| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
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| | | | | | |
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| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (29.00219012,0.8424393362);(44.99710422,2.009766347);(58.00492882,1.303532952);(59.01275342,5.458432205);(60.02057802,1.829185231);(87.00766752,1.105260828);(88.01549212,0.9108906388);(89.02331672,2.764320154);(90.03114132,1.307993204);(103.0025816,0.9423909283);(107.0491377,1.266420561);(117.0182308,1.404914178);(134.0209695,1.184815891);(239.0702643,0.9779421465);(241.0859135,1.017343861);(242.0937381,1.831694299);(270.0886522,0.9284674247);(283.0964768,1.398185811);(284.1043014,1.277942931);(298.0835663,1.009010193);(299.0913909,1.420542212);(300.0992155,0.9677704626);(312.0992155,0.8501877427);(313.1070401,1.330890049);(314.1148647,0.9638777195);(328.0941296,0.9212593322);(329.1019542,1.570077926);(330.1097788,1.099187024);(373.1281667,1.18366846);(400.1152562,2.190606148);(401.1230808,2.182232544) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (44.99710422,1.600253323);(73.04679982,3.053583373);(89.04171392,1.065600829);(107.0491377,1.329175255);(175.0421054,0.8392730087);(203.091801,2.426021444);(204.0996256,1.543481973);(239.0702643,0.8297667726);(240.0780889,0.738788963);(241.0859135,1.199329162);(242.0937381,1.866961636);(243.1015627,0.834048048);(305.1418881,1.271743869);(306.1497127,1.547153367);(355.1360006,1.095055561);(356.1438252,0.7876562545);(372.1387393,0.7389465893);(457.1860877,1.003486904);(458.1939123,0.7948820543);(473.1810018,1.113361156);(474.1888264,1.236287947);(544.1943038,0.7273264336);(545.2021284,1.928286084);(546.2045987,0.7945587232);(560.2439994,0.8195245616);(561.1970425,0.9183755697);(562.2048671,0.6891978178);(589.2467381,1.068461588);(619.2209171,7.890261196);(620.2231343,3.837440636);(621.2221046,1.829027853) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (29.00219012,0.8424393362);(44.99710422,2.009766347);(58.00492882,1.303532952);(59.01275342,5.458432205);(60.02057802,1.829185231);(87.00766752,1.105260828);(88.01549212,0.9108906388);(89.02331672,2.764320154);(90.03114132,1.307993204);(103.0025816,0.9423909283);(107.0491377,1.266420561);(117.0182308,1.404914178);(134.0209695,1.184815891);(239.0702643,0.9779421465);(241.0859135,1.017343861);(242.0937381,1.831694299);(270.0886522,0.9284674247);(283.0964768,1.398185811);(284.1043014,1.277942931);(298.0835663,1.009010193);(299.0913909,1.420542212);(300.0992155,0.9677704626);(312.0992155,0.8501877427);(313.1070401,1.330890049);(314.1148647,0.9638777195);(328.0941296,0.9212593322);(329.1019542,1.570077926);(330.1097788,1.099187024);(373.1281667,1.18366846);(400.1152562,2.190606148);(401.1230808,2.182232544) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (105.0334912,2.130229476);(107.0491413,0.8768007532);(121.0284058,2.319157408);(123.0440559,3.982556117);(125.0597059,0.8576896278);(177.0393644,1.714318276);(225.0910061,6.012379975);(243.1015708,18.13625278);(267.0499291,1.252374958);(279.0499291,1.573920457);(281.0655792,3.907101425);(285.0604938,3.006813774);(295.0448437,0.9584772546);(297.0604938,2.504391156);(299.0761439,6.621898283);(301.0917939,1.153693581);(383.1125294,1.670998053);(401.1230941,12.82954026);(419.1336587,8.694704942) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (95.04914126,1.072124654);(105.0334912,2.356736524);(107.0491413,3.761962748);(119.0491413,1.139519231);(121.0284058,1.743224571);(121.0647913,1.082965901);(123.0440559,9.054854797);(133.0647913,3.706654993);(137.0597059,1.164370676);(147.0440559,2.31344362);(149.0597059,3.482633898);(151.075356,2.695297843);(159.0287997,1.379105133);(177.0393644,2.420745859);(209.0597059,1.038901854);(211.075356,0.882820563);(213.0910061,2.259497209);(215.1066561,1.846225415);(225.0910061,7.585288726);(227.0702706,0.8729390806);(229.0859207,1.511975336);(243.1015708,18.36487055);(267.0499291,1.590609597);(279.0499291,0.9491168734);(281.0655792,0.8318217417);(285.0604938,1.876772482);(299.0761439,1.257037263);(401.1230941,2.076979954) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01784114,0.8550818566);(75.02292652,0.6982747372);(77.03857658,1.048668238);(79.05422664,0.8545837589);(87.00767038,1.741806702);(91.05422664,0.8541080369);(95.04914126,0.9616479765);(105.0334912,7.443625745);(107.0491413,6.208099863);(109.0647913,1.312792149);(117.0334912,4.965076832);(119.0491413,2.091161794);(121.0284058,4.919971371);(121.0647913,0.8750481162);(123.0440559,4.007901252);(125.0597059,0.7201827641);(133.0647913,1.477656678);(135.0804414,1.01082804);(147.0440559,1.23707885);(149.0597059,1.548507082);(159.0287997,0.7927055079);(161.0444498,1.214727537);(163.0600999,0.8032770916);(177.0393644,0.7328436853);(211.075356,1.544932146);(213.0910061,3.125791251);(215.1066561,1.534082177);(225.0910061,3.616010364);(243.1015708,5.253156742);(247.1328709,0.7244228601);(267.0499291,1.109525377) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (71.01385292,1.625777383);(87.00876754,1.146530522);(89.0244176,1.94208644);(99.00876754,0.7440913626);(103.0036822,1.221939146);(117.0193322,1.862925379);(119.0502384,3.131265748);(121.029503,1.07348361);(147.0298969,1.429713912);(163.0248115,0.9294853459);(175.0248115,1.228643383);(193.0353762,0.8349284756);(223.0764532,3.134468162);(241.0870179,17.16008603);(283.0975825,1.098297337);(297.061591,3.934570977);(299.077241,0.9045941551);(355.1187119,2.050398484);(371.1136265,2.659621873);(373.1292766,5.661891149);(399.1085411,6.109192691);(417.1191058,20.33925409) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00328823,0.9795896675);(43.0189383,1.039815649);(59.01385292,1.910930811);(73.02950298,1.192801552);(87.00876754,1.517181143);(89.0244176,1.48347202);(93.03458836,1.239848638);(103.0400677,1.770803428);(119.0502384,0.8236722651);(121.029503,1.323378084);(121.0658885,1.367126999);(131.0349823,1.380395186);(145.029503,1.152552803);(147.0298969,1.287686155);(147.045153,1.769042329);(149.0608031,2.131959827);(175.0248115,1.690062102);(193.0353762,1.140242506);(209.0608031,1.025536784);(211.0764532,2.361490551);(223.0764532,3.054782384);(241.0870179,29.08598025);(253.0870179,0.9374390185);(283.0975825,0.9582007157);(297.061591,0.8048027397);(355.1187119,2.758670586);(371.1136265,1.647577031);(373.1292766,2.947328117);(387.1085411,0.9633792244);(399.1085411,4.200842268);(417.1191058,2.539225717) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00328823,1.449987405);(43.0189383,3.035715943);(59.01385292,3.669916717);(61.02950298,3.242470098);(71.01385292,0.8860241786);(73.02950298,1.511944505);(89.0244176,0.7972189273);(93.03458836,3.047886849);(103.0400677,0.9533317869);(117.0345884,2.246190214);(119.0349823,0.854106845);(119.0502384,7.603240478);(121.029503,2.549550895);(123.045153,0.7895215405);(131.0349823,3.354482204);(147.0298969,0.8683288648);(147.045153,2.969259655);(183.0815386,1.018963442);(199.0764532,0.8051151324);(209.0608031,2.563479144);(211.0764532,8.260940682);(213.0921032,3.983290487);(223.0764532,2.702583014);(225.0557177,0.9498638974);(239.0713678,1.298686413);(241.0870179,18.941578) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (149.05971,6.14);(177.03936,5.83);(177.03936,5.83);(177.03936,5.83);(177.03936,5.83);(177.03936,5.83);(225.09101,4.04);(225.09101,4.04);(225.09101,4.04);(225.09101,4.04);(225.09101,4.04);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(325.09179,8.77);(325.09179,8.77);(325.09179,8.77);(325.09179,8.77);(373.12818,4.92);(373.12818,4.92);(373.12818,4.92);(373.12818,4.92);(373.12818,4.92);(373.12818,4.92);(373.12818,4.92);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(401.12309,13.67);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55);(419.13366,69.55) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (91.05423,3.06);(91.05423,3.06);(107.04914,3.72);(121.06479,5.97);(123.04406,3.14);(131.03389,5.09);(133.06479,6.28);(133.06479,6.28);(133.06479,6.28);(135.08044,3.5);(135.08044,3.5);(135.08044,3.5);(149.05971,8.42);(157.01315,4.57);(157.01315,4.57);(157.01315,4.57);(159.0288,5.71);(159.0288,5.71);(159.0288,5.71);(177.03936,6.23);(177.03936,6.23);(177.03936,6.23);(177.03936,6.23);(177.03936,6.23);(225.09101,4.95);(225.09101,4.95);(225.09101,4.95);(225.09101,4.95);(225.09101,4.95);(241.08592,4.19);(241.08592,4.19);(241.08592,4.19);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(285.11214,3.7);(287.12779,5.11);(287.12779,5.11);(299.07614,11.82);(299.07614,11.82);(299.07614,11.82);(299.07614,11.82);(299.07614,11.82);(301.09179,3.09);(301.09179,3.09);(303.1227,8.03);(311.07614,3.05);(311.07614,3.05);(313.09179,8.98);(341.10196,3.15);(343.11761,3.68);(345.13326,3.73);(373.12818,8.78);(373.12818,8.78);(373.12818,8.78);(373.12818,8.78);(373.12818,8.78);(373.12818,8.78);(373.12818,8.78);(383.11253,7.22);(383.11253,7.22);(387.10744,4.38);(387.10744,4.38);(387.10744,4.38);(391.13874,4.51);(391.13874,4.51);(391.13874,4.51);(391.13874,4.51);(391.13874,4.51);(391.13874,4.51);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(401.12309,33.55);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29);(419.13366,35.29) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (59.01276,25.6);(61.02841,25.76);(61.02841,25.76);(65.03858,8.15);(73.02841,8.15);(73.02841,8.15);(89.02332,10.51);(89.02332,10.51);(89.02332,10.51);(89.02332,10.51);(101.02332,17.11);(101.02332,17.11);(101.02332,17.11);(103.03897,8.14);(103.03897,8.14);(103.03897,8.14);(105.01824,7.85);(121.06479,31.76);(129.01824,23.64);(129.01824,23.64);(131.03389,7.67);(133.04954,8.34);(133.06479,16.85);(133.06479,16.85);(133.06479,16.85);(135.08044,15.46);(135.08044,15.46);(135.08044,15.46);(147.04406,11.42);(149.05971,47.73);(151.07536,7.06);(161.04445,10.98);(161.04445,10.98);(161.04445,10.98);(161.04445,10.98);(225.09101,13.19);(225.09101,13.19);(225.09101,13.19);(225.09101,13.19);(225.09101,13.19);(241.08592,18.82);(241.08592,18.82);(241.08592,18.82);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(243.10157,100.0);(255.10157,33.22);(255.10157,33.22);(255.10157,33.22);(299.07614,7.59);(299.07614,7.59);(299.07614,7.59);(299.07614,7.59);(299.07614,7.59);(303.1227,26.94);(313.09179,9.86);(315.1227,8.22);(361.09179,8.09);(365.12309,15.91);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(401.12309,12.28);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11);(419.13366,15.11) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (121.0295,23.02);(129.01933,11.78);(135.04515,8.33);(135.04515,8.33);(157.01425,17.79);(157.01425,17.79);(161.04555,8.31);(170.99351,9.46);(170.99351,9.46);(170.99351,9.46);(175.02481,14.45);(175.02481,14.45);(175.02481,14.45);(175.02481,14.45);(175.02481,14.45);(175.02481,14.45);(175.02481,14.45);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(239.07137,70.65);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(241.08702,65.76);(297.06159,38.61);(297.06159,38.61);(297.06159,38.61);(297.06159,38.61);(297.06159,38.61);(297.06159,38.61);(311.07724,25.73);(381.09798,26.03);(381.09798,26.03);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(399.10854,79.91);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0);(417.11911,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,10.0);(56.9982,5.49);(59.01385,32.61);(59.01385,32.61);(71.01385,7.2);(72.99312,11.16);(73.0295,5.62);(73.0295,5.62);(75.00877,10.83);(87.00877,24.18);(87.00877,24.18);(87.00877,24.18);(89.02442,10.33);(89.02442,10.33);(103.00368,6.42);(119.05024,5.83);(121.0295,4.77);(135.04515,4.39);(135.04515,4.39);(147.04515,5.34);(149.04555,8.46);(149.04555,8.46);(163.02481,6.19);(175.02481,6.45);(175.02481,6.45);(175.02481,6.45);(175.02481,6.45);(175.02481,6.45);(175.02481,6.45);(175.02481,6.45);(193.03538,4.46);(193.03538,4.46);(193.03538,4.46);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(239.07137,13.78);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(241.08702,100.0);(299.0925,6.98);(311.07724,4.28);(355.11871,8.11);(355.11871,8.11);(357.09798,7.59);(357.09798,7.59);(357.09798,7.59);(373.12928,8.48);(373.12928,8.48);(373.12928,8.48);(373.12928,8.48);(373.12928,8.48);(387.10854,4.68);(387.10854,4.68);(387.10854,4.68);(387.10854,4.68);(389.12419,4.55);(389.12419,4.55);(389.12419,4.55);(389.12419,4.55);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(399.10854,18.3);(415.10346,4.89);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73);(417.11911,33.73) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,19.23);(59.01385,11.96);(59.01385,11.96);(93.03459,58.11);(95.05024,23.57);(119.05024,100.0);(121.0295,11.66);(145.0295,27.87);(147.04515,51.16);(185.0608,17.03);(185.0608,17.03);(199.07645,23.5);(199.07645,23.5);(199.07645,23.5);(209.0608,14.94);(209.0608,14.94);(211.07645,15.07);(211.07645,15.07);(213.0921,17.88);(213.0921,17.88);(213.0921,17.88);(223.07645,17.65);(223.07645,17.65);(223.07645,17.65);(225.05572,13.6);(225.05572,13.6);(225.05572,13.6);(225.0921,8.86);(225.0921,8.86);(237.05572,9.86);(237.05572,9.86);(237.05572,9.86);(237.05572,9.86);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(239.07137,37.22);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(241.08702,53.42);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0);(417.11911,10.0) |
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