| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (23.99945142,0.9980526533);(25.00727602,1.418304748);(39.02292522,4.588674542);(40.03074982,0.9805952066);(41.02599842,0.9236336688);(43.04164762,1.46818771);(51.01034922,1.021876787);(52.01817382,1.18772777);(65.02599842,1.529332548);(66.03382302,1.309307466);(67.04164762,2.404718695);(67.98927962,0.9842115541);(68.04947222,2.714394144);(70.00492882,1.108420029);(91.98927962,1.254682448);(92.99710422,0.9884635625);(93.05729682,17.45454852);(94.00492882,2.22543825);(94.06037171,1.254809664);(95.00017742,1.261785474);(95.01275342,1.732718425);(96.02057802,2.410147114);(97.01582662,0.9153060404);(108.020578,1.232712057);(109.0284026,0.9290712534);(111.0314758,1.616296977);(112.0393004,1.124894837);(121.0158266,2.193052539);(122.0236512,2.857902241);(137.047125,34.97836236);(138.0502476,2.932370716) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (23.99945142,0.9063584813);(25.00727602,1.059193356);(39.02292522,4.005168694);(41.02599842,0.9396464675);(43.04164762,0.9880861708);(51.01034922,0.8629639431);(65.02599842,1.291440446);(66.03382302,1.012951817);(67.04164762,2.030759044);(68.04947222,2.068162114);(70.00492882,0.9360487793);(91.98927962,1.201264034);(93.05729682,14.68773758);(94.00492882,1.91245245);(94.06037171,1.055903282);(95.00017742,1.090906045);(95.01275342,1.323147485);(96.00800202,0.923164477);(96.02057802,2.102857225);(108.020578,1.041012058);(111.0314758,1.418795435);(112.0393004,0.9884604181);(121.0158266,1.852009254);(122.0236512,2.413165943);(137.047125,29.51050801);(138.0502476,2.473979445) | | LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (71.743,10.715);(96.081,19.895);(96.955,19.691);(97.579,13.391);(119.921,14.671);(137.396,54.344);(137.645,98.56);(138.519,100.0) | | LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (92.462,21.189);(92.587,20.525);(137.396,45.558);(138.145,100.0);(138.519,76.184) | | LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (39.419,24.053);(39.544,32.416);(41.416,23.165);(41.665,25.034);(42.539,16.164);(51.4,30.509);(52.149,52.126);(52.523,49.883);(53.647,29.767);(65.129,100.0);(65.628,89.872);(66.502,60.731);(67.5,30.711);(78.483,12.875);(79.232,61.762);(79.606,37.16);(91.963,68.547);(92.587,40.117);(138.269,31.231);(138.519,28.843) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (58.8,0.001001001);(61.1,0.001001001);(62.6,0.001001001);(71.1,0.001001001);(77.0,0.001001001);(77.8,0.002002002);(80.2,0.001001001);(82.9,0.001001001);(88.2,0.001001001);(89.1,0.001001001);(91.9,0.001001001);(94.3,0.001001001);(95.8,0.001001001);(103.1,0.001001001);(104.9,0.001001001);(106.0,0.002002002);(110.2,0.001001001);(115.3,0.001001001);(120.1,0.001001001);(121.3,0.019019019);(136.0,0.001001001);(138.2,1.0) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (59.0,0.003003003);(60.6,0.001001001);(64.9,0.001001001);(65.5,0.001001001);(67.0,0.001001001);(68.5,0.001001001);(72.8,0.001001001);(73.8,0.001001001);(77.1,0.001001001);(77.9,0.006006006);(79.3,0.001001001);(80.3,0.001001001);(82.0,0.001001001);(83.0,0.001001001);(89.0,0.001001001);(91.9,0.0750750751);(93.1,0.002002002);(94.2,0.0730730731);(95.9,0.001001001);(101.7,0.001001001);(103.0,0.001001001);(104.1,0.001001001);(104.7,0.001001001);(105.9,0.001001001);(106.5,0.001001001);(108.0,0.001001001);(110.1,0.014014014);(120.0,0.009009009);(120.8,0.002002002);(122.6,0.001001001);(135.8,0.004004004);(138.1,1.0);(154.0,0.001001001) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (38.6,0.001001001);(40.8,0.001001001);(42.1,0.003003003);(43.0,0.002002002);(44.9,0.002002002);(50.8,0.001001001);(53.0,0.018018018);(59.1,0.003003003);(65.2,0.0620620621);(66.0,0.004004004);(67.1,0.0660660661);(68.3,0.002002002);(68.7,0.002002002);(76.9,0.023023023);(77.9,0.2692692693);(78.9,0.035035035);(80.2,0.01001001);(80.7,0.001001001);(82.3,0.004004004);(90.9,0.001001001);(92.1,1.0);(93.1,0.1001001001);(94.1,0.8858858859);(94.8,0.003003003);(96.2,0.037037037);(104.9,0.001001001);(106.5,0.001001001);(108.1,0.002002002);(110.1,0.1361361361);(112.1,0.001001001);(119.9,0.023023023);(121.3,0.001001001);(122.9,0.001001001);(135.9,0.028028028);(138.3,0.6386386386);(153.9,0.003003003) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (39.2,0.005005005);(40.9,0.027027027);(41.9,0.018018018);(43.1,0.004004004);(45.0,0.004004004);(51.2,0.026026026);(52.0,0.012012012);(53.1,0.0950950951);(54.1,0.001001001);(59.0,0.004004004);(64.9,0.4284284284);(66.0,0.1111111111);(67.2,0.1801801802);(68.0,0.007007007);(69.2,0.003003003);(76.9,0.0650650651);(77.9,0.6876876877);(79.1,0.3383383383);(80.1,0.0720720721);(82.3,0.006006006);(89.9,0.002002002);(90.8,0.007007007);(91.9,1.0);(93.1,0.3323323323);(94.1,0.7557557558);(95.2,0.005005005);(96.2,0.0600600601);(104.9,0.006006006);(110.3,0.0960960961);(119.9,0.002002002);(123.8,0.002002002);(135.9,0.012012012);(138.0,0.0690690691) | | LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (39.1,0.0650650651);(41.2,0.1111111111);(42.1,0.0740740741);(50.1,0.015015015);(51.1,0.1261261261);(52.1,0.1311311311);(53.2,0.1811811812);(54.2,0.009009009);(65.2,0.962962963);(66.1,0.7057057057);(67.0,0.3653653654);(68.2,0.012012012);(76.0,0.017017017);(76.9,0.1081081081);(77.8,0.9219219219);(79.2,1.0);(80.2,0.2552552553);(91.3,0.019019019);(91.9,0.8948948949);(93.1,0.4154154154);(94.2,0.3643643644);(96.0,0.0500500501);(105.2,0.004004004);(110.3,0.036036036);(137.0,0.004004004);(138.4,0.009009009) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (78.0369,0.0740740741);(92.0526,0.3113113113);(94.0683,0.3113113113);(138.0555,1.0) | | LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (65.039,0.3573573574);(67.0507,0.1051051051);(78.0342,0.4584584585);(79.0415,0.2502502503);(92.0496,1.0);(93.0575,0.3663663664);(94.0654,0.8388388388);(110.0602,0.0970970971);(138.0555,0.3423423423) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (58.8,0.023709);(61.1,0.008368);(62.6,0.009763);(71.1,0.013947);(77.0,0.008368);(77.8,0.230119);(80.2,0.006973);(82.9,0.012552);(88.2,0.011157);(89.1,0.072522);(91.9,0.108784);(94.3,0.12552);(95.8,0.008368);(103.1,0.097626);(104.9,0.02092);(106.0,0.174333);(110.2,0.040445);(115.3,0.011157);(120.1,0.079496);(121.3,1.949736);(136.0,0.018131);(138.2,100.0) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (59.0,0.254647);(60.6,0.010501);(64.9,0.026252);(65.5,0.00525);(67.0,0.131261);(68.5,0.023627);(72.8,0.018377);(73.8,0.018377);(77.1,0.076131);(77.9,0.635304);(79.3,0.026252);(80.3,0.026252);(82.0,0.039378);(83.0,0.007876);(89.0,0.12076);(91.9,7.489762);(93.1,0.233645);(94.2,7.29287);(95.9,0.136512);(101.7,0.010501);(103.0,0.112885);(104.1,0.05513);(104.7,0.049879);(105.9,0.018377);(106.5,0.018377);(108.0,0.00525);(110.1,1.393993);(120.0,0.929329);(120.8,0.233645);(122.6,0.007876);(135.8,0.40691);(138.1,100.0);(154.0,0.039378) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (38.6,0.03095);(40.8,0.144434);(42.1,0.340452);(43.0,0.247601);(44.9,0.154751);(50.8,0.113484);(53.0,1.753843);(59.1,0.330135);(65.2,6.159084);(66.0,0.443619);(67.1,6.623336);(68.3,0.175384);(68.7,0.154751);(76.9,2.269679);(77.9,26.916331);(78.9,3.518003);(80.2,1.011039);(80.7,0.082534);(82.3,0.350769);(90.9,0.072217);(92.1,100.0);(93.1,10.038172);(94.1,88.620654);(94.8,0.309502);(96.2,3.693387);(104.9,0.144434);(106.5,0.0619);(108.1,0.154751);(110.1,13.607758);(112.1,0.123801);(119.9,2.352213);(121.3,0.041267);(122.9,0.0619);(135.9,2.754565);(138.3,63.881151);(153.9,0.299185) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.2,0.459418);(40.9,2.654416);(41.9,1.761103);(43.1,0.408372);(45.0,0.357325);(51.2,2.628892);(52.0,1.199592);(53.1,9.49464);(54.1,0.102093);(59.0,0.382848);(64.9,42.80245);(66.0,11.128127);(67.2,18.019398);(68.0,0.740174);(69.2,0.255232);(76.9,6.482899);(77.9,68.734048);(79.1,33.792751);(80.1,7.248596);(82.3,0.638081);(89.9,0.229709);(90.8,0.663604);(91.9,100.0);(93.1,33.205717);(94.1,75.599796);(95.2,0.510465);(96.2,6.023481);(104.9,0.587034);(110.3,9.596733);(119.9,0.229709);(123.8,0.204186);(135.9,1.174068);(138.0,6.942318) | | LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.1,6.500542);(41.2,11.159263);(42.1,7.367281);(50.1,1.516793);(51.1,12.567714);(52.1,13.109426);(53.2,18.093174);(54.2,0.866739);(65.2,96.31636);(66.1,70.530878);(67.0,36.511376);(68.2,1.191766);(76.0,1.733478);(76.9,10.834236);(77.8,92.19935);(79.2,100.0);(80.2,25.568797);(91.3,1.950163);(91.9,89.490791);(93.1,41.495125);(94.2,36.403034);(96.0,4.983749);(105.2,0.433369);(110.3,3.575298);(137.0,0.433369);(138.4,0.866739) | | LC-MS/MS | LC-ESI-ITFT | positive | Not Available | View Spectrum | (78.0342,0.1559);(92.0497,2.888608);(93.0572,0.202429);(94.0654,4.110153);(96.0446,0.198353);(110.0604,1.281792);(120.0447,0.144976);(138.0554,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (78.0369,7.362456);(92.0526,31.121606);(94.0683,31.121606);(138.0555,100.0) | | LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (65.039,35.774971);(67.0507,10.547264);(78.0342,45.847685);(79.0415,25.009568);(92.0496,100.0);(93.0575,36.66284);(94.0654,83.888251);(110.0602,9.724455);(138.0555,34.190586) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (74.750196,6.510557);(91.898218,7.344361);(93.924527,10.880701);(105.828381,0.659287);(109.903588,0.657151);(119.804261,100.0);(137.972337,5.244951) | | LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (60.853068,0.875046);(104.972121,0.706037);(111.840532,0.984279);(113.829039,0.637479);(114.953753,2.225036);(115.942237,91.600567);(116.952768,1.858642);(117.961751,1.012774);(120.949169,5.148618);(121.811549,52.161721);(123.806042,25.69155);(126.879089,0.560236);(127.861778,39.521324);(128.967135,0.538948);(129.852632,31.875527);(130.95757,0.842216);(132.005256,19.75057);(132.968053,3.41935);(137.984643,0.468488);(139.89527,4.028441);(141.916179,12.929257);(142.980242,1.143811);(144.002833,0.705328);(145.005063,3.603609);(145.88675,2.727627);(147.000003,0.537895);(147.889657,1.288705);(157.931826,0.474163);(160.042968,0.523259) | | LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (51.023815,0.025235);(52.466057,0.021948);(67.054932,0.028385);(71.263275,0.027266);(72.633667,0.098463);(78.034218,0.035758);(90.26609,0.027741);(92.049728,0.314995);(93.05761,0.057862);(94.065453,1.54364);(96.044579,0.127373);(105.020737,0.03609);(110.060181,1.119143);(120.17572,0.026596);(137.999695,0.121427);(138.054749,100.0);(138.106766,0.122355);(138.846664,0.035917);(139.057968,0.874345) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (80.96709,12.52);(92.05218,45.01);(135.9753,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.04251,1.8);(42.03484,2.6);(53.0402,10.9);(65.0399,6.7);(66.03469,2.4);(67.05538,7.5);(77.03853,1.7);(78.03489,10.4);(79.04369,2.9);(92.05015,82.3);(93.05911,10.0);(94.06582,75.7);(110.07104,2.0);(120.04712,1.2);(136.03982,3.0);(138.05473,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02554,19.1);(41.03946,17.2);(42.03546,15.6);(50.02609,4.8);(51.02555,37.8);(52.03234,58.3);(53.03983,64.4);(65.03993,100.0);(66.03485,37.6);(67.05522,27.4);(68.05021,3.8);(77.05039,5.1);(78.03539,66.6);(79.04322,66.0);(80.05171,12.6);(91.04465,1.9);(92.05165,70.0);(93.0585,39.1);(94.067,31.6) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (92.04974,5.2);(94.06519,5.3);(138.05509,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02275,20.4);(40.03037,2.8);(41.03845,18.5);(42.03344,13.6);(44.99674,1.8);(50.01487,3.4);(51.02276,34.4);(52.0306,41.5);(53.03857,38.4);(54.03389,1.4);(65.03862,100.0);(66.03414,32.8);(67.04141,15.9);(77.02604,5.3);(78.03385,52.8);(79.04191,57.2);(80.0497,13.6);(91.04191,1.1);(92.04975,56.2);(93.05741,31.2);(94.06526,28.1) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (92.05043,4.5);(94.06568,5.6);(138.0548,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.0385,1.6);(42.03341,2.6);(53.03858,8.6);(65.03868,10.3);(67.05437,7.5);(77.03849,1.8);(78.03391,19.3);(79.04178,4.1);(92.04945,94.6);(93.05743,8.1);(94.06502,89.6);(110.05987,1.8);(120.04477,2.1);(136.03963,2.9);(138.05492,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (92.0493,4.19);(94.0661,2.77);(138.0558,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (27.0202,1.05);(38.0146,1.65);(39.0225,28.11);(40.0298,4.67);(41.0377,18.57);(42.0333,27.24);(49.0037,1.24);(50.0144,4.65);(51.0229,26.2);(52.0304,44.77);(53.0382,29.28);(55.0533,1.25);(65.0383,100.0);(66.0336,19.0);(67.0411,10.13);(68.0496,2.44);(77.0248,5.29);(78.0333,56.88);(79.0412,65.48);(80.0495,14.06);(84.0408,1.17);(92.0495,61.03);(93.058,30.45);(94.0651,36.21);(108.0426,1.74);(138.0532,1.31) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (41.0381,1.31);(42.0325,2.67);(53.0379,3.14);(65.0382,3.33);(67.0538,4.58);(78.0332,8.41);(79.0397,1.91);(92.0493,55.91);(93.0575,4.76);(94.0647,58.36);(120.0459,3.09);(136.0388,1.53);(138.0547,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (65.039,35.77);(67.0507,10.55);(78.0342,45.85);(79.0415,25.01);(92.0496,100.0);(93.0575,36.66);(94.0654,83.89);(110.0602,9.72);(138.0555,34.19) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (92.0497,2.89);(94.0654,4.11);(110.0604,1.28);(138.0554,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (17.03912516,0.0225524913);(19.01838972,0.1036328991);(28.01872406,0.0833987889);(30.03437413,0.055393787);(54.03437413,0.008421837);(56.05002419,0.1832531247);(58.06567426,0.0353856698);(60.08132432,0.0195095901);(70.06567426,0.0400045826);(72.08132432,0.0602280764);(74.09697438,0.033471567);(96.08132432,0.018555878);(98.06058888,0.0091570475);(98.09697438,0.4025976368);(100.1126244,0.3984101155);(101.0602545,0.0158823595);(102.0555035,0.0352198188);(103.0759046,0.0160395012);(104.0711536,0.0088089642);(106.0868036,0.0088089642);(110.0969744,0.1394891625);(112.0762389,0.0089010837);(115.0759046,0.1320727744);(116.0711536,0.0694874887);(117.0915547,0.1346870268);(118.0868036,0.0753737708);(119.1072047,0.1353578242);(120.1024537,0.0741012188);(128.1075391,8.801642271);(130.0868036,0.3307414649);(138.0555035,88.53941322) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03912516,1.216118535);(43.05477522,0.5128264474);(45.07042529,0.2859870246);(56.05002419,0.2877771664);(67.05477522,0.3449330667);(69.07042529,0.4071159856);(70.06567426,0.3231845937);(71.08607535,0.5473751006);(72.08132432,0.2767779987);(73.10172542,0.3533989963);(82.06567426,0.3056870279);(85.06533991,0.2611764611);(87.04460446,0.3193799567);(89.06025453,0.3193799567);(91.07590459,0.3193799567);(96.08132432,0.5338305724);(97.06533991,0.8541790486);(98.09697438,5.175236369);(99.08098997,0.8794774303);(100.1126244,5.259771014);(101.0602545,0.5991057918);(101.09664,0.9178713221);(103.0759046,0.5717012689);(110.0969744,3.189512837);(112.0762389,0.6468905713);(115.0759046,1.647586735);(117.0915547,1.703628735);(119.1072047,1.78868044);(128.1075391,34.65282587);(130.0868036,1.682558051);(138.0555035,33.81664567) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,6.496289016);(43.05477522,1.394707854);(45.07042529,3.058138814);(54.03437413,8.218819338);(56.05002419,3.999879916);(58.06567426,2.706223901);(67.05477522,1.738995778);(68.05002419,2.041989842);(69.07042529,1.73141776);(70.06567426,6.298361622);(71.08607535,2.339425707);(72.08132432,4.92909288);(73.10172542,1.562173123);(74.09697438,9.522542109);(98.06058888,1.500718807);(98.09697438,3.41213177);(99.08098997,1.366358838);(100.0398534,1.672331082);(100.0762389,1.876997366);(100.1126244,3.427588455);(101.09664,1.683467693);(102.091889,2.663412905);(110.0969744,5.628493211);(112.0762389,1.397310093);(116.0711536,1.43252777);(118.0868036,2.406495698);(119.1072047,1.497105674);(120.1024537,2.326367267);(128.1075391,6.27887125);(130.0868036,2.603188766);(138.0555035,2.788575695) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.1256738362);(17.00273965,0.0238275518);(26.003074,0.0146239751);(28.01872406,0.0226484845);(42.03437413,0.3116527599);(44.05002419,0.037080464);(44.99765427,0.0745921438);(47.01330434,0.0552145499);(52.01872406,0.0177620446);(54.03437413,0.0807016118);(56.05002419,0.0628443106);(58.06567426,0.072343819);(68.05002419,0.1986559508);(70.06567426,0.0149481019);(72.08132432,0.011006782);(80.05002419,0.0575169497);(82.06567426,0.0351757405);(84.08132432,0.0278189959);(85.0289544,0.0278012089);(94.06567426,0.130543975);(96.08132432,7.65091311);(98.09697438,0.8271353395);(100.0398534,0.0311381155);(114.0555035,0.0731093897);(115.0759046,0.0107267371);(116.0711536,0.0249328426);(117.0915547,0.0108727397);(118.0868036,0.025751642);(126.091889,1.907489905);(128.0711536,1.321964952);(136.0398534,86.71353197) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.0234751,0.8736915281);(17.00273965,0.1579170129);(39.0234751,0.5809234724);(40.01872406,0.140542075);(41.03912516,0.2964044574);(44.99765427,0.2931820344);(47.01330434,0.0864145211);(52.01872406,0.1842091563);(54.03437413,0.4119034711);(56.05002419,0.4897651699);(58.06567426,0.3011341029);(65.03912516,0.1451390041);(66.03437413,0.296741566);(68.05002419,1.375379125);(70.06567426,0.2464921259);(71.01330434,0.2279730531);(80.05002419,6.280834169);(82.06567426,0.249913327);(85.0289544,0.4284836765);(87.04460446,0.0818475217);(89.06025453,0.0845711299);(94.06567426,0.7938450893);(96.08132432,31.21262402);(98.09697438,3.441284896);(112.0398534,0.2649166022);(114.0555035,0.1543527152);(116.0711536,0.2332761226);(118.0868036,0.3246829147);(126.091889,1.014485586);(128.0711536,5.721269424);(136.0398534,43.60580093) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (15.0234751,1.924899395);(39.0234751,2.801553021);(41.03912516,0.9346925805);(42.03437413,1.93057865);(43.05477522,0.8917702162);(44.99765427,5.845623153);(51.0234751,1.710563164);(52.01872406,1.448964419);(54.03437413,1.458748474);(56.05002419,0.6385403544);(65.03912516,4.365833553);(66.03437413,1.452017629);(67.05477522,4.247738415);(68.05002419,3.473523394);(69.07042529,4.766565417);(70.06567426,1.055923826);(71.08607535,3.710464411);(72.08132432,0.7739397815);(80.05002419,7.669717759);(82.06567426,5.516678036);(84.08132432,1.023875123);(85.0289544,0.7116278116);(89.06025453,0.6375766558);(94.06567426,1.139694821);(96.08132432,9.959388547);(98.09697438,22.05432326);(101.0602545,0.8956398706);(115.0759046,1.092611469);(117.0915547,1.218242855);(128.0711536,1.473920954);(136.0398534,3.174762984) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (136.0404,100.0);(136.0404,100.0);(136.0404,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (136.0404,100.0);(136.0404,100.0);(136.0404,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.02402,33.44);(49.00837,61.9);(50.00362,38.3);(51.02402,23.24);(65.03967,32.09);(66.03492,55.04);(92.9982,49.91);(109.0295,20.18);(136.0404,100.0);(136.0404,100.0);(136.0404,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (94.06513,49.41);(94.06513,49.41);(94.06513,49.41);(94.06513,49.41);(138.05495,100.0);(138.05495,100.0);(138.05495,100.0);(138.05495,100.0);(138.05495,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (51.02293,30.83);(53.03858,10.64);(63.02293,45.65);(65.03858,35.67);(92.04948,14.6);(92.04948,14.6);(92.04948,14.6);(94.06513,100.0);(94.06513,100.0);(94.06513,100.0);(94.06513,100.0);(95.01276,11.9);(95.01276,11.9);(97.02841,14.71);(97.02841,14.71);(109.02841,34.41);(138.05495,59.14);(138.05495,59.14);(138.05495,59.14);(138.05495,59.14);(138.05495,59.14) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,21.35);(41.03858,21.16);(42.03383,34.39);(51.02293,100.0);(53.03858,34.83);(63.02293,29.64);(65.03858,57.29);(67.05423,19.76);(68.04948,84.03);(68.04948,84.03);(78.03383,30.2);(78.03383,30.2);(92.04948,57.75);(92.04948,57.75);(92.04948,57.75);(94.06513,94.76);(94.06513,94.76);(94.06513,94.76);(94.06513,94.76) |
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