| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (39.02292522,2.571365053);(41.03857442,5.963129721);(67.05422362,1.57526999);(81.06987282,3.831626934);(93.03348852,1.862862735);(107.0491377,2.737733185);(121.0647869,2.104589347);(122.0726115,3.0161959);(134.0726115,2.204150601);(135.0804361,4.338948214);(136.0882607,3.504218676);(137.0960853,2.027136618);(148.0882607,2.0339478);(148.124645,2.726219805);(149.0960853,3.607425221);(150.1039099,4.605714151);(151.1117345,2.063379142);(161.0960853,2.694059479);(163.1117345,2.079405455);(175.1117345,3.807767801);(176.1195591,7.297118395);(176.1559434,2.771944266);(177.1273837,3.638892232);(177.163768,3.036051035);(189.1273837,3.652748733);(190.1352083,3.41125155);(190.1715926,1.650380102);(191.1430329,1.668480195);(202.1352083,3.431989592);(203.1430329,8.501878135);(217.1586821,1.584119937) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (53.0022,0.02402402);(53.0386,0.05005005);(55.0178,0.06306306);(55.0542,0.22022022);(57.0335,0.00900901);(57.0699,0.03303303);(59.0491,0.00700701);(65.0385,0.03203203);(66.0465,0.003003);(67.0542,0.45745746);(69.0334,0.21321321);(69.0698,0.18718719);(71.049,0.00800801);(77.0385,0.00900901);(78.0464,0.00500501);(79.0542,0.42142142);(80.0619,0.00500501);(81.0699,1.0);(83.0491,0.03103103);(83.0855,0.04104104);(91.0542,0.3003003);(92.0621,0.003003);(93.0699,0.47847848);(94.0413,0.00800801);(94.0778,0.00600601);(95.0491,0.10710711);(95.0855,0.25025025);(96.0573,0.002002);(97.0648,0.16116116);(103.0542,0.01601602);(104.0621,0.004004);(105.0699,0.26226226);(106.0412,0.01501502);(106.0775,0.00700701);(107.0491,0.05705706);(107.0855,0.23323323);(108.057,0.01101101);(108.0933,0.003003);(109.0648,0.08308308);(109.1012,0.11611612);(111.0804,0.24424424);(115.0542,0.02202202);(116.0618,0.01301301);(117.0698,0.08408408);(119.0855,0.18518519);(120.0568,0.003003);(120.0929,0.002002);(121.0648,0.12712713);(121.1012,0.10710711);(122.0725,0.01101101);(123.0804,0.09309309);(123.1168,0.04904905);(125.096,0.02102102);(128.0621,0.01601602);(129.0698,0.03303303);(130.0777,0.04104104);(131.0855,0.08908909);(132.0931,0.00600601);(133.0648,0.02302302);(133.1011,0.07007007);(134.0725,0.00600601);(135.0804,0.11511512);(135.1168,0.03003003);(136.0883,0.003003);(137.0961,0.06706707);(139.1118,0.002002);(142.0776,0.00500501);(143.0855,0.04904905);(144.0934,0.01901902);(145.1011,0.11111111);(146.0728,0.003003);(146.1093,0.003003);(147.0804,0.04204204);(147.1166,0.00800801);(148.0881,0.01001001);(149.0961,0.05605606);(149.1323,0.00600601);(150.1037,0.003003);(151.1114,0.00700701);(157.1012,0.01101101);(158.1088,0.00700701);(159.1168,0.03503504);(161.096,0.11911912);(161.1326,0.01301301);(162.1036,0.00600601);(163.1117,0.13613614);(171.1168,0.00500501);(173.1323,0.00700701);(175.1117,0.00900901);(175.148,0.00600601);(176.1195,0.01901902);(177.1273,0.00700701);(189.1274,0.02002002);(201.164,0.002002);(204.15,0.002002);(219.1739,0.00800801) | | LC-MS/MS | LC-ESI-QFT | Positive | low | View Spectrum | (55.0543,0.001001);(57.0699,0.001001);(67.0542,0.002002);(69.0334,0.004004);(69.0698,0.004004);(79.0541,0.001001);(81.0698,0.04504505);(83.049,0.001001);(83.0854,0.00600601);(93.0698,0.00800801);(95.0855,0.02702703);(97.0648,0.01801802);(97.1011,0.001001);(105.0698,0.00500501);(107.0855,0.01601602);(109.0647,0.00500501);(109.1011,0.03803804);(111.0804,0.03303303);(119.0855,0.01201201);(121.0648,0.00500501);(121.1011,0.01701702);(123.0804,0.01001001);(123.1167,0.03303303);(125.096,0.00700701);(131.0854,0.004004);(133.1011,0.00500501);(135.0804,0.03203203);(135.1168,0.02002002);(137.096,0.00900901);(139.1116,0.003003);(145.1012,0.02102102);(147.1168,0.004004);(149.0961,0.03603604);(149.1324,0.00800801);(151.1119,0.002002);(159.1168,0.02202202);(161.1324,0.02902903);(163.1116,0.09009009);(173.1324,0.00900901);(175.1481,0.00900901);(176.1194,0.001001);(177.1273,0.01401401);(177.1636,0.01001001);(191.1791,0.004004);(201.1637,0.05505506);(219.1742,1.0) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (53.0022,0.05405405);(53.0386,0.12912913);(55.0179,0.09109109);(55.0542,0.36736737);(57.0334,0.01201201);(57.0699,0.02502503);(59.0491,0.002002);(65.0385,0.07607608);(66.0463,0.00800801);(67.0542,0.60760761);(69.0335,0.22222222);(69.0698,0.15715716);(71.0491,0.00700701);(77.0386,0.02202202);(78.0463,0.01601602);(79.0542,0.72272272);(80.062,0.01401401);(81.0699,1.0);(83.0491,0.03203203);(83.0855,0.02402402);(91.0542,0.62862863);(92.0622,0.01001001);(93.0699,0.42742743);(94.0413,0.01601602);(94.0777,0.00600601);(95.0491,0.24724725);(95.0855,0.18518519);(96.0569,0.00800801);(97.0648,0.12012012);(103.0542,0.04504505);(104.062,0.00900901);(105.0699,0.36836837);(106.0413,0.01601602);(106.0778,0.01201201);(107.0491,0.07707708);(107.0855,0.16816817);(108.0569,0.01901902);(108.0932,0.003003);(109.0648,0.08808809);(109.1012,0.05505506);(111.0804,0.16316316);(115.0542,0.05705706);(116.0621,0.02102102);(117.0699,0.11411411);(119.0856,0.16616617);(120.0571,0.00700701);(120.0936,0.004004);(121.0648,0.13413413);(121.1012,0.04404404);(122.0726,0.01301301);(123.0805,0.05805806);(123.1168,0.01201201);(125.0957,0.00700701);(128.062,0.04204204);(129.0698,0.06706707);(130.0777,0.04904905);(131.0856,0.08208208);(132.0931,0.00500501);(133.0648,0.04504505);(133.1011,0.05405405);(134.0725,0.00900901);(135.0804,0.07607608);(135.1169,0.00700701);(137.096,0.02502503);(142.0778,0.01201201);(143.0855,0.06106106);(144.0935,0.01501502);(145.1012,0.05505506);(146.0725,0.01401401);(147.0803,0.04804805);(147.1164,0.004004);(148.088,0.004004);(149.096,0.01801802);(151.1117,0.004004);(157.1011,0.00800801);(158.1088,0.003003);(159.1168,0.01001001);(161.0961,0.09209209);(161.1326,0.00600601);(163.1119,0.03103103);(171.1167,0.00500501);(175.1117,0.004004);(176.1195,0.00600601);(189.1275,0.01701702) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (53.0022,0.004004);(53.0386,0.00700701);(55.0178,0.02302302);(55.0542,0.07107107);(57.0334,0.00900901);(57.0698,0.03403403);(65.0385,0.003003);(67.0542,0.1961962);(69.0334,0.16716717);(69.0698,0.21421421);(71.049,0.00800801);(77.0383,0.00500501);(79.0542,0.11911912);(81.0699,0.92792793);(83.0491,0.03403403);(83.0855,0.12012012);(85.0648,0.01101101);(91.0541,0.04704705);(93.0699,0.35835836);(95.0491,0.02802803);(95.0855,0.43543544);(97.0648,0.32632633);(97.1012,0.01701702);(99.0805,0.004004);(105.0698,0.12512513);(107.0491,0.02902903);(107.0855,0.33433433);(109.0648,0.08708709);(109.1012,0.41541542);(111.0804,0.4964965);(117.0697,0.03703704);(119.0855,0.23323323);(121.0647,0.11211211);(121.1011,0.31031031);(123.0804,0.15715716);(123.1168,0.37337337);(125.096,0.08008008);(129.0698,0.003003);(130.0777,0.00600601);(131.0855,0.09209209);(133.1011,0.10710711);(135.0804,0.25725726);(135.1167,0.22022022);(137.096,0.1961962);(138.1039,0.00700701);(139.1117,0.02002002);(143.0856,0.00600601);(144.0934,0.00600601);(145.1011,0.26326326);(146.1088,0.00500501);(147.0803,0.00900901);(147.1167,0.03603604);(148.0882,0.00500501);(149.096,0.46346346);(149.1323,0.09209209);(150.1038,0.00900901);(151.1117,0.04304304);(157.1011,0.01101101);(159.1168,0.2002002);(161.096,0.04304304);(161.1324,0.22322322);(162.1037,0.01201201);(163.1116,1.0);(164.1193,0.00500501);(173.1324,0.05605606);(175.1115,0.004004);(175.1481,0.07707708);(176.1196,0.08808809);(177.1273,0.1021021);(177.1637,0.05705706);(189.1273,0.00700701);(190.1351,0.004004);(191.1428,0.003003);(191.1794,0.01301301);(201.1638,0.13013013);(204.1508,0.01601602);(219.1743,0.86986987) | | LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (53.0022,0.01201201);(53.0385,0.02102102);(55.0179,0.04204204);(55.0542,0.14214214);(57.0335,0.00800801);(57.0699,0.04704705);(59.0491,0.004004);(65.0386,0.01101101);(67.0542,0.35335335);(69.0334,0.21121121);(69.0698,0.23723724);(71.0491,0.01101101);(77.0385,0.00500501);(79.0542,0.23823824);(81.0699,1.0);(83.0492,0.03903904);(83.0855,0.06506507);(85.0647,0.004004);(91.0542,0.12812813);(93.0699,0.48048048);(94.0774,0.003003);(95.0492,0.05405405);(95.0855,0.31931932);(97.0648,0.24124124);(103.0543,0.00700701);(105.0699,0.19219219);(106.0413,0.01001001);(106.0776,0.002002);(107.0491,0.05005005);(107.0855,0.3043043);(108.057,0.00500501);(109.0648,0.08208208);(109.1012,0.24324324);(111.0804,0.37037037);(115.0545,0.003003);(116.062,0.00500501);(117.0698,0.05805806);(119.0855,0.2042042);(121.0648,0.13013013);(121.1011,0.21021021);(122.0726,0.00500501);(123.0804,0.11511512);(123.1168,0.15515516);(125.0961,0.03903904);(129.0699,0.01101101);(130.0777,0.02002002);(131.0856,0.0960961);(132.0936,0.00600601);(133.0648,0.00900901);(133.1011,0.0990991);(134.0727,0.003003);(135.0804,0.18218218);(135.1168,0.09009009);(136.0886,0.003003);(137.0961,0.12512513);(138.104,0.003003);(139.1118,0.00500501);(142.0778,0.003003);(143.0854,0.02802803);(144.0934,0.01501502);(145.1011,0.17917918);(146.1086,0.00500501);(147.0805,0.02802803);(147.1168,0.01701702);(148.0882,0.004004);(149.0961,0.18018018);(149.1324,0.02702703);(150.1042,0.00500501);(151.1118,0.02302302);(157.101,0.00600601);(158.1091,0.00600601);(159.1168,0.09109109);(161.0961,0.08708709);(161.1324,0.06406406);(162.1038,0.01601602);(163.1117,0.40840841);(164.1199,0.00500501);(171.1167,0.00600601);(173.1326,0.02602603);(175.1119,0.00800801);(175.1481,0.02402402);(176.1196,0.06706707);(177.1273,0.03203203);(177.1637,0.00700701);(189.1272,0.01701702);(190.1345,0.003003);(201.1639,0.02702703);(204.1511,0.01001001);(219.1745,0.08608609) | | LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (55.0179,0.001001);(55.0542,0.00500501);(57.0335,0.001001);(57.0699,0.004004);(67.0541,0.01101101);(69.0334,0.01701702);(69.0698,0.02002002);(71.049,0.001001);(77.0385,0.001001);(79.0541,0.00700701);(81.0699,0.12212212);(83.049,0.004004);(83.0855,0.02002002);(85.0647,0.002002);(91.0541,0.001001);(93.0699,0.03003003);(95.0855,0.07407407);(97.0648,0.05505506);(97.101,0.00500501);(99.0803,0.001001);(105.0698,0.01501502);(107.0855,0.04404404);(109.0648,0.01601602);(109.1012,0.0960961);(111.0804,0.09009009);(117.0699,0.002002);(119.0855,0.03103103);(121.0648,0.01601602);(121.1011,0.05305305);(123.0804,0.02502503);(123.1168,0.08208208);(125.0961,0.01701702);(131.0856,0.01101101);(133.1012,0.01601602);(135.0804,0.06906907);(135.1168,0.05005005);(137.0961,0.02902903);(139.1119,0.004004);(145.1011,0.04904905);(147.1169,0.00700701);(149.0961,0.1021021);(149.1325,0.02202202);(151.1119,0.00800801);(159.1168,0.04604605);(161.1325,0.06906907);(162.104,0.001001);(163.1117,0.22922923);(173.1325,0.01901902);(175.1481,0.01701702);(176.1196,0.00800801);(177.1274,0.03203203);(177.1637,0.02002002);(191.1437,0.001001);(191.1796,0.00900901);(201.1638,0.08308308);(204.1505,0.001001);(219.1743,1.0) | | LC-MS/MS | LC-ESI-Q | Positive | low | View Spectrum | (81.07,0.046);(95.086,0.028);(97.065,0.019);(107.086,0.016);(109.101,0.039);(111.08,0.033);(119.086,0.012);(121.101,0.018);(123.08,0.01);(123.117,0.033);(135.08,0.032);(135.117,0.021);(137.096,0.01);(145.101,0.021);(149.096,0.036);(159.117,0.022);(161.132,0.03);(163.112,0.091);(177.127,0.014);(177.164,0.01);(201.164,0.055);(219.174,1.0) | | LC-MS/MS | LC-ESI-Q | Positive | medium | View Spectrum | (67.054,0.012);(69.033,0.018);(69.07,0.021);(81.07,0.123);(83.086,0.021);(93.07,0.031);(95.086,0.075);(97.065,0.056);(105.07,0.016);(107.086,0.044);(109.065,0.016);(109.101,0.097);(111.08,0.091);(119.086,0.032);(121.065,0.017);(121.101,0.053);(123.08,0.026);(123.117,0.083);(125.096,0.017);(131.086,0.011);(133.101,0.016);(135.08,0.069);(135.117,0.051);(137.096,0.03);(145.101,0.049);(149.096,0.102);(149.132,0.023);(159.117,0.047);(161.132,0.069);(163.112,0.23);(173.132,0.019);(175.148,0.017);(177.127,0.032);(177.164,0.021);(191.18,0.01);(201.164,0.084);(219.174,1.0) | | LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (55.018,0.023);(55.054,0.072);(57.07,0.035);(67.054,0.197);(69.033,0.168);(69.07,0.215);(79.054,0.119);(81.07,0.929);(83.049,0.034);(83.086,0.121);(85.065,0.012);(91.054,0.047);(93.07,0.359);(95.049,0.028);(95.086,0.435);(97.065,0.327);(97.101,0.017);(105.07,0.125);(107.049,0.029);(107.086,0.335);(109.065,0.088);(109.101,0.416);(111.08,0.497);(117.07,0.038);(119.086,0.234);(121.065,0.113);(121.101,0.311);(123.08,0.157);(123.117,0.373);(125.096,0.081);(131.086,0.092);(133.101,0.107);(135.08,0.258);(135.117,0.221);(137.096,0.197);(139.112,0.02);(145.101,0.264);(147.117,0.036);(149.096,0.464);(149.132,0.093);(150.104,0.01);(151.112,0.043);(157.101,0.011);(159.117,0.2);(161.096,0.044);(161.132,0.224);(162.104,0.013);(163.112,1.0);(173.132,0.057);(175.148,0.077);(176.12,0.088);(177.127,0.102);(177.164,0.057);(191.179,0.013);(201.164,0.13);(204.151,0.017);(219.174,0.871) | | LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (53.002,0.013);(53.038,0.022);(55.018,0.042);(55.054,0.143);(57.07,0.048);(65.039,0.012);(67.054,0.354);(69.033,0.211);(69.07,0.238);(71.049,0.011);(79.054,0.238);(81.07,1.0);(83.049,0.039);(83.086,0.065);(91.054,0.129);(93.07,0.481);(95.049,0.055);(95.086,0.32);(97.065,0.242);(105.07,0.192);(106.041,0.011);(107.049,0.051);(107.086,0.305);(109.065,0.083);(109.101,0.243);(111.08,0.371);(117.07,0.058);(119.086,0.204);(121.065,0.13);(121.101,0.211);(123.08,0.116);(123.117,0.155);(125.096,0.039);(129.07,0.011);(130.078,0.021);(131.086,0.096);(133.101,0.1);(135.08,0.183);(135.117,0.091);(137.096,0.126);(143.085,0.028);(144.093,0.015);(145.101,0.18);(147.08,0.029);(147.117,0.017);(149.096,0.181);(149.132,0.028);(151.112,0.023);(159.117,0.092);(161.096,0.088);(161.132,0.065);(162.104,0.017);(163.112,0.409);(173.133,0.026);(175.148,0.025);(176.12,0.067);(177.127,0.032);(189.127,0.017);(201.164,0.027);(204.151,0.01);(219.174,0.087) | | LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (53.002,0.024);(53.039,0.051);(55.018,0.064);(55.054,0.221);(57.07,0.034);(65.038,0.033);(67.054,0.458);(69.033,0.213);(69.07,0.187);(79.054,0.422);(81.07,1.0);(83.049,0.031);(83.086,0.041);(91.054,0.301);(93.07,0.479);(95.049,0.108);(95.086,0.251);(97.065,0.161);(103.054,0.017);(105.07,0.262);(106.041,0.015);(107.049,0.057);(107.086,0.233);(108.057,0.012);(109.065,0.084);(109.101,0.117);(111.08,0.245);(115.054,0.022);(116.062,0.013);(117.07,0.084);(119.086,0.186);(121.065,0.128);(121.101,0.107);(122.072,0.012);(123.08,0.093);(123.117,0.049);(125.096,0.021);(128.062,0.017);(129.07,0.033);(130.078,0.041);(131.086,0.09);(133.065,0.023);(133.101,0.071);(135.08,0.115);(135.117,0.031);(137.096,0.067);(143.086,0.049);(144.093,0.019);(145.101,0.112);(147.08,0.043);(148.088,0.01);(149.096,0.057);(157.101,0.012);(159.117,0.035);(161.096,0.12);(161.133,0.014);(163.112,0.137);(176.12,0.02);(189.127,0.02) | | LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (53.002,0.055);(53.039,0.13);(55.018,0.092);(55.054,0.367);(57.033,0.013);(57.07,0.025);(65.038,0.077);(67.054,0.608);(69.034,0.222);(69.07,0.158);(77.039,0.023);(78.046,0.016);(79.054,0.723);(80.062,0.015);(81.07,1.0);(83.049,0.032);(83.086,0.024);(91.054,0.63);(92.062,0.01);(93.07,0.427);(94.041,0.017);(95.049,0.248);(95.086,0.185);(97.065,0.121);(103.054,0.046);(104.062,0.01);(105.07,0.368);(106.041,0.016);(106.078,0.013);(107.049,0.078);(107.086,0.168);(108.057,0.019);(109.065,0.088);(109.101,0.055);(111.08,0.164);(115.054,0.057);(116.062,0.022);(117.07,0.114);(119.086,0.166);(121.065,0.134);(121.101,0.044);(122.073,0.014);(123.08,0.059);(123.117,0.013);(128.062,0.043);(129.07,0.067);(130.078,0.049);(131.086,0.082);(133.065,0.045);(133.101,0.054);(135.08,0.077);(137.096,0.025);(142.078,0.012);(143.086,0.062);(144.094,0.016);(145.101,0.055);(146.072,0.015);(147.08,0.049);(149.096,0.018);(159.117,0.01);(161.096,0.092);(163.112,0.032);(189.128,0.017) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (67.05477522,0.6968829721);(69.07042529,0.8829118084);(71.04968984,0.3526393429);(81.07042529,0.5649160913);(83.04968984,0.3979484577);(83.08607535,2.290660132);(93.07042529,0.3542863971);(95.08607535,0.5446866988);(97.10172542,0.7556740758);(121.0653399,0.5286922828);(123.08099,0.7490705967);(133.1017254,0.675686134);(135.08099,0.4892853993);(135.1173755,1.31649534);(137.09664,2.206276588);(137.1330255,0.7035729916);(149.09664,0.4660602588);(149.1330255,0.8725165107);(151.1122901,1.488886641);(159.1173755,0.3386266916);(161.1330255,0.517763662);(163.1122901,0.3608769512);(175.1122901,2.248156524);(175.1486756,0.9086516317);(177.1279402,2.183646134);(177.1643257,1.214315034);(179.1435902,4.584918032);(191.1435902,0.5192775991);(201.1643257,9.319958121);(203.1435902,2.338818648);(219.1748904,59.12784225) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (67.05477522,2.844366851);(69.07042529,2.245668742);(81.07042529,1.961948129);(83.08607535,4.629605533);(95.08607535,1.57232126);(97.10172542,1.666742778);(121.0653399,1.688152031);(123.08099,1.644886726);(133.1017254,3.211648503);(135.08099,1.577841819);(135.1173755,2.643223891);(137.09664,4.179732852);(145.1017254,2.047193791);(147.1173755,1.432558156);(149.1330255,3.638451818);(151.1122901,3.225196448);(157.1017254,1.514011381);(159.1173755,1.545517746);(161.1330255,2.864275087);(163.1122901,2.667025257);(173.1330255,1.654634172);(175.1122901,5.405133801);(175.1486756,2.424663848);(177.1279402,3.28350021);(177.1643257,3.527923206);(179.1435902,4.157961144);(187.1486756,1.783674869);(189.1643257,1.881897487);(201.1643257,4.956925638);(203.1435902,3.796956962);(219.1748904,18.32635986) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,2.970072079);(51.0234751,6.066112227);(53.03912516,6.178933046);(55.05477522,3.253371747);(57.07042529,1.340650464);(65.03912516,3.572923038);(67.05477522,11.7144501);(69.07042529,5.594455918);(81.07042529,3.117628699);(83.08607535,3.605412459);(91.05477522,1.330657521);(93.07042529,4.775659297);(95.08607535,2.631178732);(133.1017254,3.77496645);(135.1173755,2.640248744);(137.1330255,1.973511106);(145.1017254,2.57199099);(147.1173755,2.179105965);(149.1330255,3.354184815);(151.1122901,1.305688908);(159.1173755,2.15690989);(161.1330255,1.868587852);(171.1173755,1.722473933);(173.1330255,1.964968952);(175.1486756,2.777826409);(177.1643257,3.315052174);(185.1330255,1.200224776);(187.1486756,1.315499241);(189.1643257,2.496153744);(191.1435902,1.646693466);(203.1435902,5.58440726) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (27.0234751,0.1100269357);(43.05477522,0.0436873377);(55.05477522,0.0386625966);(67.05477522,0.1870576624);(69.03403978,0.0289597468);(69.07042529,0.0258721043);(81.03403978,0.0924754992);(81.07042529,0.1618857479);(83.04968984,0.0455716693);(95.08607535,0.1866363241);(97.10172542,0.0258721043);(121.0653399,0.1876017633);(123.08099,0.0258721043);(133.1017254,0.0474891434);(135.08099,0.1623310577);(135.1173755,0.0521279428);(147.1173755,0.0290256473);(149.09664,0.3747183615);(151.1122901,0.0517442087);(173.1330255,0.0650562859);(175.1122901,0.1195306645);(175.1486756,0.2219233512);(177.1279402,0.1822576152);(185.1330255,0.095917254);(187.1122901,0.0300499262);(187.1486756,0.0765582661);(189.1279402,0.2723013254);(191.1435902,0.0885792054);(199.1486756,3.107819388);(201.1279402,1.671585732);(217.1592403,92.19080303) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00273965,0.4012764374);(43.05477522,0.1658418046);(67.05477522,0.3875092532);(69.03403978,0.1761801943);(79.05477522,0.1124822857);(81.03403978,0.141470246);(81.07042529,0.4136039109);(83.04968984,0.2157053853);(95.08607535,0.3869938257);(121.0653399,0.3883084195);(133.0653399,0.1118271171);(133.1017254,0.1138212527);(135.08099,0.4143821767);(135.1173755,0.1993680511);(145.1017254,0.2388113681);(147.1173755,0.1811874314);(149.09664,0.7759574139);(161.09664,0.1656641969);(173.09664,0.8019395145);(173.1330255,0.2727868974);(175.1122901,1.741029843);(175.1486756,0.5924971819);(177.1279402,1.72298803);(185.1330255,0.2766448992);(187.1122901,0.1311732851);(187.1486756,0.2678949912);(189.1279402,0.3049542828);(191.1435902,0.1556412292);(199.1486756,3.222101057);(201.1279402,1.996670053);(217.1592403,83.52328797) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,5.046068366);(45.03403978,1.242719665);(65.03912516,1.097633914);(67.05477522,1.001394967);(79.05477522,1.242949649);(81.07042529,1.620094247);(121.0653399,1.385440828);(131.0860754,1.379909032);(133.0653399,1.07081044);(135.08099,2.152917905);(145.1017254,1.446646577);(147.1173755,2.322047738);(149.09664,2.469164583);(159.08099,0.9752431854);(159.1173755,1.899083943);(161.09664,3.391095761);(171.1173755,3.409826895);(173.09664,3.415164322);(173.1330255,2.722160142);(175.1122901,4.239515561);(175.1486756,3.072410313);(177.1279402,2.882326576);(183.1173755,0.9337279223);(185.09664,4.009415237);(185.1330255,2.199764437);(187.1122901,1.936242142);(187.1486756,5.613310146);(189.1279402,2.166679949);(199.1486756,4.351208533);(201.1279402,21.76154874);(217.1592403,7.543478284) |
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