| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.101044585);(41.03857442,1.057680384);(43.01783932,0.8201042876);(53.03857442,0.6688526866);(55.05422362,2.692935446);(67.05422362,0.8977877665);(69.06987282,2.070449948);(109.0647869,0.747639687);(121.1011712,0.7553465169);(123.1168204,0.9532821192);(133.0647869,0.7736720606);(135.0804361,1.077132954);(147.0804361,0.6572680975);(175.1481188,1.335036932);(177.163768,0.8481326673);(199.1117345,0.8794353144);(213.1273837,0.8162342325);(227.1430329,0.9166638695);(229.1586821,0.9132242056);(241.1586821,1.944757587);(241.1950664,1.232535573);(242.1665067,0.9210226516);(243.1743313,1.54849322);(255.1743313,1.801574592);(255.2107156,1.118255629);(256.1821559,0.9858332445);(257.1899805,0.8733906444);(268.1821559,1.899377712);(269.1899805,11.27015682);(270.193388,2.443481378);(284.2134543,0.7217414841) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (27.02292522,1.101044585);(41.03857442,1.057680384);(43.01783932,0.8201042876);(53.03857442,0.6688526866);(55.05422362,2.692935446);(67.05422362,0.8977877665);(69.06987282,2.070449948);(109.0647869,0.747639687);(121.1011712,0.7553465169);(123.1168204,0.9532821192);(133.0647869,0.7736720606);(135.0804361,1.077132954);(147.0804361,0.6572680975);(175.1481188,1.335036932);(177.163768,0.8481326673);(199.1117345,0.8794353144);(213.1273837,0.8162342325);(227.1430329,0.9166638695);(229.1586821,0.9132242056);(241.1586821,1.944757587);(241.1950664,1.232535573);(242.1665067,0.9210226516);(243.1743313,1.54849322);(255.1743313,1.801574592);(255.2107156,1.118255629);(256.1821559,0.9858332445);(257.1899805,0.8733906444);(268.1821559,1.899377712);(269.1899805,11.27015682);(270.193388,2.443481378);(284.2134543,0.7217414841) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (47.1799,3.14);(55.0173,2.71);(60.0438,3.0);(61.0402,6.0);(68.0581,3.71);(69.0692,100.0);(77.0386,3.0);(81.0328,4.71);(91.054,34.71);(95.049,12.57);(96.0075,2.57);(97.0644,3.29);(105.0696,34.86);(106.0732,7.43);(109.0651,3.14);(117.07,2.57);(119.0846,15.71);(121.1001,3.57);(130.0739,4.57);(133.1,11.0);(145.0646,4.86);(146.0712,7.57);(147.1154,8.86);(148.1197,3.0);(154.0772,2.86);(159.1156,3.71);(160.1241,4.86);(161.133,6.71);(162.0205,3.29);(167.0842,4.43);(169.1015,6.43);(173.1298,4.29);(182.1095,3.57);(187.1558,4.57);(201.1583,3.43) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (71.0487,2.39);(75.0182,1.46);(81.1281,1.2);(83.086,1.68);(85.0763,1.81);(95.0856,3.67);(97.064,5.22);(101.1897,1.28);(105.07,2.43);(109.0648,1.64);(110.1055,1.02);(117.0697,1.15);(118.0423,2.12);(120.0316,1.06);(121.1007,2.57);(123.1159,2.61);(133.0167,2.04);(140.1203,1.06);(142.134,1.06);(145.1016,1.42);(147.0806,1.59);(154.0649,1.06);(157.1009,1.99);(160.1921,1.06);(161.0951,100.0);(164.1555,2.92);(165.1269,1.42);(171.1125,1.11);(173.1332,1.73);(175.1482,39.88);(176.1509,2.79);(177.1624,13.72);(185.1308,4.03);(187.147,1.86);(189.1631,3.85);(193.1575,23.37);(197.133,2.88);(200.0007,1.15);(201.0575,1.24);(203.1417,1.51);(205.1593,1.64);(207.1177,1.46);(210.0121,1.33);(211.1468,5.98);(215.1782,2.7);(221.1389,1.55);(227.1785,1.42);(247.028,1.37);(255.0538,1.46);(257.2242,2.35);(267.2096,24.7);(268.2165,3.32);(283.2052,3.54);(285.2204,88.18);(287.1995,1.37) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (59.049,3.44);(64.0313,3.54);(73.0031,2.02);(75.211,2.02);(83.0852,10.72);(95.0856,27.91);(96.0901,3.94);(104.0824,2.73);(106.0776,2.53);(107.085,12.23);(109.0656,13.65);(115.0297,2.73);(119.085,16.38);(120.0886,4.85);(123.1157,7.18);(124.1214,2.83);(127.2059,3.54);(129.0779,1.92);(133.1001,13.95);(134.104,2.12);(145.1001,6.67);(146.1089,5.16);(147.1154,8.7);(155.0805,2.43);(156.0944,4.95);(157.0981,3.84);(159.1167,10.72);(160.1242,3.13);(161.0958,65.93);(163.0616,4.55);(165.1038,3.34);(168.0947,3.44);(169.1015,2.73);(170.1084,3.74);(171.1156,7.08);(172.1204,3.54);(173.1329,8.59);(175.148,100.0);(177.1611,10.92);(183.1141,5.16);(184.0056,4.04);(185.131,7.58);(187.0491,3.34);(189.1615,3.44);(193.157,6.27);(197.1312,9.5);(198.1353,5.76);(199.1491,10.11);(201.1643,3.74);(203.1801,11.32);(211.1486,19.41);(212.1523,2.93);(223.1433,2.53);(224.1539,1.82);(225.1605,2.02);(237.1613,2.12);(241.1482,2.63);(267.2078,6.57);(285.222,6.88);(293.0732,1.92) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (47.1799,3.1);(55.0173,2.7);(60.0438,2.9);(61.0402,5.91);(68.0581,3.7);(69.0692,100.0);(77.0386,2.9);(81.0328,4.7);(91.054,34.63);(95.049,12.51);(96.0075,2.5);(97.0644,3.2);(105.0696,34.83);(106.0732,7.41);(109.0651,3.1);(117.07,2.5);(119.0846,15.62);(121.1001,3.5);(130.0739,4.5);(133.1,10.91);(145.0646,4.8);(146.0712,7.51);(147.1154,8.81);(148.1197,2.9);(154.0772,2.8);(159.1156,3.7);(160.1241,4.8);(161.133,6.71);(162.0205,3.2);(167.0842,4.4);(169.1015,6.41);(173.1298,4.2);(182.1095,3.5);(187.1558,4.5);(201.1583,3.4) | | LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (55.0173,0.02702703);(60.0438,0.02902903);(61.0402,0.05905906);(68.0581,0.03703704);(69.0692,1.0);(77.0386,0.02902903);(81.0328,0.04704705);(91.054,0.34634635);(95.049,0.12512513);(95.0856,0.12412412);(96.0075,0.02502503);(97.0644,0.03203203);(105.0696,0.34834835);(106.0732,0.07407407);(109.0651,0.03103103);(117.07,0.02502503);(119.0846,0.15615616);(121.1001,0.03503504);(130.0739,0.04504505);(133.1,0.10910911);(145.0646,0.04804805);(146.0712,0.07507508);(147.1154,0.08808809);(148.1197,0.02902903);(154.0772,0.02802803);(159.1156,0.03703704);(160.1241,0.04804805);(161.133,0.06706707);(162.0205,0.03203203);(167.0842,0.04404404);(169.1015,0.06406406);(173.1298,0.04204204);(182.1095,0.03503504);(187.1558,0.04504505);(201.1583,0.03403403) | | LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (59.049,0.03403403);(64.0313,0.03503504);(73.0031,0.02002002);(75.211,0.02002002);(83.0852,0.10710711);(95.0497,0.01801802);(95.0856,0.27827828);(96.0901,0.03903904);(104.0824,0.02702703);(106.0776,0.02502503);(107.0502,0.02002002);(107.085,0.12212212);(109.0656,0.13613614);(109.1005,0.1031031);(115.0297,0.02702703);(119.085,0.16316316);(120.0886,0.04804805);(123.1157,0.07107107);(124.1214,0.02802803);(127.2059,0.03503504);(129.0779,0.01901902);(133.1001,0.13913914);(134.104,0.02102102);(145.1001,0.06606607);(146.1089,0.05105105);(147.1154,0.08608609);(155.0805,0.02402402);(156.0944,0.04904905);(157.0981,0.03803804);(159.1167,0.10710711);(160.0899,0.02502503);(160.1242,0.03103103);(161.0958,0.65865866);(161.1285,0.0980981);(161.1547,0.03303303);(163.0616,0.04504505);(163.1103,0.03303303);(163.1486,0.02502503);(165.1038,0.03303303);(168.0947,0.03403403);(168.1389,0.03303303);(169.1015,0.02702703);(170.0839,0.02502503);(170.1084,0.03703704);(171.1156,0.07007007);(172.1204,0.03503504);(173.1329,0.08508509);(173.1426,0.01901902);(175.148,1.0);(177.1611,0.10910911);(183.1141,0.05105105);(184.0056,0.04004004);(184.1214,0.03703704);(185.0847,0.02302302);(185.131,0.07507508);(187.0491,0.03303303);(187.1495,0.03103103);(189.1615,0.03403403);(193.157,0.06206206);(197.1312,0.09409409);(198.1353,0.05705706);(199.1491,0.1011011);(201.1643,0.03703704);(203.1801,0.11311311);(211.1486,0.19319319);(212.1523,0.02902903);(223.1433,0.02502503);(224.1539,0.01801802);(225.1605,0.02002002);(237.1613,0.02102102);(241.1482,0.02602603);(267.2078,0.06506507);(285.222,0.06806807) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.0487,0.02302302);(75.0182,0.01401401);(81.1281,0.01101101);(83.086,0.01601602);(85.0763,0.01801802);(95.0856,0.03603604);(97.064,0.05205205);(97.1003,0.04304304);(101.1897,0.01201201);(105.07,0.02402402);(109.0648,0.01601602);(110.0366,0.00800801);(110.1055,0.01001001);(112.0761,0.00900901);(117.0697,0.01101101);(118.0423,0.02102102);(120.0316,0.01001001);(121.1007,0.02502503);(123.1159,0.02602603);(124.0987,0.00700701);(126.0681,0.00700701);(127.9901,0.00700701);(133.0167,0.02002002);(136.1808,0.00800801);(140.1203,0.01001001);(142.134,0.01001001);(143.0252,0.00800801);(145.1016,0.01401401);(147.054,0.01001001);(147.0806,0.01501502);(147.114,0.00800801);(154.0649,0.01001001);(157.1009,0.01901902);(159.069,0.00700701);(160.1921,0.01001001);(161.0951,1.0);(164.0593,0.01301301);(164.1555,0.02902903);(165.1269,0.01401401);(169.098,0.00900901);(171.1125,0.01101101);(171.1987,0.01001001);(173.1332,0.01701702);(175.0751,0.02002002);(175.1482,0.3983984);(176.1509,0.02702703);(177.1259,0.01901902);(177.1624,0.13713714);(177.2309,0.00700701);(178.0646,0.00700701);(178.1814,0.00800801);(185.1308,0.04004004);(187.147,0.01801802);(189.1259,0.02002002);(189.1631,0.03803804);(193.1575,0.23323323);(197.133,0.02802803);(200.0007,0.01101101);(200.1534,0.00900901);(201.0575,0.01201201);(201.1605,0.01201201);(203.1417,0.01501502);(203.1804,0.00700701);(205.1593,0.01601602);(207.1177,0.01401401);(210.0121,0.01301301);(211.11,0.00900901);(211.1468,0.05905906);(215.1782,0.02602603);(219.0116,0.00900901);(221.1389,0.01501502);(227.1785,0.01401401);(245.1189,0.00700701);(247.028,0.01301301);(255.0538,0.01401401);(257.2242,0.02302302);(267.2096,0.24624625);(268.2165,0.03303303);(270.1336,0.00800801);(271.1107,0.00900901);(274.0269,0.00800801);(283.1423,0.01501502);(283.178,0.01101101);(283.2052,0.03503504);(285.2204,0.88088088);(287.1995,0.01301301) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.049,0.024);(75.018,0.015);(81.128,0.012);(83.086,0.017);(85.076,0.018);(95.086,0.037);(97.064,0.052);(97.1,0.043);(101.19,0.013);(105.07,0.024);(109.065,0.016);(110.106,0.01);(117.07,0.012);(118.042,0.021);(120.032,0.011);(121.101,0.026);(123.116,0.026);(133.017,0.02);(140.12,0.011);(142.134,0.011);(145.102,0.014);(147.054,0.011);(147.081,0.016);(154.065,0.011);(157.101,0.02);(160.192,0.011);(161.095,1.0);(164.059,0.013);(164.156,0.029);(165.127,0.014);(171.112,0.011);(171.199,0.01);(173.133,0.017);(175.075,0.02);(175.148,0.399);(176.151,0.028);(177.126,0.019);(177.162,0.137);(185.131,0.04);(187.147,0.019);(189.126,0.021);(189.163,0.039);(193.158,0.234);(197.133,0.029);(200.001,0.012);(201.058,0.012);(201.16,0.012);(203.142,0.015);(205.159,0.016);(207.118,0.015);(210.012,0.013);(211.11,0.01);(211.147,0.06);(215.178,0.027);(219.012,0.01);(221.139,0.015);(227.178,0.014);(247.028,0.014);(255.054,0.015);(257.224,0.023);(267.21,0.247);(268.216,0.033);(271.111,0.01);(283.142,0.016);(283.178,0.011);(283.205,0.035);(285.22,0.882);(287.2,0.014) | | LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (59.049,0.034);(64.031,0.035);(73.003,0.02);(75.211,0.02);(83.085,0.107);(95.05,0.018);(95.086,0.279);(96.09,0.039);(104.082,0.027);(106.078,0.025);(107.05,0.02);(107.085,0.122);(109.066,0.137);(109.1,0.103);(115.03,0.027);(119.085,0.164);(120.089,0.049);(123.116,0.072);(124.121,0.028);(127.206,0.035);(129.078,0.019);(133.1,0.14);(134.104,0.021);(145.1,0.067);(146.109,0.052);(147.115,0.087);(155.08,0.024);(156.094,0.05);(157.098,0.038);(159.117,0.107);(160.09,0.025);(160.124,0.031);(161.096,0.659);(161.128,0.099);(161.155,0.033);(163.062,0.046);(163.11,0.033);(163.149,0.025);(165.104,0.033);(168.095,0.034);(168.139,0.033);(169.102,0.027);(170.084,0.025);(170.108,0.037);(171.116,0.071);(172.12,0.035);(173.133,0.086);(173.143,0.019);(175.148,1.0);(177.161,0.109);(183.114,0.052);(184.006,0.04);(184.121,0.037);(185.085,0.023);(185.131,0.076);(187.049,0.033);(187.15,0.031);(189.162,0.034);(193.157,0.063);(197.131,0.095);(198.135,0.058);(199.149,0.101);(201.164,0.037);(203.18,0.113);(211.149,0.194);(212.152,0.029);(223.143,0.025);(224.154,0.018);(225.16,0.02);(237.161,0.021);(241.148,0.026);(267.208,0.066);(285.222,0.069) | | LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (55.017,0.027);(60.044,0.03);(61.04,0.06);(68.058,0.037);(69.069,1.0);(77.039,0.03);(81.033,0.047);(91.054,0.347);(95.049,0.126);(95.086,0.124);(96.008,0.026);(97.064,0.033);(105.07,0.349);(106.073,0.074);(109.065,0.031);(117.07,0.026);(119.085,0.157);(121.1,0.036);(130.074,0.046);(133.1,0.11);(145.065,0.049);(146.071,0.076);(147.115,0.089);(148.12,0.03);(154.077,0.029);(159.116,0.037);(160.124,0.049);(161.133,0.067);(162.02,0.033);(167.084,0.044);(169.102,0.064);(173.13,0.043);(182.11,0.036);(187.156,0.046);(201.158,0.034) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (43.01838972,1.177573107);(57.07042529,1.28794575);(69.07042529,1.012217768);(71.08607535,1.198671604);(83.04968984,1.266336999);(95.04968984,1.082411659);(107.0496898,1.479063637);(109.0653399,1.039636882);(123.1173755,1.227053974);(135.1173755,5.994308773);(137.1330255,2.956947127);(139.1486756,1.471962013);(147.08099,4.89866237);(149.09664,2.282544438);(151.1122901,1.066859248);(173.1330255,1.072533967);(175.1486756,2.200453021);(177.1643257,1.515555766);(189.1643257,1.409913615);(199.1486756,1.011356393);(201.1643257,2.006747477);(203.1799757,1.480894205);(239.1799757,1.428708149);(241.1956258,4.900693816);(243.1748904,1.70598682);(243.2112759,4.304003565);(255.2112759,3.988156915);(259.2061905,1.145790215);(267.2112759,10.46495938);(269.1905404,1.088576832);(285.2218405,30.83347452) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (51.0234751,1.918085442);(53.03912516,2.01666357);(57.07042529,1.931356743);(67.01838972,2.462475765);(67.05477522,2.702303313);(69.07042529,2.091519939);(71.08607535,1.757808377);(83.04968984,3.403991679);(95.04968984,2.43235779);(105.0704253,3.040531368);(107.0496898,2.75465617);(123.1173755,2.007700268);(131.0496898,1.845836516);(135.1173755,10.66409076);(137.1330255,4.636584786);(147.08099,7.740278595);(149.09664,2.579032573);(149.1330255,1.973731938);(161.09664,1.756805914);(173.1330255,3.788761533);(175.1486756,2.714171603);(189.1643257,4.371743602);(199.1486756,3.527431365);(201.1643257,3.571949083);(215.1799757,1.973731938);(239.1799757,2.862953932);(241.1592403,2.664582071);(241.1956258,3.555254026);(243.1748904,2.335689564);(267.2112759,3.76065483);(285.2218405,5.157264946) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03912516,3.174676199);(51.0234751,6.755041184);(53.03912516,4.815894257);(55.05477522,1.781905507);(57.07042529,2.092797476);(65.03912516,2.673600848);(67.01838972,7.550481755);(67.05477522,3.127614061);(69.03403978,2.620117507);(69.07042529,2.675554063);(71.08607535,1.40832269);(83.04968984,1.404376391);(91.05477522,2.112025103);(93.07042529,1.656234394);(105.0704253,8.20650727);(107.0860754,1.382771204);(117.0704253,1.699037261);(123.1173755,5.436688285);(135.1173755,12.78673634);(137.1330255,4.585575338);(175.1486756,1.955219728);(177.1643257,2.049198599);(187.1486756,1.39730462);(189.1643257,1.956353308);(229.1592403,1.655846118);(239.1799757,2.038443832);(241.1592403,2.270251808);(243.1748904,2.633245741);(255.1748904,1.588788512);(257.1905404,1.718758951);(269.1905404,2.790631649) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (29.00273965,1.303516818);(31.01838972,0.1408871684);(41.00273965,0.2721906546);(43.01838972,0.1302204413);(55.05477522,0.2173395933);(69.03403978,0.1278235375);(69.07042529,0.1445268335);(81.03403978,0.1421807631);(83.04968984,0.2381654002);(83.08607535,0.1803747761);(107.0496898,0.1253347017);(123.1173755,0.1593128928);(135.08099,0.1304910466);(135.1173755,0.1321975128);(137.1330255,0.3171037116);(147.08099,0.1274604477);(149.09664,0.2730779167);(175.1486756,0.2746035512);(177.1643257,0.2639071631);(199.1122901,0.1803747761);(201.1643257,0.1163095214);(227.1435902,0.1803747761);(239.1799757,0.3836511525);(241.1592403,0.2705030669);(241.1956258,0.5806927087);(251.1799757,0.1410632083);(253.1956258,0.3151860506);(255.1748904,0.4231229912);(265.1956258,5.203093022);(267.1748904,0.6677055897);(283.2061905,86.83720821) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.7660601185);(29.00273965,0.7390320285);(41.00273965,2.721505463);(43.01838972,1.107536184);(55.05477522,0.5534117966);(65.03912516,0.3876114701);(81.03403978,0.7319884773);(83.04968984,0.6340401254);(107.0496898,0.3914171718);(111.1173755,0.3683044774);(123.1173755,0.4396989553);(135.1173755,0.835829935);(137.1330255,0.9104904119);(147.08099,0.7527054538);(149.09664,0.6087322676);(173.09664,0.3683044774);(175.1486756,0.4176406444);(177.1643257,0.70678599);(189.1643257,0.5163555197);(201.1643257,0.6829316357);(239.1799757,0.7079789755);(241.1592403,0.8411880717);(241.1956258,1.801969833);(243.1748904,0.8399615828);(251.1799757,2.834357901);(253.1956258,5.127271142);(255.1748904,0.4212323328);(257.1905404,0.3685291675);(265.1956258,9.096159718);(267.1748904,1.141595904);(283.2061905,62.17937277) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,12.77909891);(43.01838972,2.695690506);(65.03912516,2.560242713);(81.03403978,3.431377012);(105.0704253,2.569261383);(107.0860754,1.83646594);(119.0860754,1.69165088);(121.1017254,2.076077991);(123.1173755,2.320550818);(131.0860754,2.070465307);(133.0653399,1.426045118);(133.1017254,1.881679629);(135.1173755,6.989853856);(147.08099,2.252189912);(173.1330255,2.590057775);(175.1486756,1.916440037);(185.1330255,1.580806876);(189.1643257,1.906309315);(201.1643257,2.314382972);(237.1643257,5.61634473);(239.1799757,2.253626852);(241.1592403,1.440775375);(241.1956258,4.156533353);(249.1643257,2.441810155);(251.1799757,3.788849979);(253.1592403,1.440335453);(253.1956258,2.177902726);(255.1748904,1.845321446);(265.1956258,4.532420381);(267.1748904,11.14625419);(283.2061905,2.271178416) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (89.03858,10.23);(89.03858,10.23);(91.05423,33.08);(91.05423,33.08);(93.06988,10.9);(93.06988,10.9);(93.06988,10.9);(107.08553,11.1);(115.05423,19.79);(117.06988,18.98);(119.08553,33.07);(119.08553,33.07);(119.08553,33.07);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(123.11683,30.38);(129.06988,9.67);(131.08553,24.68);(131.08553,24.68);(131.08553,24.68);(131.08553,24.68);(133.10118,45.98);(133.10118,45.98);(133.10118,45.98);(133.10118,45.98);(133.10118,45.98);(133.10118,45.98);(135.11683,19.84);(135.11683,19.84);(135.11683,19.84);(135.11683,19.84);(135.11683,19.84);(135.11683,19.84);(135.11683,19.84);(137.13248,12.42);(137.13248,12.42);(137.13248,12.42);(137.13248,12.42);(137.13248,12.42);(137.13248,12.42);(137.13248,12.42);(143.08553,9.25);(149.13248,8.65);(149.13248,8.65);(149.13248,8.65);(149.13248,8.65);(161.09609,36.69);(171.11683,8.83);(173.13248,33.68);(173.13248,33.68);(173.13248,33.68);(173.13248,33.68);(173.13248,33.68);(173.13248,33.68);(175.14813,76.39);(175.14813,76.39);(175.14813,76.39);(175.14813,76.39);(175.14813,76.39);(175.14813,76.39);(175.14813,76.39);(177.16378,15.08);(177.16378,15.08);(177.16378,15.08);(201.16378,9.09);(201.16378,9.09);(201.16378,9.09);(201.16378,9.09);(215.14304,8.73);(229.15869,31.07);(229.15869,31.07);(241.19508,31.46);(241.19508,31.46);(241.19508,31.46);(241.19508,31.46);(241.19508,31.46);(241.19508,31.46);(241.19508,31.46);(243.17434,27.11);(243.17434,27.11);(243.17434,27.11);(243.21073,34.08);(243.21073,34.08);(243.21073,34.08);(267.21073,41.49);(267.21073,41.49);(267.21073,41.49);(267.21073,41.49);(267.21073,41.49);(267.21073,41.49);(267.21073,41.49);(269.18999,8.75);(269.18999,8.75);(269.18999,8.75);(283.20564,23.36);(285.22129,100.0);(285.22129,100.0);(285.22129,100.0);(285.22129,100.0);(285.22129,100.0);(285.22129,100.0);(285.22129,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (67.05423,19.7);(67.05423,19.7);(69.06988,23.62);(69.06988,23.62);(79.05423,54.21);(79.05423,54.21);(81.06988,22.98);(81.06988,22.98);(89.03858,22.0);(89.03858,22.0);(91.05423,57.44);(91.05423,57.44);(93.06988,29.95);(93.06988,29.95);(93.06988,29.95);(95.08553,20.19);(95.08553,20.19);(95.08553,20.19);(105.06988,58.19);(105.06988,58.19);(107.08553,53.42);(117.06988,21.74);(119.08553,70.55);(119.08553,70.55);(119.08553,70.55);(121.10118,38.85);(121.10118,38.85);(121.10118,38.85);(121.10118,38.85);(121.10118,38.85);(121.10118,38.85);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(131.08553,40.91);(131.08553,40.91);(131.08553,40.91);(131.08553,40.91);(133.10118,38.41);(133.10118,38.41);(133.10118,38.41);(133.10118,38.41);(133.10118,38.41);(133.10118,38.41);(135.11683,41.18);(135.11683,41.18);(135.11683,41.18);(135.11683,41.18);(135.11683,41.18);(135.11683,41.18);(135.11683,41.18);(137.13248,82.16);(137.13248,82.16);(137.13248,82.16);(137.13248,82.16);(137.13248,82.16);(137.13248,82.16);(137.13248,82.16);(139.14813,22.77);(139.14813,22.77);(139.14813,22.77);(139.14813,22.77);(139.14813,22.77);(139.14813,22.77);(145.10118,20.65);(145.10118,20.65);(145.10118,20.65);(173.13248,19.09);(173.13248,19.09);(173.13248,19.09);(173.13248,19.09);(173.13248,19.09);(173.13248,19.09);(177.16378,23.76);(177.16378,23.76);(177.16378,23.76);(201.12739,35.33);(201.16378,25.66);(201.16378,25.66);(201.16378,25.66);(201.16378,25.66);(239.17943,18.7);(239.17943,18.7);(239.17943,18.7);(239.17943,18.7);(241.19508,36.39);(241.19508,36.39);(241.19508,36.39);(241.19508,36.39);(241.19508,36.39);(241.19508,36.39);(241.19508,36.39);(243.17434,18.87);(243.17434,18.87);(243.17434,18.87);(251.17943,22.07);(251.17943,22.07);(251.17943,22.07);(251.17943,22.07);(255.21073,24.82);(255.21073,24.82);(255.21073,24.82);(267.21073,28.57);(267.21073,28.57);(267.21073,28.57);(267.21073,28.57);(267.21073,28.57);(267.21073,28.57);(267.21073,28.57) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,14.28);(65.03858,18.65);(67.05423,35.48);(67.05423,35.48);(69.06988,11.4);(69.06988,11.4);(77.03858,21.82);(79.05423,63.39);(79.05423,63.39);(81.06988,30.97);(81.06988,30.97);(89.03858,46.08);(89.03858,46.08);(91.05423,100.0);(91.05423,100.0);(93.06988,44.39);(93.06988,44.39);(93.06988,44.39);(103.05423,42.43);(105.06988,62.97);(105.06988,62.97);(107.08553,36.14);(109.10118,13.89);(109.10118,13.89);(115.05423,25.82);(117.06988,30.61);(119.08553,35.91);(119.08553,35.91);(119.08553,35.91);(121.10118,35.12);(121.10118,35.12);(121.10118,35.12);(121.10118,35.12);(121.10118,35.12);(121.10118,35.12);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(123.11683,26.09);(125.13248,16.53);(125.13248,16.53);(125.13248,16.53);(125.13248,16.53);(125.13248,16.53);(129.06988,12.7);(131.08553,25.79);(131.08553,25.79);(131.08553,25.79);(131.08553,25.79);(133.10118,19.81);(133.10118,19.81);(133.10118,19.81);(133.10118,19.81);(133.10118,19.81);(133.10118,19.81);(135.11683,16.44);(135.11683,16.44);(135.11683,16.44);(135.11683,16.44);(135.11683,16.44);(135.11683,16.44);(135.11683,16.44);(141.06988,11.82);(149.13248,26.11);(149.13248,26.11);(149.13248,26.11);(149.13248,26.11);(173.09609,12.56);(189.16378,13.29);(189.16378,13.29);(189.16378,13.29);(241.19508,17.18);(241.19508,17.18);(241.19508,17.18);(241.19508,17.18);(241.19508,17.18);(241.19508,17.18);(241.19508,17.18);(283.20564,13.89) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (241.19617,38.58);(241.19617,38.58);(255.21182,100.0);(255.21182,100.0);(255.21182,100.0);(255.21182,100.0);(283.20674,65.35);(283.20674,65.35);(283.20674,65.35);(283.20674,65.35) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,5.21);(119.08662,8.15);(119.08662,8.15);(121.10227,4.0);(121.10227,4.0);(121.10227,4.0);(123.11792,4.56);(133.10227,5.82);(133.10227,5.82);(135.11792,6.28);(239.18052,18.21);(239.18052,18.21);(239.18052,18.21);(239.18052,18.21);(241.19617,32.21);(241.19617,32.21);(251.18052,15.15);(251.18052,15.15);(253.19617,38.85);(255.21182,100.0);(255.21182,100.0);(255.21182,100.0);(255.21182,100.0);(283.20674,29.4);(283.20674,29.4);(283.20674,29.4);(283.20674,29.4) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,3.91);(65.00329,3.67);(65.03967,12.09);(65.03967,12.09);(79.05532,2.97);(105.03459,4.32);(105.07097,6.36);(119.08662,22.68);(119.08662,22.68);(123.11792,4.33);(129.03459,3.31);(129.03459,3.31);(129.07097,6.14);(131.05024,6.94);(131.05024,6.94);(131.08662,7.11);(133.10227,4.14);(133.10227,4.14);(145.10227,3.21);(145.10227,3.21);(147.11792,4.53);(185.13357,3.46);(211.14922,3.14);(235.14922,10.71);(237.16487,6.05);(237.16487,6.05);(239.18052,100.0);(239.18052,100.0);(239.18052,100.0);(239.18052,100.0) |
| 
