| 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 | (83.0,0.003003003);(85.0,0.0540540541);(86.0,0.008008008);(87.0,0.011011011);(88.0,0.004004004);(89.0,0.01001001);(90.0,0.004004004);(91.0,0.023023023);(92.0,0.001001001);(94.0,0.002002002);(98.0,0.005005005);(99.0,0.043043043);(100.0,0.006006006);(101.0,0.037037037);(102.0,0.2532532533);(103.0,0.953953954);(104.0,0.1061061061);(109.0,0.002002002);(112.0,0.001001001);(113.0,0.001001001);(114.0,0.001001001);(115.0,0.012012012);(116.0,0.003003003);(117.0,0.003003003);(118.0,0.004004004);(119.0,0.002002002);(121.0,0.006006006);(122.0,0.002002002);(123.0,0.001001001);(129.0,0.013013013);(130.0,0.003003003);(131.0,1.0);(132.0,0.1731731732);(133.0,0.027027027);(134.0,0.013013013);(135.0,0.2462462462);(136.0,0.0650650651);(137.0,0.025025025);(138.0,0.002002002);(142.0,0.02002002);(143.0,0.025025025);(144.0,0.006006006);(145.0,0.4034034034);(146.0,0.1201201201);(147.0,0.045045045);(148.0,0.0610610611);(149.0,0.01001001);(150.0,0.003003003);(151.0,0.002002002);(152.0,0.002002002);(153.0,0.005005005);(154.0,0.002002002);(155.0,0.003003003);(156.0,0.002002002);(157.0,0.001001001);(158.0,0.001001001);(160.0,0.004004004);(161.0,0.1121121121);(162.0,0.1131131131);(163.0,0.0860860861);(164.0,0.009009009);(165.0,0.001001001);(175.0,0.004004004);(176.0,0.023023023);(177.0,0.008008008);(178.0,0.003003003);(179.0,0.001001001);(180.0,0.001001001);(181.0,0.002002002);(184.0,0.001001001);(185.0,0.002002002);(186.0,0.002002002);(187.0,0.001001001);(188.0,0.002002002);(189.0,0.002002002);(190.0,0.001001001);(191.0,0.001001001);(192.0,0.013013013);(193.0,0.006006006);(194.0,0.003003003);(195.0,0.002002002);(206.0,0.1021021021);(207.0,0.0740740741);(208.0,0.012012012);(209.0,0.001001001);(218.0,0.001001001);(219.0,0.0520520521);(220.0,0.3353353353);(221.0,0.0750750751);(222.0,0.021021021);(223.0,0.003003003) | | GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.045045045);(61.0,0.0920920921);(62.0,0.0500500501);(63.0,0.1191191191);(64.0,0.013013013);(65.0,0.018018018);(66.0,0.007007007);(67.0,0.007007007);(69.0,0.002002002);(70.0,0.006006006);(71.0,0.007007007);(72.0,0.029029029);(73.0,0.2482482482);(74.0,0.1721721722);(75.0,0.6956956957);(76.0,0.2712712713);(77.0,1.0);(78.0,0.0850850851);(79.0,0.044044044);(80.0,0.003003003);(81.0,0.005005005);(83.0,0.005005005);(84.0,0.004004004);(85.0,0.031031031);(86.0,0.009009009);(87.0,0.013013013);(88.0,0.004004004);(89.0,0.019019019);(90.0,0.009009009);(91.0,0.031031031);(92.0,0.006006006);(93.0,0.006006006);(94.0,0.002002002);(95.0,0.002002002);(96.0,0.001001001);(97.0,0.001001001);(98.0,0.011011011);(99.0,0.034034034);(100.0,0.005005005);(101.0,0.042042042);(102.0,0.4594594595);(103.0,0.9129129129);(104.0,0.0880880881);(105.0,0.02002002);(106.0,0.002002002);(107.0,0.004004004);(108.0,0.001001001);(109.0,0.002002002);(111.0,0.001001001);(113.0,0.001001001);(114.0,0.001001001);(115.0,0.027027027);(116.0,0.009009009);(117.0,0.013013013);(118.0,0.009009009);(119.0,0.006006006);(120.0,0.002002002);(121.0,0.007007007);(122.0,0.001001001);(123.0,0.001001001);(127.0,0.002002002);(128.0,0.006006006);(129.0,0.029029029);(130.0,0.029029029);(131.0,0.7907907908);(132.0,0.0830830831);(133.0,0.044044044);(134.0,0.007007007);(135.0,0.1971971972);(136.0,0.028028028);(137.0,0.009009009);(138.0,0.001001001);(141.0,0.001001001);(142.0,0.01001001);(143.0,0.015015015);(144.0,0.005005005);(145.0,0.3403403403);(146.0,0.0590590591);(147.0,0.028028028);(148.0,0.036036036);(149.0,0.006006006);(150.0,0.002002002);(151.0,0.001001001);(152.0,0.001001001);(153.0,0.001001001);(154.0,0.001001001);(155.0,0.001001001);(156.0,0.001001001);(157.0,0.001001001);(158.0,0.001001001);(159.0,0.0530530531);(160.0,0.012012012);(161.0,0.5975975976);(162.0,0.0970970971);(163.0,0.027027027);(164.0,0.003003003);(175.0,0.001001001);(176.0,0.017017017);(177.0,0.004004004);(178.0,0.001001001);(179.0,0.001001001);(180.0,0.001001001);(182.0,0.001001001);(185.0,0.001001001);(186.0,0.001001001);(187.0,0.001001001);(188.0,0.001001001);(189.0,0.002002002);(190.0,0.001001001);(191.0,0.001001001);(192.0,0.017017017);(193.0,0.004004004);(194.0,0.001001001);(201.0,0.001001001);(203.0,0.002002002);(204.0,0.003003003);(205.0,0.6016016016);(206.0,0.1071071071);(207.0,0.031031031);(208.0,0.004004004);(219.0,0.02002002);(220.0,0.1661661662);(221.0,0.032032032);(222.0,0.008008008);(223.0,0.001001001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.009);(71.0,0.016);(72.0,0.03);(76.0,0.221);(77.0,0.869);(78.0,0.066);(81.0,0.007);(84.0,0.003);(85.0,0.042);(86.0,0.007);(87.0,0.013);(88.0,0.003);(89.0,0.019);(90.0,0.007);(91.0,0.027);(92.0,0.003);(93.0,0.005);(94.0,0.004);(95.0,0.002);(98.0,0.007);(99.0,0.042);(100.0,0.003);(101.0,0.034);(102.0,0.38);(103.0,0.977);(104.0,0.09);(105.0,0.015);(106.0,0.001);(107.0,0.005);(113.0,0.001);(114.0,0.002);(115.0,0.024);(116.0,0.009);(117.0,0.012);(118.0,0.007);(119.0,0.006);(120.0,0.003);(121.0,0.008);(122.0,0.001);(127.0,0.003);(128.0,0.007);(129.0,0.03);(130.0,0.021);(131.0,1.0);(132.0,0.104);(133.0,0.051);(134.0,0.009);(135.0,0.261);(136.0,0.034);(137.0,0.011);(141.0,0.002);(142.0,0.011);(143.0,0.014);(144.0,0.004);(145.0,0.412);(146.0,0.062);(150.0,0.002);(151.0,0.002);(152.0,0.002);(153.0,0.001);(155.0,0.002);(156.0,0.002);(157.0,0.002);(158.0,0.001);(159.0,0.067);(160.0,0.014);(161.0,0.78);(162.0,0.133);(163.0,0.036);(164.0,0.004);(173.0,0.002);(175.0,0.003);(176.0,0.022);(177.0,0.005);(178.0,0.003);(179.0,0.002);(181.0,0.002);(185.0,0.002);(186.0,0.002);(187.0,0.001);(188.0,0.004);(192.0,0.02);(193.0,0.004);(194.0,0.001);(201.0,0.002);(203.0,0.003);(204.0,0.003);(205.0,0.842);(206.0,0.154);(207.0,0.041);(208.0,0.006);(209.0,0.003);(211.0,0.002);(219.0,0.03);(220.0,0.266);(221.0,0.049);(222.0,0.012);(223.0,0.002);(233.0,0.003);(292.0,0.002) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (83.0,0.3003);(85.0,5.405405);(86.0,0.800801);(87.0,1.101101);(88.0,0.4004);(89.0,1.001001);(90.0,0.4004);(91.0,2.302302);(92.0,0.1001);(94.0,0.2002);(98.0,0.500501);(99.0,4.304304);(100.0,0.600601);(101.0,3.703704);(102.0,25.325325);(103.0,95.395395);(104.0,10.610611);(109.0,0.2002);(112.0,0.1001);(113.0,0.1001);(114.0,0.1001);(115.0,1.201201);(116.0,0.3003);(117.0,0.3003);(118.0,0.4004);(119.0,0.2002);(121.0,0.600601);(122.0,0.2002);(123.0,0.1001);(129.0,1.301301);(130.0,0.3003);(131.0,100.0);(132.0,17.317317);(133.0,2.702703);(134.0,1.301301);(135.0,24.624625);(136.0,6.506507);(137.0,2.502503);(138.0,0.2002);(142.0,2.002002);(143.0,2.502503);(144.0,0.600601);(145.0,40.34034);(146.0,12.012012);(147.0,4.504505);(148.0,6.106106);(149.0,1.001001);(150.0,0.3003);(151.0,0.2002);(152.0,0.2002);(153.0,0.500501);(154.0,0.2002);(155.0,0.3003);(156.0,0.2002);(157.0,0.1001);(158.0,0.1001);(160.0,0.4004);(161.0,11.211211);(162.0,11.311311);(163.0,8.608609);(164.0,0.900901);(165.0,0.1001);(175.0,0.4004);(176.0,2.302302);(177.0,0.800801);(178.0,0.3003);(179.0,0.1001);(180.0,0.1001);(181.0,0.2002);(184.0,0.1001);(185.0,0.2002);(186.0,0.2002);(187.0,0.1001);(188.0,0.2002);(189.0,0.2002);(190.0,0.1001);(191.0,0.1001);(192.0,1.301301);(193.0,0.600601);(194.0,0.3003);(195.0,0.2002);(206.0,10.21021);(207.0,7.407407);(208.0,1.201201);(209.0,0.1001);(218.0,0.1001);(219.0,5.205205);(220.0,33.533534);(221.0,7.507508);(222.0,2.102102);(223.0,0.3003) | | GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,4.504505);(61.0,9.209209);(62.0,5.005005);(63.0,11.911912);(64.0,1.301301);(65.0,1.801802);(66.0,0.700701);(67.0,0.700701);(69.0,0.2002);(70.0,0.600601);(71.0,0.700701);(72.0,2.902903);(73.0,24.824825);(74.0,17.217217);(75.0,69.56957);(76.0,27.127127);(77.0,100.0);(78.0,8.508509);(79.0,4.404404);(80.0,0.3003);(81.0,0.500501);(83.0,0.500501);(84.0,0.4004);(85.0,3.103103);(86.0,0.900901);(87.0,1.301301);(88.0,0.4004);(89.0,1.901902);(90.0,0.900901);(91.0,3.103103);(92.0,0.600601);(93.0,0.600601);(94.0,0.2002);(95.0,0.2002);(96.0,0.1001);(97.0,0.1001);(98.0,1.101101);(99.0,3.403403);(100.0,0.500501);(101.0,4.204204);(102.0,45.945946);(103.0,91.291291);(104.0,8.808809);(105.0,2.002002);(106.0,0.2002);(107.0,0.4004);(108.0,0.1001);(109.0,0.2002);(111.0,0.1001);(113.0,0.1001);(114.0,0.1001);(115.0,2.702703);(116.0,0.900901);(117.0,1.301301);(118.0,0.900901);(119.0,0.600601);(120.0,0.2002);(121.0,0.700701);(122.0,0.1001);(123.0,0.1001);(127.0,0.2002);(128.0,0.600601);(129.0,2.902903);(130.0,2.902903);(131.0,79.079079);(132.0,8.308308);(133.0,4.404404);(134.0,0.700701);(135.0,19.71972);(136.0,2.802803);(137.0,0.900901);(138.0,0.1001);(141.0,0.1001);(142.0,1.001001);(143.0,1.501502);(144.0,0.500501);(145.0,34.034034);(146.0,5.905906);(147.0,2.802803);(148.0,3.603604);(149.0,0.600601);(150.0,0.2002);(151.0,0.1001);(152.0,0.1001);(153.0,0.1001);(154.0,0.1001);(155.0,0.1001);(156.0,0.1001);(157.0,0.1001);(158.0,0.1001);(159.0,5.305305);(160.0,1.201201);(161.0,59.75976);(162.0,9.70971);(163.0,2.702703);(164.0,0.3003);(175.0,0.1001);(176.0,1.701702);(177.0,0.4004);(178.0,0.1001);(179.0,0.1001);(180.0,0.1001);(182.0,0.1001);(185.0,0.1001);(186.0,0.1001);(187.0,0.1001);(188.0,0.1001);(189.0,0.2002);(190.0,0.1001);(191.0,0.1001);(192.0,1.701702);(193.0,0.4004);(194.0,0.1001);(201.0,0.1001);(203.0,0.2002);(204.0,0.3003);(205.0,60.16016);(206.0,10.710711);(207.0,3.103103);(208.0,0.4004);(219.0,2.002002);(220.0,16.616617);(221.0,3.203203);(222.0,0.800801);(223.0,0.1001) | | GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.009);(71.0,0.016);(72.0,0.03);(76.0,0.221);(77.0,0.869);(78.0,0.066);(81.0,0.007);(84.0,0.003);(85.0,0.042);(86.0,0.007);(87.0,0.013);(88.0,0.003);(89.0,0.019);(90.0,0.007);(91.0,0.027);(92.0,0.003);(93.0,0.005);(94.0,0.004);(95.0,0.002);(98.0,0.007);(99.0,0.042);(100.0,0.003);(101.0,0.034);(102.0,0.38);(103.0,0.977);(104.0,0.09);(105.0,0.015);(106.0,0.001);(107.0,0.005);(113.0,0.001);(114.0,0.002);(115.0,0.024);(116.0,0.009);(117.0,0.012);(118.0,0.007);(119.0,0.006);(120.0,0.003);(121.0,0.008);(122.0,0.001);(127.0,0.003);(128.0,0.007);(129.0,0.03);(130.0,0.021);(131.0,1.0);(132.0,0.104);(133.0,0.051);(134.0,0.009);(135.0,0.261);(136.0,0.034);(137.0,0.011);(141.0,0.002);(142.0,0.011);(143.0,0.014);(144.0,0.004);(145.0,0.412);(146.0,0.062);(150.0,0.002);(151.0,0.002);(152.0,0.002);(153.0,0.001);(155.0,0.002);(156.0,0.002);(157.0,0.002);(158.0,0.001);(159.0,0.067);(160.0,0.014);(161.0,0.78);(162.0,0.133);(163.0,0.036);(164.0,0.004);(173.0,0.002);(175.0,0.003);(176.0,0.022);(177.0,0.005);(178.0,0.003);(179.0,0.002);(181.0,0.002);(185.0,0.002);(186.0,0.002);(187.0,0.001);(188.0,0.004);(192.0,0.02);(193.0,0.004);(194.0,0.001);(201.0,0.002);(203.0,0.003);(204.0,0.003);(205.0,0.842);(206.0,0.154);(207.0,0.041);(208.0,0.006);(209.0,0.003);(211.0,0.002);(219.0,0.03);(220.0,0.266);(221.0,0.049);(222.0,0.012);(223.0,0.002);(233.0,0.003);(292.0,0.002) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.484824258);(29.00219012,1.407711219);(39.02292522,1.404894513);(43.98927962,1.915076863);(44.99710422,3.990319413);(49.00727602,2.1806441);(63.02292522,1.523894718);(65.03857442,1.344060017);(71.01275342,1.130885687);(73.00727602,1.162164859);(78.04639902,1.458806369);(94.00492882,1.331796026);(100.0307498,3.355281123);(101.0385744,4.896290112);(102.046399,11.21132182);(103.0542236,6.054879812);(104.0620482,8.493598965);(108.020578,1.162052092);(109.0284026,1.628166047);(118.0049288,1.228541288);(119.0127534,1.557553749);(120.020578,1.806344542);(121.0284026,1.154566651);(122.0362272,1.029714223);(130.0413131,8.069063685);(131.0491377,7.339144779);(132.020578,1.929154181);(133.0284026,3.079998388);(147.0440518,2.743767944);(148.0518764,11.72171796);(149.0552723,1.203764603) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.01550142,1.522924268);(59.03115062,1.713287255);(71.03115062,1.491550367);(72.03897522,0.9761340927);(73.04679982,12.18722374);(74.04796012,1.042814867);(74.05462442,1.736189498);(75.02606472,2.699840959);(75.06244902,1.32015341);(89.04171392,3.088871937);(90.04953852,1.168916351);(91.05736312,0.8891616073);(101.0385744,1.891612171);(102.046399,2.157221707);(103.0542236,6.536964509);(104.0620482,2.021441587);(105.0698728,1.740435203);(117.036628,1.076323922);(130.0413131,0.911618326);(131.0491377,10.01920158);(132.0525263,1.023664941);(146.0362272,0.8637873059);(147.0440518,2.741770461);(148.0518764,1.905887367);(149.059701,1.781496873);(203.0886615,1.071281896);(204.0601018,1.306640413);(205.0679264,5.237892341);(206.0702311,0.9243175922);(219.0835756,1.008498279);(220.0914002,2.182786756) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (39.02292522,1.054823539);(43.98927962,1.437878884);(44.99710422,2.996013444);(49.00727602,0.8360110952);(63.02292522,1.144715889);(65.03857442,1.009540916);(71.01275342,0.849092108);(78.04639902,1.095301664);(94.00492882,0.9999397001);(100.0307498,3.252395054);(101.0385744,5.80005617);(102.046399,9.240601993);(103.0497835,0.8358260181);(103.0542236,7.91870885);(104.0620482,6.059284106);(107.0127534,0.7448785045);(108.020578,0.8724924824);(109.0284026,1.222071607);(118.0049288,0.9224139309);(119.0127534,1.169443217);(120.020578,1.356240434);(121.0284026,0.86687226);(122.0362272,0.7731305027);(130.0413131,5.81549301);(131.0491377,2.862924927);(132.020578,1.448448423);(133.0284026,2.312131411);(146.0362272,2.023347748);(147.0440518,1.213898831);(148.0518764,8.753358799);(149.0552723,0.8989282562) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.07232433);(56.06204822,0.7443325707);(57.06987282,2.21369483);(59.03115062,2.069004897);(59.08552202,0.7859570363);(75.02606472,2.651520785);(77.04171392,1.261672676);(102.046399,1.002841706);(103.0542236,3.021954931);(104.0620482,1.259386097);(105.0698728,1.432105647);(115.0937474,1.135502312);(117.0730123,1.139789729);(131.0491377,7.933184096);(131.0886615,0.9371764428);(132.0525263,0.810535886);(133.0647869,1.353277663);(147.0440518,2.899653879);(148.0518764,1.798284315);(149.059701,2.534684121);(191.0522772,1.135962657);(204.0601018,1.109602327);(205.0679264,28.28476424);(206.0702311,4.991340691);(206.075751,2.14424977);(207.0675262,1.450795444);(207.0835756,1.319783002);(247.114874,1.799592608) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (102.0,13.252);(130.0,100.0);(131.0,28.893);(148.0,11.653) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (76.0,77.433);(77.0,26.453);(78.0,9.302);(102.0,100.0);(103.0,40.513);(130.0,9.358) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (101.0,22.631);(102.0,100.0);(103.0,43.459);(130.0,11.053) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (59.0,0.001001001);(84.8,0.001001001);(86.9,0.002002002);(100.9,0.001001001);(103.2,0.0940940941);(119.1,0.001001001);(129.1,0.001001001);(145.5,0.001001001);(146.5,0.043043043);(147.0,1.0);(165.2,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (56.8,0.001001001);(58.7,0.001001001);(70.6,0.001001001);(72.7,0.001001001);(77.2,0.01001001);(85.2,0.012012012);(87.3,0.018018018);(89.1,0.001001001);(100.7,0.002002002);(101.7,0.001001001);(103.0,1.0);(119.2,0.001001001);(129.0,0.003003003);(147.0,0.1301301301) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (40.8,0.005005005);(42.9,0.008008008);(57.4,0.027027027);(58.8,0.018018018);(77.0,1.0);(84.9,0.0550550551);(87.3,0.0980980981);(88.6,0.004004004);(101.4,0.025025025);(103.0,0.9099099099);(119.3,0.004004004);(146.8,0.005005005) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (41.3,0.014014014);(56.8,0.031031031);(58.7,0.012012012);(77.2,1.0);(101.1,0.047047047);(102.8,0.047047047) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Negative | Not Available | View Spectrum | (40.7,0.048048048);(57.4,0.0710710711);(76.9,1.0);(100.8,0.2382382382) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (131.0512,0.1011011011);(149.0074,0.1031031031);(149.0555,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Negative | Not Available | View Spectrum | (102.9346,0.1861861862);(103.0548,1.0);(145.888,0.1081081081);(146.8973,0.5665665666);(147.0446,0.6306306306) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (59.0,0.029512);(84.8,0.025085);(86.9,0.224288);(100.9,0.023609);(103.2,9.374354);(119.1,0.01328);(129.1,0.056072);(145.5,0.010329);(146.5,4.344105);(147.0,100.0);(165.2,0.02656) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (56.8,0.076628);(58.7,0.120416);(70.6,0.032841);(72.7,0.021894);(77.2,1.050903);(85.2,1.20416);(87.3,1.756979);(89.1,0.082102);(100.7,0.207991);(101.7,0.038314);(103.0,100.0);(119.2,0.087575);(129.0,0.295567);(147.0,12.993979) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (40.8,0.454959);(42.9,0.818926);(57.4,2.729754);(58.8,1.819836);(77.0,100.0);(84.9,5.459509);(87.3,9.827116);(88.6,0.363967);(101.4,2.547771);(103.0,90.991811);(119.3,0.363967);(146.8,0.545951) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (41.3,1.369863);(56.8,3.131115);(58.7,1.174168);(77.2,100.0);(101.1,4.696673);(102.8,4.696673) | | LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (40.7,4.761905);(57.4,7.142857);(76.9,100.0);(100.8,23.809524) | | LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (102.9346,15.17);(103.0548,81.54);(145.888,8.815);(146.8973,46.19);(147.0446,51.43) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (102.946485,100.0);(146.955318,0.674143) | | LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (102.944645,100.0);(146.948351,0.678434) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (131.0512,8.178);(149.0074,8.39);(149.0555,81.15) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (44.98745,1.3);(60.9748,1.5);(73.0356,2.9);(77.02815,28.5);(79.04426,2.2);(91.9217,1.4);(103.04293,100.0);(107.03618,1.2);(131.03724,17.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (51.01334,26.9);(60.97613,2.4);(76.01913,1.6);(77.02801,100.0);(91.04076,1.1);(102.03526,1.9);(103.04281,12.5) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (90.49983,3.4);(103.04959,4.9);(111.02493,2.4);(131.04851,100.0);(132.05022,7.2);(149.06117,14.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.05873,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.03913,1.7);(51.02326,22.5);(52.02754,2.0);(67.05481,1.1);(77.03953,100.0);(102.04585,1.3);(105.04566,3.7) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.04001,100.0);(77.77901,6.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (51.01315,1.4);(73.05473,2.3);(77.02747,2.7);(93.00099,3.0);(103.04339,35.3);(117.04063,1.1);(120.99784,1.1);(131.03742,100.0);(149.04534,1.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.01746,3.5);(45.03203,1.2);(51.02351,1.7);(65.03993,8.5);(68.96355,1.3);(72.98634,3.9);(77.03916,70.2);(88.04062,2.5);(91.05592,3.0);(92.04715,1.5);(103.05552,10.3);(105.03421,100.0);(131.04984,2.3);(134.05409,1.5);(149.05959,11.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.0192,1.2);(45.03416,1.5);(51.02233,1.8);(55.05377,2.6);(56.96564,2.2);(59.04856,3.0);(65.03889,1.5);(71.94079,1.7);(73.06563,4.9);(77.03919,8.4);(93.03327,2.4);(103.05568,3.4);(105.03438,87.9);(116.97773,3.1);(131.05005,11.1);(149.061,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.03804,5.0);(103.05658,14.6);(131.05098,100.0);(132.04868,5.5);(133.05,5.0);(149.0656,5.2) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.03301,9.4);(103.05534,65.9);(117.96388,6.7);(131.04857,100.0);(132.04404,8.2);(134.86098,7.1);(149.01897,10.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (79.0535,3.22);(95.0486,1.74);(103.0538,100.0);(104.0572,7.43);(131.049,14.65);(132.0527,1.27) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.054,15.06);(104.0573,1.22);(131.0492,100.0);(132.0523,9.04);(149.0591,11.99) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (79.0534,10.75);(81.0327,1.87);(95.0486,100.0);(102.046,8.59);(103.0538,81.39);(104.0574,6.48);(105.0445,37.77) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.05121,2.4);(103.06219,3.1);(131.05023,100.0);(132.05261,5.9);(149.056,8.9) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.03838,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.0434,1.7);(103.05058,3.5);(128.56119,1.5);(131.04831,100.0);(132.05208,12.1);(133.05075,1.8);(147.04352,1.8);(149.05988,12.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.05038,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.04227,4.2);(82.52067,3.5);(103.05486,16.7);(131.05098,100.0);(132.04657,4.2);(132.5722,5.6);(149.05653,5.2) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.0395,58.79);(85.0288,3.3);(103.0558,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (53.43744,1.6);(57.99717,2.0);(77.03855,3.0);(103.05373,100.0);(103.88346,2.7);(106.52943,1.1);(109.08723,2.4);(130.94174,1.2);(146.97049,8.1) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (47.6242,1.2);(71.31585,5.1);(77.04051,100.0);(88.67902,4.0);(94.38384,8.1);(103.05303,64.5) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (147.0453,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.96957,1.5);(51.02287,35.1);(53.00186,2.4);(56.96361,1.8);(75.02253,1.6);(77.0386,100.0);(79.05293,2.0);(103.05356,15.3) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.04012,4.6);(103.05594,100.0);(147.04496,11.9) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (93.0353,1.15);(103.0555,97.03);(119.0502,1.01);(147.0457,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.03266,3.03);(77.04005,12.14);(101.03229,2.6);(103.05114,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (77.04005,100.0);(103.05569,66.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.03853,1.4);(84.96053,3.8);(103.05447,40.1);(131.04942,100.0);(149.05909,5.4) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (30.98925,88.0);(38.35628,6.9);(41.38194,12.8);(43.14042,39.0);(47.99516,100.0);(73.03074,21.3);(77.0377,77.3);(82.60403,8.7);(89.84118,20.0);(124.29524,3.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.96945,1.3);(44.99766,1.3);(73.04458,4.1);(77.03888,21.7);(79.05337,5.9);(84.96003,2.8);(102.0465,2.8);(103.05451,100.0);(105.06872,1.9);(131.04928,15.3) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.96983,1.5);(44.04936,2.4);(59.04954,6.5);(62.93438,1.2);(69.06996,1.6);(73.06474,9.8);(75.00173,3.2);(77.03725,2.4);(84.95988,100.0);(88.95196,2.2);(90.99279,5.4);(92.06035,1.9);(93.01245,7.7);(101.94264,1.1);(103.0543,20.0);(105.0462,1.1);(107.08672,2.0);(116.98134,6.9);(121.00453,3.4);(130.03137,1.2);(131.04964,50.8);(149.02402,5.8) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (93.0353,1.1);(103.0555,97.0);(119.0502,1.0);(147.0457,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (40.96975,18.6);(44.05071,2.6);(45.03362,4.3);(55.05252,1.4);(55.93502,1.7);(59.02985,2.4);(59.93024,1.3);(60.98624,3.0);(62.98103,2.3);(65.03832,4.4);(67.05463,1.3);(73.04471,13.4);(75.00154,3.2);(77.03863,21.3);(79.05458,4.2);(84.95968,100.0);(91.05515,2.0);(93.0458,2.0);(103.05446,72.4);(104.98204,1.7);(117.05284,2.4);(131.04854,13.9);(149.04279,1.1) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02265,1.5);(40.96972,27.2);(43.03472,4.7);(44.99214,9.2);(51.02259,28.3);(56.96396,1.7);(59.04736,2.5);(59.92934,4.1);(60.98667,10.6);(61.92741,3.3);(62.98171,6.7);(65.03821,2.1);(71.9286,2.0);(73.04495,5.4);(75.00172,1.3);(77.03867,100.0);(84.95894,16.9);(102.04705,3.6);(103.05287,3.8);(116.93219,1.3) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.1968117398);(27.0234751,0.0641167759);(41.03912516,0.1142983886);(44.99765427,0.10616135);(51.0234751,0.1195041955);(53.03912516,0.0949927754);(55.05477522,0.0189833403);(65.03912516,0.0754790436);(67.01838972,0.0371062351);(71.01330434,1.45194855);(77.03912516,0.0155912543);(79.01838972,0.0382681972);(79.05477522,0.6105697226);(81.03403978,0.0148051542);(85.0289544,0.0625771413);(89.03912516,0.0117399693);(95.01330434,0.0853685982);(97.0289544,0.0538572754);(99.04460446,0.0189833403);(103.0183897,0.0191480223);(103.0547752,10.50819209);(105.0340398,0.0337428111);(105.0704253,1.046636898);(109.0289544,0.0546014116);(115.0183897,0.0337309855);(119.0133043,0.03196281);(121.0289544,0.0821863679);(123.0446045,0.088494567);(131.0496898,37.67889875);(133.0289544,0.1406665571);(149.0602545,47.09057568) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (19.01838972,0.12492567);(27.0234751,0.2426165391);(41.03912516,0.1520000414);(44.99765427,0.1168211474);(51.0234751,0.3980162388);(53.03912516,0.201722395);(55.05477522,0.0471763221);(65.03912516,0.2101290101);(67.01838972,0.133138454);(71.01330434,4.470091326);(75.0234751,0.1691487801);(77.03912516,0.4977785397);(79.01838972,0.0923022655);(79.05477522,1.052652907);(85.0289544,0.1562031822);(89.03912516,0.1051914635);(95.01330434,0.1314484647);(97.0289544,0.0661539458);(99.04460446,0.0471763221);(103.0183897,0.1103341077);(103.0547752,36.39953719);(105.0340398,0.3105524956);(105.0704253,3.159758331);(109.0289544,0.1086173154);(115.0183897,0.3901514948);(119.0133043,0.1164060672);(121.0289544,0.4364246464);(123.0446045,0.2925124352);(131.0496898,31.45020615);(133.0289544,0.2940225659);(149.0602545,18.51678419) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (19.01838972,0.2001655556);(27.0234751,4.668017428);(41.03912516,0.5117574796);(44.99765427,1.249398759);(51.0234751,5.780412055);(53.03912516,2.773518947);(55.05477522,0.1974277633);(65.03912516,1.023374477);(67.01838972,0.6543250392);(71.01330434,7.129563957);(75.0234751,2.908824439);(77.03912516,8.648826575);(79.01838972,0.5190565105);(79.05477522,3.448664105);(81.03403978,0.2333872032);(85.0289544,0.1926637624);(89.03912516,2.845499506);(95.01330434,0.2066039105);(99.04460446,0.1974277633);(103.0183897,0.4494272808);(103.0547752,40.61271217);(105.0340398,0.9267803648);(105.0704253,6.275165274);(109.0289544,0.3093604067);(115.0183897,0.5988171284);(119.0133043,0.3932965617);(121.0289544,0.4427044049);(123.0446045,0.523283688);(131.0496898,4.661342695);(133.0289544,0.381579067);(149.0602545,1.036615725) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.0373376847);(25.00782503,0.0010837789);(39.0234751,0.0118063646);(44.99765427,0.1658606601);(49.00782503,0.0081900062);(51.0234751,0.0592938382);(63.0234751,0.0007756148);(65.00273965,0.0002871123);(68.99765427,0.0225231919);(73.00782503,0.0004359005);(75.0234751,0.0040088817);(77.00273965,0.0004304876);(77.03912516,0.1693654349);(79.01838972,0.0006875155);(83.01330434,0.0191424976);(87.0234751,0.0026001558);(89.00273965,0.0000716001);(92.99765427,0.0080910683);(95.01330434,0.0562244643);(101.0027397,0.0000716581);(101.0391252,0.8518322994);(103.0183897,0.0055698717);(103.0547752,13.72850544);(113.0027397,0.0008330555);(116.9976543,0.0058601388);(119.0133043,0.0289621843);(121.0289544,0.1553035802);(129.0340398,3.957823531);(131.0133043,0.0815611781);(147.0446045,80.61546081) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.2343843251);(25.00782503,0.0204987101);(39.0234751,0.0889684117);(44.99765427,1.368834865);(49.00782503,0.0280365782);(51.0234751,0.0911041652);(63.0234751,0.0062489734);(65.00273965,0.0028646713);(68.99765427,0.1011203405);(73.00782503,0.0136542433);(75.0234751,0.0459348776);(77.00273965,0.0020612236);(77.03912516,0.6406726687);(79.01838972,0.0026986646);(83.01330434,0.1195030057);(87.0234751,0.0342480165);(89.00273965,0.0008829117);(92.99765427,0.0271056221);(95.01330434,0.0785740399);(101.0027397,0.0025280984);(101.0391252,3.489706263);(103.0183897,0.0385961536);(103.0547752,28.86467732);(113.0027397,0.0053337271);(116.9976543,0.0736078534);(119.0133043,0.2064393787);(121.0289544,0.3304922969);(129.0340398,7.867664803);(131.0133043,0.2978993607);(147.0446045,55.91565843) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (17.00273965,0.1768085902);(25.00782503,0.199581751);(39.0234751,0.4048864946);(44.99765427,9.917729332);(49.00782503,0.3271628985);(51.0234751,1.207935508);(63.0234751,0.2670521778);(65.00273965,0.2505350047);(68.99765427,1.409715813);(73.00782503,0.604130908);(75.0234751,0.3760332771);(77.00273965,0.1090551415);(77.03912516,7.534947814);(79.01838972,0.371793882);(83.01330434,0.2371812048);(87.0234751,0.784691112);(89.00273965,0.4407575143);(92.99765427,0.1936761368);(95.01330434,0.5394362841);(101.0027397,0.2209533847);(101.0391252,11.23349651);(103.0183897,1.622003214);(103.0547752,22.80340015);(113.0027397,0.5986525386);(116.9976543,0.3205815871);(119.0133043,1.078494716);(121.0289544,1.12390384);(129.0340398,27.88705741);(131.0133043,1.471758932);(147.0446045,6.286586871) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (103.05532,100.0);(103.05532,100.0);(103.05532,100.0);(103.05532,100.0);(147.04515,27.92);(147.04515,27.92);(147.04515,27.92);(147.04515,27.92) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (103.05532,100.0);(103.05532,100.0);(103.05532,100.0);(103.05532,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (77.03967,100.0);(77.03967,100.0);(77.03967,100.0);(103.05532,29.18);(103.05532,29.18);(103.05532,29.18);(103.05532,29.18) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (103.05423,18.14);(103.05423,18.14);(103.05423,18.14);(103.05423,18.14);(131.04914,100.0);(131.04914,100.0);(131.04914,100.0);(131.04914,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (77.03858,9.28);(77.03858,9.28);(103.05423,100.0);(103.05423,100.0);(103.05423,100.0);(103.05423,100.0);(131.04914,39.81);(131.04914,39.81);(131.04914,39.81);(131.04914,39.81) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.02293,8.83);(75.02293,17.9);(75.02293,17.9);(77.03858,100.0);(77.03858,100.0);(101.03858,9.21);(101.03858,9.21);(101.03858,9.21);(101.03858,9.21);(103.05423,83.66);(103.05423,83.66);(103.05423,83.66);(103.05423,83.66) |
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