66);(140.0,2.0);(151.0,0.35);(250.0,0.73) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (26.0,1.01);(27.0,2.29);(29.0,2.37);(37.0,2.85);(38.0,5.67);(39.0,18.0);(40.0,1.05);(45.0,4.7);(50.0,3.44);(51.0,3.29);(53.0,5.5);(54.0,3.59);(60.0,2.99);(62.0,5.74);(63.0,10.9);(64.0,4.5);(65.0,24.86);(66.0,3.61);(74.0,2.12);(75.0,1.15);(81.0,4.26);(92.0,3.46);(93.0,22.76);(94.0,1.8);(109.0,1.14);(110.0,2.38);(121.0,99.99);(122.0,7.59);(138.0,86.88);(139.0,7.13) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (27.0,1.72);(29.0,2.5);(37.0,1.62);(38.0,3.45);(39.0,13.63);(45.0,4.38);(50.0,1.64);(51.0,1.09);(53.0,3.05);(55.0,1.71);(61.0,1.18);(62.0,2.74);(63.0,8.5);(64.0,2.54);(65.0,17.02);(66.0,1.9);(81.0,1.68);(92.0,1.58);(93.0,7.0);(95.0,1.24);(105.0,1.52);(110.0,1.57);(121.0,99.99);(122.0,10.34);(138.0,38.57);(139.0,24.66);(140.0,2.05) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (41.0,4.72);(42.0,1.11);(43.0,5.32);(44.0,33.11);(45.0,4.67);(46.0,2.77);(27.0,1.15);(50.0,3.65);(51.0,3.42);(53.0,4.16);(55.0,6.99);(56.0,1.2);(57.0,3.75);(60.0,5.18);(61.0,3.19);(62.0,3.93);(63.0,10.05);(64.0,2.73);(65.0,18.71);(66.0,2.03);(69.0,2.5);(71.0,1.85);(73.0,4.21);(74.0,1.99);(77.0,5.28);(78.0,5.28);(81.0,2.4);(83.0,1.29);(85.0,1.01);(92.0,1.85);(93.0,23.85);(94.0,2.31);(105.0,8.52);(121.0,99.99);(122.0,13.94);(123.0,1.01);(138.0,86.15);(139.0,6.34) | | GC-MS | EI-B | positive | Not Available | View Spectrum | (86.0,0.117183);(87.1,0.332278);(88.0,0.186451);(89.05,5.379724);(90.05,2.148348);(91.05,8.917597);(92.05,2.215272);(93.05,1.273645);(94.1,0.199731);(95.05,1.096308);(96.05,0.82809);(97.0,0.694763);(98.0,0.377328);(99.0,0.234886);(100.0,0.076038);(101.0,0.139057);(102.0,0.146348);(103.05,2.573591);(104.05,3.747761);(105.0,2.700929);(106.0,0.353892);(107.0,0.910639);(108.0,0.169264);(109.05,0.664816);(110.1,0.182284);(111.05,1.580924);(112.0,0.364829);(113.0,0.140619);(114.0,0.027343);(115.0,0.599715);(116.0,0.129422);(117.0,0.86611);(118.05,1.32156);(119.05,2.1434);(120.0,0.88564);(121.05,2.500677);(122.05,0.874182);(123.05,0.589819);(124.0,0.080986);(125.15,0.387484);(126.05,16.38838);(127.05,2.163452);(128.1,0.063018);(129.1,0.110933);(130.1,0.043488);(131.05,1.375984);(132.05,0.234365);(133.05,3.300904);(134.05,0.802571);(135.05,5.825018);(136.05,0.817153);(137.05,0.591902);(138.0,0.060154);(139.0,0.060935);(140.0,0.025259);(141.0,0.056768);(143.0,0.180201);(144.0,0.052602);(145.05,0.365349);(146.1,0.119005);(147.1,4.673243);(148.05,1.093444);(149.05,4.443825);(150.05,1.259583);(151.0,2.080642);(152.05,0.264051);(153.0,0.095569);(154.0,0.036978);(155.0,0.043227);(156.0,0.039321);(157.0,0.122391);(158.0,0.014843);(159.0,0.072393);(160.0,0.004687);(161.0,0.146869);(162.0,0.158848);(163.05,1.01402);(164.05,0.334882);(165.05,0.941888);(166.05,0.389828);(167.0,0.177336);(168.0,0.056508);(169.0,0.016406);(170.0,0.035676);(171.0,0.015624);(172.0,0.015104);(173.0,0.03177);(174.0,0.010156);(175.0,0.094006);(176.0,0.021093);(177.0,0.912983);(178.05,0.299467);(179.0,3.616776);(180.0,0.739813);(180.95,0.780957);(181.9,0.09635);(182.9,0.07031);(183.9,0.031509);(184.9,0.027603);(185.9,0.014062);(187.9,0.017708);(188.9,0.044009);(189.9,0.041925);(191.0,1.600975);(192.05,0.716637);(193.0,51.443169);(194.0,8.97697);(195.0,3.739167);(196.0,0.458575);(197.0,0.110933);(198.0,0.018228);(201.0,0.00625);(202.0,0.010156);(203.0,0.014322);(204.0,0.035936);(205.0,0.107808);(206.0,0.061977);(207.0,6.002875);(208.0,1.445252);(209.0,1.021312);(210.0,0.208845);(211.0,0.053644);(212.0,0.016406);(215.0,0.016145);(217.0,0.010677);(218.0,0.022395);(219.0,0.111975);(220.0,0.063018);(221.0,0.918972);(222.05,0.503885);(223.05,100.0);(224.05,21.839455);(225.0,7.869985);(226.0,1.216095);(227.0,0.241136);(228.0,0.021353);(229.0,0.031509);(230.0,0.010156);(231.0,0.011458);(232.0,0.000521);(233.0,0.014322);(234.0,0.015104);(235.0,0.069008);(236.0,0.038019);(236.95,1.048133);(237.95,0.294259);(239.0,0.145567);(240.0,0.015104);(241.0,0.008854);(242.0,0.013541);(243.0,0.010677);(245.0,0.015624);(246.0,0.026041);(247.0,0.027603);(248.0,0.002864);(249.0,0.027343);(250.0,0.01276);(251.0,0.282801);(252.0,0.066924);(253.0,0.078643);(254.0,0.050519);(255.0,0.009375);(256.0,0.000521);(259.0,0.03177);(260.0,0.018228);(262.0,0.005729);(263.0,0.022395);(264.0,0.037238);(265.0,0.26301);(266.05,0.328111);(267.0,99.729438);(268.05,22.819622);(269.0,9.045196);(270.0,1.460616);(271.0,0.189055);(272.0,0.034894);(273.0,0.016145);(274.0,0.037238);(275.0,0.008593);(276.0,0.029686);(278.0,0.026041);(279.0,0.042707);(280.1,0.031509);(281.05,2.729313);(282.05,22.900608);(283.05,5.776843);(284.05,2.240792);(285.05,0.37889);(286.1,0.082809);(287.1,0.030207);(288.1,0.012239);(289.1,0.01901);(290.1,0.026041);(291.1,0.008854);(292.1,0.008593);(293.1,0.039061);(294.1,0.017187);(295.1,0.004166);(296.1,0.016145);(297.1,0.011458);(298.1,0.026561);(299.1,0.016145);(300.1,0.018489);(301.1,0.003646);(302.1,0.003385);(304.1,0.016145);(305.1,0.029686);(306.1,0.03229);(307.1,0.026561);(308.1,0.004166);(309.1,0.011458);(311.1,0.010156);(312.1,0.014062);(313.1,0.018489);(314.1,0.002083);(315.1,0.028905);(316.1,0.012239);(317.1,0.015624);(318.1,0.00625);(319.1,0.009375);(321.1,0.008593);(322.1,0.030207);(323.1,0.020312);(324.1,0.023957);(325.1,0.010937);(326.1,0.010937);(327.1,0.008593);(328.1,0.008593);(329.1,0.018489);(330.1,0.002083);(331.1,0.022395);(332.1,0.01302);(333.1,0.02552);(334.1,0.018228);(335.1,0.002864);(337.1,0.032811);(338.1,0.026561);(339.1,0.034894);(340.1,0.017708);(341.1,0.001562);(342.1,0.009375);(343.1,0.014322);(344.1,0.012239);(345.1,0.008073);(346.1,0.01302);(347.1,0.010937);(348.1,0.033592);(349.1,0.005469);(350.1,0.009375);(351.1,0.005469);(352.1,0.032811);(353.1,0.022655);(354.1,0.007812);(355.1,0.055727);(356.1,0.009895);(357.1,0.021093);(358.1,0.037759);(359.1,0.012239);(360.1,0.026561);(361.1,0.016145);(362.1,0.026561);(363.1,0.01276);(364.1,0.026822);(365.1,0.000521);(367.1,0.015624);(368.1,0.030207);(369.1,0.01901);(370.1,0.011458);(371.1,0.021353);(372.1,0.023437);(374.1,0.006771);(375.1,0.009895);(376.1,0.010937);(377.1,0.016145);(378.1,0.028124);(379.1,0.004687);(380.1,0.010156);(381.1,0.017187);(384.1,0.030207);(385.1,0.002083);(386.1,0.01276);(387.1,0.021093);(388.1,0.001302);(390.1,0.010677);(391.1,0.000781);(392.1,0.016406);(393.1,0.020572);(394.1,0.01927);(395.1,0.010156);(396.1,0.016926);(397.1,0.007031);(398.1,0.024478);(399.1,0.020572);(400.1,0.020572);(401.1,0.017708);(402.1,0.056768);(403.1,0.020312);(405.1,0.022655);(406.1,0.007031);(407.1,0.01276);(408.1,0.005729);(409.1,0.024478);(410.1,0.007552);(411.1,0.028905);(412.1,0.000781);(413.1,0.009375);(414.1,0.016145);(415.1,0.015624);(417.1,0.014062);(419.1,0.01276);(422.1,0.008073);(423.1,0.020312);(424.1,0.024739);(425.1,0.002864);(426.1,0.01276);(427.1,0.012239);(428.1,0.009895);(429.1,0.009895);(430.1,0.025259);(431.1,0.035676);(432.1,0.008073);(433.1,0.041405);(434.1,0.027603);(435.1,0.010156);(436.1,0.010937);(439.1,0.013541);(441.1,0.01276);(443.1,0.005469);(444.1,0.013541);(448.1,0.014322);(449.1,0.036978);(451.1,0.013541);(452.1,0.009375);(453.1,0.016145);(456.1,0.013541);(457.1,0.01276);(458.1,0.021093);(459.1,0.002864);(460.1,0.024478);(461.1,0.015104);(463.1,0.01901);(464.1,0.01302);(466.1,0.021093);(468.1,0.016406);(469.1,0.000521);(470.1,0.028905);(471.1,0.000521);(472.1,0.030207);(473.1,0.01302);(474.1,0.004687);(475.1,0.036457);(476.1,0.004948);(477.1,0.008073);(478.1,0.014843);(479.1,0.010156);(480.1,0.023437);(481.1,0.016926);(482.1,0.014062);(484.1,0.01901);(485.1,0.000781);(486.1,0.018228);(487.1,0.01901);(488.1,0.01927);(489.1,0.001302);(490.1,0.022655);(491.1,0.00625);(492.1,0.000781);(493.1,0.033072);(497.1,0.011458);(498.1,0.011458) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,0.3003);(83.0,1.101101);(84.0,0.4004);(85.0,1.001001);(87.0,0.4004);(88.0,0.1001);(89.0,4.104104);(90.0,1.501502);(91.0,6.806807);(92.0,3.203203);(93.0,1.501502);(94.0,0.2002);(95.0,1.401401);(96.0,0.600601);(97.0,0.600601);(98.0,0.2002);(99.0,0.2002);(101.0,0.2002);(102.0,0.3003);(103.0,2.602603);(104.0,3.403403);(105.0,3.803804);(106.0,0.4004);(107.0,1.501502);(108.0,0.2002);(109.0,0.800801);(110.0,0.1001);(111.0,1.001001);(115.0,1.101101);(116.0,0.1001);(117.0,1.001001);(118.0,1.201201);(119.0,2.102102);(120.0,1.201201);(121.0,2.402402);(122.0,1.701702);(123.0,0.900901);(125.0,0.1001);(126.0,5.305305);(129.0,0.1001);(131.0,1.101101);(132.0,0.1001);(133.0,3.603604);(134.0,0.700701);(135.0,6.006006);(136.0,0.600601);(137.0,0.600601);(143.0,0.1001);(145.0,0.3003);(147.0,2.702703);(148.0,0.500501);(149.0,3.403403);(150.0,0.800801);(151.0,6.206206);(152.0,0.1001);(153.0,0.1001);(157.0,0.1001);(161.0,0.1001);(163.0,0.700701);(164.0,0.2002);(165.0,0.700701);(166.0,0.700701);(167.0,0.1001);(176.0,0.2002);(177.0,0.600601);(178.0,0.1001);(179.0,4.404404);(180.0,0.500501);(181.0,0.500501);(191.0,1.001001);(192.0,0.4004);(193.0,31.231231);(194.0,4.204204);(195.0,1.301301);(196.0,0.1001);(207.0,3.103103);(208.0,0.600601);(209.0,0.4004);(221.0,0.800801);(222.0,0.700701);(223.0,78.078078);(224.0,12.512513);(225.0,3.803804);(226.0,0.3003);(237.0,0.3003);(238.0,0.1001);(239.0,0.1001);(240.0,0.1001);(241.0,0.1001);(242.0,0.1001);(243.0,0.1001);(244.0,0.1001);(245.0,0.1001);(246.0,0.1001);(247.0,0.1001);(248.0,0.1001);(249.0,0.1001);(250.0,0.1001);(251.0,0.2002);(252.0,0.1001);(253.0,0.1001);(254.0,0.1001);(265.0,0.3003);(266.0,1.301301);(267.0,100.0);(268.0,18.018018);(269.0,4.904905);(270.0,0.3003);(273.0,0.1001);(282.0,3.703704);(283.0,0.1001) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,4.704705);(86.0,0.500501);(87.0,1.101101);(88.0,0.600601);(89.0,14.214214);(90.0,6.106106);(91.0,21.821822);(92.0,10.810811);(93.0,5.105105);(94.0,0.700701);(95.0,4.004004);(96.0,2.202202);(97.0,1.801802);(98.0,0.800801);(99.0,1.101101);(100.0,0.2002);(101.0,0.500501);(102.0,0.500501);(103.0,7.307307);(104.0,9.50951);(105.0,9.109109);(106.0,1.501502);(107.0,3.403403);(108.0,0.600601);(109.0,2.102102);(110.0,0.4004);(111.0,3.303303);(112.0,0.700701);(113.0,0.4004);(115.0,2.102102);(116.0,0.4004);(117.0,2.302302);(118.0,3.503504);(119.0,6.006006);(120.0,3.603604);(121.0,7.007007);(122.0,3.903904);(123.0,2.202202);(124.0,0.4004);(125.0,0.700701);(126.0,27.927928);(127.0,3.003003);(128.0,0.1001);(129.0,0.3003);(130.0,0.1001);(131.0,2.902903);(132.0,0.700701);(133.0,9.309309);(134.0,2.302302);(135.0,15.115115);(136.0,2.402402);(137.0,1.901902);(138.0,0.3003);(139.0,0.2002);(141.0,0.2002);(143.0,0.500501);(144.0,0.1001);(145.0,1.001001);(146.0,0.3003);(147.0,8.408408);(148.0,2.402402);(149.0,10.610611);(150.0,3.403403);(151.0,11.611612);(152.0,1.801802);(153.0,0.700701);(154.0,0.1001);(155.0,0.1001);(157.0,0.3003);(158.0,0.1001);(159.0,0.1001);(161.0,0.500501);(162.0,0.3003);(163.0,2.402402);(164.0,0.900901);(165.0,2.102102);(166.0,1.701702);(167.0,0.700701);(168.0,0.1001);(175.0,0.2002);(176.0,0.1001);(177.0,1.801802);(178.0,0.700701);(179.0,10.510511);(180.0,2.002002);(181.0,1.701702);(182.0,0.3003);(183.0,0.1001);(189.0,0.1001);(191.0,2.602603);(192.0,1.201201);(193.0,72.572573);(194.0,14.214214);(195.0,6.306306);(196.0,1.001001);(197.0,0.3003);(205.0,0.1001);(206.0,0.2002);(207.0,7.507508);(208.0,1.901902);(209.0,1.501502);(210.0,0.600601);(211.0,0.1001);(221.0,1.201201);(222.0,0.900901);(223.0,100.0);(224.0,25.725726);(225.0,10.41041);(226.0,1.901902);(227.0,0.4004);(228.0,0.1001);(237.0,1.201201);(238.0,0.4004);(239.0,0.3003);(240.0,0.1001);(241.0,0.1001);(242.0,0.1001);(243.0,0.1001);(244.0,0.1001);(245.0,0.1001);(246.0,0.2002);(247.0,0.1001);(248.0,0.2002);(249.0,0.2002);(250.0,0.1001);(251.0,0.500501);(252.0,0.3003);(253.0,0.3003);(254.0,0.2002);(255.0,0.2002);(256.0,0.1001);(265.0,0.3003);(266.0,0.700701);(267.0,89.289289);(268.0,23.423423);(269.0,9.309309);(270.0,1.701702);(271.0,0.3003);(272.0,0.1001);(273.0,0.2002);(274.0,0.1001);(275.0,0.1001);(276.0,0.1001);(277.0,0.1001);(278.0,0.1001);(281.0,2.502503);(282.0,21.321321);(283.0,5.805806);(284.0,2.202202);(285.0,0.4004) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,1.601602);(61.0,2.902903);(62.0,1.201201);(63.0,4.504505);(64.0,3.503504);(65.0,3.203203);(66.0,1.501502);(67.0,1.501502);(69.0,0.600601);(70.0,0.800801);(71.0,1.201201);(72.0,1.901902);(73.0,100.0);(74.0,10.810811);(75.0,11.211211);(76.0,5.405405);(77.0,6.706707);(78.0,1.601602);(79.0,3.803804);(80.0,0.3003);(81.0,1.001001);(82.0,0.600601);(83.0,2.002002);(84.0,0.600601);(85.0,2.002002);(86.0,0.2002);(87.0,0.800801);(88.0,0.3003);(89.0,6.006006);(90.0,2.702703);(91.0,11.011011);(92.0,5.305305);(93.0,2.402402);(94.0,0.3003);(95.0,1.801802);(96.0,0.800801);(97.0,0.700701);(98.0,0.2002);(99.0,0.4004);(101.0,0.2002);(102.0,0.3003);(103.0,3.203203);(104.0,4.104104);(105.0,4.504505);(106.0,0.600601);(107.0,1.801802);(108.0,0.3003);(109.0,0.900901);(110.0,0.1001);(111.0,1.001001);(112.0,0.2002);(113.0,0.1001);(115.0,1.101101);(116.0,0.2002);(117.0,1.001001);(118.0,1.201201);(119.0,2.402402);(120.0,1.501502);(121.0,2.802803);(122.0,2.002002);(123.0,1.101101);(124.0,0.2002);(125.0,0.2002);(126.0,9.109109);(127.0,1.001001);(129.0,0.1001);(131.0,1.101101);(132.0,0.2002);(133.0,3.803804);(134.0,0.900901);(135.0,5.805806);(136.0,0.900901);(137.0,0.800801);(138.0,0.1001);(139.0,0.1001);(143.0,0.1001);(145.0,0.3003);(146.0,0.1001);(147.0,3.103103);(148.0,0.900901);(149.0,3.903904);(150.0,1.301301);(151.0,5.505506);(152.0,0.700701);(153.0,0.2002);(157.0,0.1001);(161.0,0.2002);(162.0,0.1001);(163.0,0.800801);(164.0,0.2002);(165.0,0.800801);(166.0,0.700701);(167.0,0.2002);(177.0,0.600601);(178.0,0.2002);(179.0,4.404404);(180.0,0.700701);(181.0,0.600601);(182.0,0.1001);(191.0,0.800801);(192.0,0.3003);(193.0,25.425425);(194.0,4.904905);(195.0,2.002002);(196.0,0.3003);(207.0,2.502503);(208.0,0.600601);(209.0,0.500501);(210.0,0.1001);(221.0,0.4004);(222.0,0.3003);(223.0,36.236236);(224.0,8.608609);(225.0,3.503504);(226.0,0.500501);(227.0,0.1001);(237.0,0.3003);(238.0,0.1001);(251.0,0.1001);(252.0,0.1001);(265.0,0.1001);(266.0,0.3003);(267.0,31.131131);(268.0,7.807808);(269.0,3.203203);(270.0,0.500501);(271.0,0.1001);(281.0,0.800801);(282.0,6.906907);(283.0,1.801802);(284.0,0.700701);(285.0,0.1001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.016);(71.0,0.023);(76.0,0.108);(77.0,0.094);(78.0,0.024);(79.0,0.051);(80.0,0.008);(81.0,0.024);(82.0,0.017);(83.0,0.041);(84.0,0.016);(85.0,0.045);(86.0,0.006);(87.0,0.034);(88.0,0.009);(89.0,0.134);(90.0,0.06);(91.0,0.227);(92.0,0.106);(93.0,0.052);(94.0,0.011);(95.0,0.041);(96.0,0.021);(97.0,0.018);(98.0,0.007);(99.0,0.01);(100.0,0.003);(101.0,0.013);(102.0,0.006);(103.0,0.074);(104.0,0.087);(105.0,0.095);(106.0,0.016);(107.0,0.038);(108.0,0.009);(109.0,0.021);(110.0,0.008);(111.0,0.032);(112.0,0.007);(113.0,0.004);(115.0,0.022);(116.0,0.01);(117.0,0.025);(118.0,0.034);(119.0,0.056);(120.0,0.038);(121.0,0.07);(122.0,0.042);(123.0,0.025);(124.0,0.005);(125.0,0.008);(126.0,0.289);(127.0,0.031);(129.0,0.006);(130.0,0.003);(131.0,0.032);(132.0,0.007);(133.0,0.098);(134.0,0.021);(135.0,0.158);(136.0,0.024);(137.0,0.018);(138.0,0.004);(139.0,0.002);(141.0,0.002);(143.0,0.005);(144.0,0.003);(145.0,0.009);(146.0,0.003);(150.0,0.036);(151.0,0.127);(152.0,0.018);(153.0,0.007);(155.0,0.002);(157.0,0.005);(159.0,0.004);(161.0,0.006);(162.0,0.003);(163.0,0.023);(164.0,0.007);(165.0,0.022);(166.0,0.017);(167.0,0.006);(168.0,0.003);(175.0,0.003);(177.0,0.022);(178.0,0.006);(179.0,0.113);(180.0,0.018);(181.0,0.019);(182.0,0.005);(191.0,0.028);(192.0,0.012);(193.0,0.773);(194.0,0.159);(195.0,0.067);(196.0,0.01);(197.0,0.002);(205.0,0.004);(207.0,0.088);(208.0,0.021);(209.0,0.016);(210.0,0.006);(211.0,0.004);(220.0,0.004);(221.0,0.018);(222.0,0.009);(223.0,1.0);(224.0,0.281);(225.0,0.11);(226.0,0.016);(227.0,0.004);(237.0,0.013);(238.0,0.008);(239.0,0.002);(240.0,0.003);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(251.0,0.005);(252.0,0.003);(253.0,0.003);(256.0,0.003);(265.0,0.004);(266.0,0.011);(267.0,0.897);(268.0,0.274);(269.0,0.113);(270.0,0.018);(271.0,0.004);(274.0,0.002);(281.0,0.035);(282.0,0.247);(283.0,0.073);(284.0,0.028);(285.0,0.006) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,5.405405);(86.0,0.600601);(87.0,1.701702);(88.0,0.700701);(89.0,16.516517);(90.0,6.706707);(91.0,29.329329);(92.0,14.214214);(93.0,6.806807);(94.0,0.800801);(95.0,5.105105);(96.0,2.402402);(97.0,2.202202);(98.0,0.800801);(99.0,1.101101);(100.0,0.1001);(101.0,0.600601);(102.0,0.700701);(103.0,8.508509);(104.0,9.50951);(105.0,11.511512);(106.0,1.701702);(107.0,4.404404);(108.0,0.700701);(109.0,2.302302);(110.0,0.4004);(111.0,3.203203);(112.0,0.600601);(113.0,0.3003);(115.0,2.902903);(116.0,0.4004);(117.0,2.502503);(118.0,3.503504);(119.0,6.406406);(120.0,3.803804);(121.0,7.707708);(122.0,4.904905);(123.0,2.902903);(124.0,0.500501);(125.0,0.600601);(126.0,25.625626);(127.0,2.702703);(128.0,0.1001);(129.0,0.3003);(130.0,0.1001);(131.0,3.203203);(132.0,0.600601);(133.0,10.11011);(134.0,2.402402);(135.0,16.516517);(136.0,2.602603);(137.0,2.102102);(138.0,0.2002);(139.0,0.2002);(141.0,0.1001);(143.0,0.4004);(145.0,0.900901);(146.0,0.2002);(147.0,9.309309);(148.0,2.502503);(149.0,11.111111);(150.0,3.403403);(151.0,15.015015);(152.0,2.002002);(153.0,0.700701);(157.0,0.3003);(159.0,0.1001);(161.0,0.4004);(162.0,0.2002);(163.0,2.302302);(164.0,0.600601);(165.0,2.302302);(166.0,1.801802);(167.0,0.500501);(168.0,0.1001);(175.0,0.1001);(177.0,1.801802);(178.0,0.600601);(179.0,11.811812);(180.0,1.901902);(181.0,1.801802);(182.0,0.2002);(183.0,0.1001);(191.0,2.202202);(192.0,0.900901);(193.0,76.976977);(194.0,14.214214);(195.0,6.006006);(196.0,0.800801);(197.0,0.2002);(205.0,0.1001);(206.0,0.1001);(207.0,7.707708);(208.0,1.801802);(209.0,1.301301);(210.0,0.3003);(211.0,0.1001);(221.0,0.900901);(222.0,0.600601);(223.0,100.0);(224.0,24.424424);(225.0,9.60961);(226.0,1.601602);(227.0,0.2002);(237.0,0.900901);(238.0,0.2002);(239.0,0.1001);(240.0,0.1001);(242.0,0.1001);(243.0,0.1001);(244.0,0.1001);(245.0,0.1001);(246.0,0.1001);(247.0,0.1001);(248.0,0.1001);(249.0,0.1001);(250.0,0.1001);(251.0,0.3003);(252.0,0.2002);(253.0,0.1001);(254.0,0.1001);(255.0,0.1001);(265.0,0.2002);(266.0,0.700701);(267.0,85.585586);(268.0,21.421421);(269.0,8.708709);(270.0,1.401401);(271.0,0.2002);(273.0,0.1001);(274.0,0.1001);(275.0,0.1001);(276.0,0.1001);(277.0,0.1001);(278.0,0.1001);(281.0,2.202202);(282.0,18.318318);(283.0,4.604605);(284.0,1.801802);(285.0,0.2002) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (23.99945142,1.328499142);(25.00727602,2.146278063);(26.01510062,0.9562869855);(27.02292522,1.362354303);(44.99710422,1.567057262);(53.00219012,1.533195165);(55.01783932,0.9323478076);(63.02292522,1.433714231);(65.03857442,1.717695997);(67.98927962,1.632523404);(68.99710422,0.8763578631);(70.00492882,1.039370396);(77.00219012,1.049668888);(79.01783932,2.014071997);(82.00492882,0.9664414955);(84.02057802,1.063351879);(91.01783932,1.335327827);(93.03348852,1.011578952);(94.00492882,0.8497322426);(94.04131312,13.46865958);(95.04471168,0.9217753771);(106.0049288,1.117455078);(107.0127534,1.467089143);(108.020578,2.004863221);(109.0284026,2.748798148);(110.0362272,2.231163702);(120.020578,13.33944175);(121.0239635,1.063251068);(121.0284026,7.023165032);(138.0311413,27.58142654);(139.0345415,2.217057459) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,0.840578741);(27.02292522,1.27180901);(57.01550142,1.182346157);(71.03115062,1.419139811);(72.03897522,0.8054154781);(73.01041552,0.9686079544);(73.04679982,14.29547684);(74.04796012,1.22321015);(89.04171392,4.535381514);(121.0284026,0.6338483834);(149.0417139,0.9931003107);(151.0573631,2.5239995);(165.0730123,2.510424321);(166.0808369,0.7905019808);(167.0886615,0.8247108395);(177.036628,0.9326270486);(179.0522772,1.032510099);(181.0679264,2.411543319);(192.0601018,0.9331226911);(193.0679264,12.55789879);(194.0701599,2.075488513);(195.0471913,2.671319849);(208.0550159,1.031269814);(209.0628405,3.35080563);(210.0706651,1.780615917);(211.0784897,2.113244321);(266.0788905,1.019895771);(267.0867151,6.394760412);(268.0885084,1.531997265);(281.1023643,0.7045309055);(282.1101889,1.246854621) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.8783833927);(25.00727602,1.729748865);(26.01510062,0.7699760685);(27.02292522,1.098110767);(39.99436552,0.7209953023);(44.99710422,1.261751554);(53.00219012,1.235590245);(63.02292522,1.155255153);(65.03857442,1.384081366);(67.98927962,1.503541944);(68.99710422,0.7053416157);(70.00492882,0.8368725534);(77.00219012,0.845880546);(79.01783932,1.62299312);(82.00492882,0.7781522017);(84.02057802,0.8561817857);(91.01783932,1.076852649);(93.03348852,0.8168181791);(94.00492882,0.6841811102);(94.04131312,10.84425795);(95.04471168,0.742165165);(106.0049288,0.8997441988);(107.0127534,1.180762967);(108.020578,1.614260912);(109.0284026,2.211689877);(110.0362272,1.796471856);(120.020578,10.73994593);(121.0239635,0.8560522387);(121.0284026,5.65623987);(138.0311413,22.17377962);(139.0345415,1.782378567) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.01550142,2.479138552);(71.03115062,2.150103067);(72.03897522,1.251050471);(73.01041552,0.5881297298);(73.04679982,17.10378592);(74.04796012,1.463506588);(75.02606472,1.897757372);(75.04406895,0.6123572901);(79.01783932,0.616458328);(89.04171392,3.432942241);(90.04953852,0.6133295795);(91.05736312,0.6540090055);(94.04131312,3.011722693);(95.04913772,1.511329407);(120.020578,1.354308551);(121.0284026,18.25034085);(122.0317936,1.457423604);(138.0311413,2.63577802);(139.0389659,2.369411423);(141.036628,0.6032366027);(165.036628,0.5661632122);(167.0522772,1.257030341);(181.0679264,0.6938998472);(192.0601018,1.134063486);(193.0679264,1.426549301);(195.0471913,6.077384005);(196.0493403,0.9368560432);(209.0628405,1.200928478);(210.0706651,2.915006408) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.627928635);(27.02292522,1.324300782);(29.03857442,0.7743831232);(44.99710422,1.22815902);(57.01550142,1.021856545);(71.03115062,1.222652944);(73.01041552,0.7320340487);(73.04679982,13.99834041);(74.04796012,1.197785304);(89.04171392,0.7921112498);(107.0127534,1.684783573);(108.020578,0.9919626842);(109.0284026,3.976098566);(121.0284026,1.992729518);(123.0260647,1.08468391);(127.0573631,1.083400566);(138.0311413,3.36979648);(139.0389659,2.433049906);(149.0417139,1.970186108);(151.0573631,3.816776519);(164.0651877,1.105483796);(165.0730123,1.520346694);(166.0808369,1.491965722);(177.036628,2.716595192);(192.0601018,2.059461042);(193.0679264,3.136890272);(194.0393667,0.9131876392);(195.0471913,6.591528472);(196.0493403,1.016113722);(209.0628405,1.21370018);(210.0706651,2.968702236) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.126793843);(57.01550142,1.159129685);(57.06987282,2.326141106);(59.03115062,1.90633588);(75.02606472,2.636809638);(94.04131312,1.417090618);(115.0937474,1.403449492);(120.020578,1.414135403);(121.0284026,14.10592401);(122.0317936,1.126461516);(123.0440518,1.405988628);(131.0886615,0.9945774473);(138.0311413,2.761838624);(139.0389659,2.742865082);(181.0315421,1.459974129);(195.0471913,31.01559956);(196.0493403,4.781193991);(196.0550159,2.214557737);(197.046554,1.543648428);(197.0628405,1.371064819);(237.0941389,1.719139159) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,0.7907305634);(55.05422362,1.174142113);(56.06204822,0.6676972615);(57.06987282,2.458157199);(58.07769742,0.6942062998);(59.03115062,1.30550567);(59.08552202,0.836470263);(109.0284026,1.495151677);(115.0937474,1.012693217);(138.0311413,4.210668619);(139.0389659,3.749567026);(151.0573631,1.607149549);(153.0730123,0.7337542644);(177.036628,1.198410291);(179.0522772,1.863677317);(181.0315421,1.78309595);(193.1043107,0.791901683);(194.0393667,1.746664249);(195.0471913,38.15179114);(196.0493403,5.881269977);(196.0550159,1.901881499);(197.046554,1.898817152);(197.0628405,1.477401502);(235.114874,0.7780586805);(237.0941389,2.099166865) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,0.7243233594);(27.02292522,1.095912768);(55.05422362,1.352526347);(57.06987282,2.249226893);(59.08552202,0.8510664809);(73.01041552,0.967605808);(115.0937474,2.900639077);(131.0886615,3.222891251);(151.0573631,1.50031161);(177.036628,1.479597246);(193.0315421,0.9672806477);(195.0471913,4.671434713);(207.1199599,1.244657728);(223.114874,1.256905915);(235.114874,8.700352483);(236.1173143,1.737942695);(251.0554167,2.582741529);(251.1097881,1.828253359);(253.0710659,8.725818487);(253.1254373,1.983381534);(254.0727766,1.99015627);(255.0700291,0.8385694729);(255.0867151,2.078363662);(295.1180135,2.264844403);(309.1336627,4.612158694);(310.1356621,1.263974039);(310.1414873,1.013401925);(311.1493119,1.246465045);(350.1727857,0.74303195);(351.1806103,2.423000881);(352.1827698,0.7475793066) | | LC-MS/MS | Quattro_QQQ | Negative | low | View Spectrum | (93.042,100.0);(136.921,55.0) | | LC-MS/MS | Quattro_QQQ | Negative | med | View Spectrum | (65.168,8.523);(93.011,100.0);(136.819,3.622) | | LC-MS/MS | Quattro_QQQ | Negative | high | View Spectrum | (41.317,12.162);(65.152,42.23);(75.091,8.15);(90.975,3.716);(92.941,100.0);(136.858,7.01) | | LC-MS/MS | EI-B (HITACHI M-68) | Positive | Not Available | View Spectrum | (38.0,0.046046046);(39.0,0.1881881882);(45.0,0.033033033);(50.0,0.029029029);(51.0,0.021021021);(53.0,0.0510510511);(55.0,0.035035035);(61.0,0.002002002);(62.0,0.042042042);(63.0,0.1021021021);(65.0,0.2402402402);(66.0,0.003003003);(74.0,0.017017017);(75.0,0.011011011);(81.0,0.037037037);(92.0,0.003003003);(93.0,0.2072072072);(94.0,0.017017017);(109.0,0.011011011);(110.0,0.002002002);(121.0,1.0);(122.0,0.0750750751);(138.0,0.7007007007);(139.0,0.0700700701) | | LC-MS/MS | EI-B (HITACHI M-60) | Positive | Not Available | View Spectrum | (27.0,0.0530530531);(29.0,0.1331331331);(39.0,0.1271271271);(41.0,0.2182182182);(42.0,0.0600600601);(43.0,0.1011011011);(53.0,0.017017017);(55.0,0.2332332332);(56.0,0.1511511512);(57.0,0.1631631632);(63.0,0.009009009);(64.0,0.014014014);(65.0,0.1681681682);(69.0,0.0800800801);(70.0,0.7477477477);(71.0,0.1101101101);(82.0,0.044044044);(83.0,0.2322322322);(84.0,0.1391391391);(92.0,0.017017017);(93.0,0.1741741742);(94.0,0.011011011);(95.0,0.024024024);(97.0,0.01001001);(112.0,0.4774774775);(113.0,0.047047047);(120.0,0.009009009);(121.0,1.0);(122.0,0.0890890891);(123.0,0.004004004);(138.0,0.4804804805);(139.0,0.2572572573);(140.0,0.02002002);(151.0,0.004004004);(250.0,0.007007007) | | LC-MS/MS | EI-B (HITACHI M-80) | Positive | Not Available | View Spectrum | (26.0,0.01001001);(27.0,0.023023023);(29.0,0.024024024);(37.0,0.029029029);(38.0,0.0570570571);(39.0,0.1801801802);(40.0,0.011011011);(45.0,0.047047047);(50.0,0.034034034);(51.0,0.033033033);(53.0,0.0550550551);(54.0,0.036036036);(60.0,0.03003003);(62.0,0.0570570571);(63.0,0.1091091091);(64.0,0.045045045);(65.0,0.2492492492);(66.0,0.036036036);(74.0,0.021021021);(75.0,0.012012012);(81.0,0.043043043);(92.0,0.035035035);(93.0,0.2282282282);(94.0,0.018018018);(109.0,0.011011011);(110.0,0.024024024);(121.0,1.0);(122.0,0.0760760761);(138.0,0.8698698699);(139.0,0.0710710711) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (45.2,0.014014014);(55.0,0.001001001);(58.2,0.001001001);(59.2,1.0);(59.8,0.001001001);(61.1,0.004004004);(63.9,0.001001001);(64.7,0.001001001);(68.7,0.001001001);(73.2,0.001001001);(74.9,0.005005005);(77.1,0.018018018);(79.1,0.012012012);(81.4,0.001001001);(86.9,0.002002002);(89.4,0.001001001);(90.1,0.001001001);(91.0,0.004004004);(93.2,0.0590590591);(96.9,0.001001001);(99.2,0.001001001);(101.4,0.004004004);(105.2,0.011011011);(106.9,0.001001001);(118.5,0.006006006);(119.1,0.2592592593);(129.2,0.001001001);(137.1,0.7317317317);(159.2,0.001001001);(168.8,0.001001001);(176.8,0.001001001);(195.2,0.008008008);(196.1,0.001001001);(199.0,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (34.8,0.001001001);(37.0,0.001001001);(41.9,0.001001001);(42.5,0.001001001);(45.1,0.018018018);(45.8,0.001001001);(46.8,0.001001001);(57.0,0.001001001);(57.9,0.001001001);(59.1,1.0);(59.9,0.005005005);(61.3,0.002002002);(65.7,0.001001001);(71.4,0.001001001);(72.9,0.001001001);(75.1,0.006006006);(77.0,0.008008008);(79.0,0.016016016);(81.3,0.001001001);(85.0,0.001001001);(87.1,0.002002002);(88.8,0.001001001);(92.1,0.001001001);(93.1,0.3123123123);(94.4,0.001001001);(97.1,0.005005005);(99.4,0.001001001);(100.8,0.002002002);(128.8,0.001001001);(130.5,0.001001001);(137.1,0.04004004);(138.9,0.001001001);(158.9,0.001001001);(195.4,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (34.8,0.001001001);(45.2,0.025025025);(47.2,0.001001001);(57.0,0.001001001);(59.1,1.0);(60.2,0.008008008);(61.2,0.001001001);(65.2,0.003003003);(70.9,0.001001001);(73.2,0.001001001);(74.9,0.005005005);(77.1,0.002002002);(79.0,0.03003003);(87.2,0.001001001);(93.1,0.3003003003);(97.0,0.004004004);(100.9,0.001001001);(109.1,0.001001001);(137.5,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (33.2,0.001001001);(39.3,0.002002002);(40.9,0.002002002);(45.0,0.04004004);(46.9,0.002002002);(54.5,0.001001001);(57.5,0.001001001);(59.1,1.0);(59.9,0.011011011);(61.0,0.001001001);(65.0,0.025025025);(73.2,0.001001001);(74.9,0.008008008);(76.9,0.001001001);(79.3,0.0580580581);(92.4,0.002002002);(93.1,0.3633633634);(97.4,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (32.1,0.003003003);(39.2,0.009009009);(41.2,0.014014014);(45.1,0.0850850851);(48.9,0.004004004);(58.2,0.008008008);(59.1,1.0);(60.0,0.015015015);(65.0,0.0870870871);(67.7,0.006006006);(75.0,0.026026026);(78.3,0.004004004);(78.9,0.1841841842);(93.1,0.3573573574) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (95.0503,1.0);(121.0293,0.9249249249);(139.0395,0.5105105105) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (57.9624,0.0580580581);(90.5458,0.0800800801);(97.9979,0.2792792793);(99.0062,1.0);(99.5551,0.2922922923);(100.5533,0.1111111111);(111.068,0.1181181181);(112.0676,0.0640640641);(117.0255,0.04004004);(139.0395,0.042042042) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (93.0341,1.0);(137.0239,0.2562562563) | | LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (121.026917,13201.0);(122.029503,311.0);(139.035797,1013.0) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (45.2,1.445413);(55.0,0.019187);(58.2,0.125781);(59.2,100.0);(59.8,0.057561);(61.1,0.35176);(63.9,0.021319);(64.7,0.012791);(68.7,0.03411);(73.2,0.076748);(74.9,0.456222);(77.1,1.844074);(79.1,1.170401);(81.4,0.004264);(86.9,0.200397);(89.4,0.055429);(90.1,0.029846);(91.0,0.409321);(93.2,5.915961);(96.9,0.134308);(99.2,0.057561);(101.4,0.388002);(105.2,1.097917);(106.9,0.044769);(118.5,0.560684);(119.1,25.898054);(129.2,0.144968);(137.1,73.142601);(159.2,0.017055);(168.8,0.004264);(176.8,0.03411);(195.2,0.835696);(196.1,0.040506);(199.0,0.049033) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (34.8,0.01431);(37.0,0.019079);(41.9,0.01431);(42.5,0.007155);(45.1,1.822084);(45.8,0.021464);(46.8,0.054853);(57.0,0.076318);(57.9,0.040544);(59.1,100.0);(59.9,0.47937);(61.3,0.202719);(65.7,0.016694);(71.4,0.016694);(72.9,0.071548);(75.1,0.601002);(77.0,0.753637);(79.0,1.576437);(81.3,0.016694);(85.0,0.031004);(87.1,0.166945);(88.8,0.038159);(92.1,0.035774);(93.1,31.254472);(94.4,0.00477);(97.1,0.457906);(99.4,0.102552);(100.8,0.195564);(128.8,0.104937);(130.5,0.00954);(137.1,4.040067);(138.9,0.035774);(158.9,0.007155);(195.4,0.042929) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (34.8,0.009587);(45.2,2.54542);(47.2,0.10546);(57.0,0.129428);(59.1,100.0);(60.2,0.781362);(61.2,0.091079);(65.2,0.349935);(70.9,0.057524);(73.2,0.100666);(74.9,0.488951);(77.1,0.182158);(79.0,2.962466);(87.2,0.033555);(93.1,29.993768);(97.0,0.354729);(100.9,0.023968);(109.1,0.019175);(137.5,0.038349) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (33.2,0.103017);(39.3,0.206034);(40.9,0.206034);(45.0,4.047093);(46.9,0.250184);(54.5,0.073584);(57.5,0.147167);(59.1,100.0);(59.9,1.059603);(61.0,0.117734);(65.0,2.487123);(73.2,0.058867);(74.9,0.779985);(76.9,0.073584);(79.3,5.783664);(92.4,0.191317);(93.1,36.306107);(97.4,0.147167) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (32.1,0.309598);(39.2,0.866873);(41.2,1.362229);(45.1,8.482972);(48.9,0.371517);(58.2,0.804954);(59.1,100.0);(60.0,1.486068);(65.0,8.73065);(67.7,0.557276);(75.0,2.600619);(78.3,0.371517);(78.9,18.452012);(93.1,35.727554) | | LC-MS/MS | LC-ESI-ITFT | negative | Not Available | View Spectrum | (93.0345,75.173917);(137.0243,100.0) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (93.0341,100.0);(137.0239,25.592953) | | LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (71.308556,0.09);(74.463036,0.092795);(78.962967,0.099629);(92.728027,0.097716);(93.033165,100.0);(94.03643,3.034501);(137.023254,18.012091);(137.03273,0.541403);(138.018051,0.386325);(138.027145,0.524923);(147.218979,0.0892);(154.355591,0.105812) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (95.0503,33.43);(121.0293,30.91);(139.0395,17.06) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (57.9624,5.771878);(90.5458,8.043265);(97.9979,27.885939);(99.0062,100.0);(99.5551,29.228122);(100.5533,11.091445);(111.068,11.794494);(112.0676,6.396264);(117.0255,4.004425);(139.0395,4.17355) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.03316,100.0);(94.03643,3.03);(137.02325,18.01) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.0397,15.92);(75.024,1.28);(93.0346,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02262,4.3);(41.03849,1.3);(45.01294,2.4);(56.96477,7.5);(57.93335,1.6);(65.03837,20.1);(67.05285,4.9);(77.03817,100.0);(79.98324,1.4);(93.03343,18.8);(95.04839,38.2);(105.04597,4.5);(121.02867,65.0);(121.74436,1.2);(139.00673,2.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02162,1.9);(55.01873,4.2);(62.93475,1.2);(65.03869,20.0);(67.0536,7.8);(77.03899,100.0);(91.0519,1.7);(93.03367,28.7);(95.04943,39.6);(121.0292,44.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (39.02299,78.0);(65.04089,56.8);(93.03852,100.0);(104.25795,10.8);(127.66125,7.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (30.63761,1.1);(65.04961,7.1);(93.034,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02265,37.0);(44.99705,19.5);(51.02317,72.0);(65.03865,100.0);(65.78298,2.3);(74.01286,7.6);(75.02353,13.1);(77.03854,91.1) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.17118,1.2);(65.03907,5.1);(67.05269,4.0);(77.03862,34.5);(81.06978,1.8);(93.0332,11.8);(95.04953,100.0);(97.06621,1.6);(111.04255,3.2);(121.0289,62.0);(139.03878,32.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02307,13.5);(41.03804,21.0);(51.022,97.3);(55.0191,3.3);(56.96381,21.2);(57.66795,1.4);(65.03847,100.0);(66.0646,2.3);(77.03797,46.7);(94.03974,4.5);(121.02624,10.2) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02181,1.1);(51.02181,3.7);(56.96458,10.4);(77.03852,32.2);(93.03249,6.2);(95.04934,100.0);(121.02854,50.3);(139.03897,21.3) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0345,75.17);(137.0243,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (55.01677,7.2);(63.02201,1.5);(65.03894,100.0);(91.01922,21.4);(93.03411,99.2);(93.53842,1.6);(94.33002,1.9);(108.01934,21.5);(136.01742,6.1) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (67.054,7.85);(77.0384,41.56);(93.0335,1.21);(95.0489,100.0);(105.0444,8.01);(111.0444,3.19);(121.0378,6.58) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.039,4.18);(95.0488,100.0);(110.0464,1.44);(111.0405,1.44);(121.0279,7.3);(139.0381,72.21) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (53.03959,3.9);(65.0381,3.0);(81.03572,1.5);(91.01785,1.6);(92.02575,6.3);(93.03419,100.0);(108.02141,9.7);(109.031,1.4);(136.0155,14.0);(137.02379,17.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (50.015,6.42);(66.0332,3.91);(77.0383,100.0);(79.0541,3.49);(82.0374,4.6);(95.049,48.12);(105.0443,13.39);(121.0293,5.86) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0346,100.0);(137.0244,16.58) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.0397,7.13);(93.0346,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (65.0397,2.73);(93.0346,100.0);(137.0244,1.32) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (82.04046,1.3);(93.03413,100.0);(107.01078,1.3);(137.02432,73.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0346,100.0);(137.0244,6.77) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.03425,100.0);(137.02331,15.8) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (41.03912516,0.0005320948);(43.01838972,0.0054165471);(44.99765427,0.0102858357);(51.0234751,0.0105567188);(53.03912516,0.0018438603);(55.01838972,0.1230870596);(65.03912516,0.0179531796);(67.01838972,0.0649956587);(69.03403978,0.0109549108);(71.01330434,0.0178023259);(79.01838972,0.1628150777);(85.0289544,0.043040659);(91.01838972,0.1088983097);(92.99765427,0.0675066701);(95.01330434,0.0577922252);(95.04968984,2.643646408);(97.0289544,0.0850247274);(109.0289544,0.3377913309);(111.008219,0.1423719192);(113.023869,0.0465503066);(121.0289544,44.98831816);(139.0395191,51.05281602) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03912516,0.0014693496);(43.01838972,0.0755343825);(44.99765427,0.0296306579);(51.0234751,0.4814850941);(53.03912516,0.1071839506);(55.01838972,0.0887655784);(65.03912516,0.4149928404);(67.01838972,0.2757685828);(69.03403978,0.1347897384);(71.01330434,0.0772909298);(79.01838972,0.9549810024);(85.0289544,0.0381615219);(91.01838972,1.032741896);(92.99765427,0.4890177871);(95.01330434,0.1654939913);(95.04968984,7.070633721);(97.0289544,0.9828815238);(109.0289544,1.109499212);(111.008219,0.1175062278);(113.023869,0.082962098);(121.0289544,62.23703611);(139.0395191,24.0321738) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,0.2091267012);(43.01838972,0.7869546442);(44.99765427,0.1699186043);(51.0234751,3.72104295);(53.03912516,1.059615519);(55.01838972,5.218954491);(65.03912516,9.209070693);(67.01838972,5.018209913);(69.03403978,0.5457295665);(71.01330434,0.3679719691);(79.01838972,14.70036551);(85.0289544,0.2663055933);(91.01838972,15.54300602);(92.99765427,1.633610096);(95.01330434,2.824268935);(95.04968984,5.333244617);(97.0289544,0.5185234778);(109.0289544,2.148036297);(111.008219,0.3861002117);(113.023869,0.1827514128);(121.0289544,28.73939861);(139.0395191,1.417794168) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (25.00782503,0.0000189547);(39.0234751,0.0030221837);(41.00273965,0.0611832828);(44.99765427,0.000010231);(49.00782503,0.0085462875);(51.0234751,0.0146655101);(59.01330434,0.0300189697);(63.0234751,0.0209300063);(65.00273965,0.0167320439);(67.01838972,0.023781716);(68.99765427,0.0099162781);(77.00273965,0.008490027);(83.01330434,0.0288525597);(89.00273965,0.0018591383);(93.03403978,27.47708508);(95.01330434,0.0305892333);(107.0133043,0.1257517201);(108.9925689,0.0497816303);(111.008219,0.1833849226);(119.0133043,5.40482118);(137.023869,66.50055905) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (25.00782503,0.0023910558);(39.0234751,0.0423105077);(41.00273965,0.059674418);(44.99765427,0.0004549874);(49.00782503,0.1916340226);(51.0234751,0.4226862408);(59.01330434,0.0098435399);(63.0234751,0.4650266112);(65.00273965,0.1476648901);(67.01838972,0.3694609897);(68.99765427,0.054661253);(77.00273965,0.1026082813);(83.01330434,0.0951299841);(89.00273965,0.0180892337);(93.03403978,54.73109004);(95.01330434,0.27376876);(107.0133043,0.2678510909);(108.9925689,0.2697702249);(111.008219,0.3229814564);(119.0133043,7.813931027);(137.023869,34.33897139) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00782503,0.2619707419);(39.0234751,1.465830417);(41.00273965,2.093542738);(44.99765427,0.2377399065);(49.00782503,4.025732019);(51.0234751,2.274495973);(59.01330434,0.2580485819);(63.0234751,5.833502907);(65.00273965,1.971318314);(67.01838972,12.10172342);(68.99765427,3.563769739);(77.00273965,5.547407249);(83.01330434,0.4653944513);(89.00273965,0.5687264471);(93.03403978,42.29654882);(95.01330434,0.9102550684);(107.0133043,1.554833569);(108.9925689,0.1619066831);(111.008219,0.4785161487);(119.0133043,7.860631933);(137.023869,6.068104879) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(137.02442,24.49);(137.02442,24.49);(137.02442,24.49) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,38.02);(63.02402,12.04);(65.03967,22.88);(67.01894,18.67);(67.01894,18.67);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (95.04914,92.66);(95.04914,92.66);(95.04914,92.66);(95.04914,92.66);(121.02841,54.49);(121.02841,54.49);(121.02841,54.49);(139.03897,100.0);(139.03897,100.0);(139.03897,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (65.03858,11.13);(93.03349,100.0);(93.03349,100.0);(93.03349,100.0);(93.03349,100.0);(95.04914,51.12);(95.04914,51.12);(95.04914,51.12);(95.04914,51.12);(111.04406,10.42);(121.02841,96.62);(121.02841,96.62);(121.02841,96.62);(139.03897,18.8);(139.03897,18.8);(139.03897,18.8) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,9.77);(51.02293,29.58);(63.02293,16.82);(65.03858,100.0);(67.01784,13.19);(67.01784,13.19);(93.03349,84.44);(93.03349,84.44);(93.03349,84.44);(93.03349,84.44);(95.04914,19.23);(95.04914,19.23);(95.04914,19.23);(95.04914,19.23);(121.02841,22.14);(121.02841,22.14);(121.02841,22.14) |
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