| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.98927962,1.254768371);(44.99710422,6.095764619);(105.0334885,1.695475094);(107.0491377,3.470701626);(109.0284026,2.025207586);(109.0647869,1.396250691);(111.0440518,1.36034601);(121.0284026,1.837899798);(121.0647869,1.437199919);(122.0362272,1.89643142);(123.0440518,3.572677289);(124.0518764,2.92721042);(125.059701,1.413958294);(135.0440518,7.891521527);(136.0518764,3.633901369);(137.059701,10.10577702);(148.0518764,1.425024069);(149.059701,3.299469735);(150.0675256,7.920928036);(151.0753502,6.135393696);(152.0831748,4.234216994);(165.0546151,1.233949458);(166.0624397,1.51116514);(167.0702643,1.281716573);(168.0780889,1.328251832);(178.0624397,3.229804872);(179.0702643,4.384998989);(180.0417046,1.226062665);(181.0495292,2.770994408);(195.0651784,1.671990214);(196.073003,6.330942266) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.618437444);(71.03115062,0.8340739931);(72.03897522,0.7110968802);(73.01041552,1.563355476);(73.04679982,12.26240588);(74.04796012,1.04924792);(75.02606472,4.815674221);(75.06244902,0.6490366138);(89.04171392,6.811389816);(90.04953852,1.699254903);(91.05736312,1.454700504);(117.036628,0.8477661619);(193.0679264,0.8635628274);(197.0992248,0.7733573529);(207.0835756,1.383278315);(209.0992248,2.845020973);(221.0992248,0.8419960868);(223.114874,2.888833789);(239.1097881,1.022245804);(251.1097881,3.40957581);(252.1122318,0.682359561);(266.0968776,0.7040385986);(267.1047022,2.694308356);(268.1125268,2.717314957);(269.1203514,1.476904968);(295.1180135,1.521067507);(324.1207522,1.217039455);(325.1285768,7.010508025);(326.1305793,1.923876151);(327.1282953,0.7679168462);(340.1520506,0.7865490494) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (44.99710422,3.189761982);(59.01275342,0.899874538);(81.03348852,0.7711682802);(105.0334885,1.256067539);(107.0491377,2.167260964);(109.0284026,1.4871);(109.0647869,1.038763411);(111.0440518,0.932003227);(121.0284026,1.302215455);(122.0362272,1.34712999);(123.0440518,2.627888215);(124.0518764,2.116249529);(125.059701,0.8762301797);(135.0440518,5.212179135);(136.0518764,2.671612662);(137.059701,7.360278365);(149.059701,1.950349401);(150.0675256,4.644120302);(151.0753502,4.435254792);(152.0831748,2.624122895);(164.0467905,0.8178318863);(165.0546151,0.9062324414);(166.0624397,1.112783863);(167.0702643,0.9413133835);(168.0780889,0.9754896308);(178.0624397,3.479084834);(179.0702643,1.918825006);(180.0417046,0.9041201717);(181.0495292,2.177413895);(195.0651784,1.227936658);(196.073003,4.842652652) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (44.99710422,3.189761982);(59.01275342,0.899874538);(81.03348852,0.7711682802);(105.0334885,1.256067539);(107.0491377,2.167260964);(109.0284026,1.4871);(109.0647869,1.038763411);(111.0440518,0.932003227);(121.0284026,1.302215455);(122.0362272,1.34712999);(123.0440518,2.627888215);(124.0518764,2.116249529);(125.059701,0.8762301797);(135.0440518,5.212179135);(136.0518764,2.671612662);(137.059701,7.360278365);(149.059701,1.950349401);(150.0675256,4.644120302);(151.0753502,4.435254792);(152.0831748,2.624122895);(164.0467905,0.8178318863);(165.0546151,0.9062324414);(166.0624397,1.112783863);(167.0702643,0.9413133835);(168.0780889,0.9754896308);(178.0624397,3.479084834);(179.0702643,1.918825006);(180.0417046,0.9041201717);(181.0495292,2.177413895);(195.0651784,1.227936658);(196.073003,4.842652652) | | LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (51.486834,0.0001024);(51.571714,0.0000952);(51.759668,0.0000783);(53.321692,0.00009688);(53.96143,0.00009061);(54.162443,0.00009506);(54.427792,0.00009799);(54.939132,0.00009736);(55.184319,0.00007376);(55.523383,0.00009052);(55.712145,0.00010725);(56.372049,0.00008748);(56.654698,0.00008161);(56.767725,0.00009447);(56.932882,0.00010581);(57.507253,0.00008051);(57.829759,0.00009233);(57.999791,0.00010768);(58.086583,0.00007929);(59.012504,0.10784915);(59.014132,0.00136102);(59.819879,0.00010284);(59.939839,0.00011357);(60.015829,0.0007039);(61.020344,0.00009082);(61.987073,0.00022229);(62.214547,0.00008957);(64.129745,0.00008228);(64.148463,0.00008819);(65.136894,0.00008602);(65.479988,0.00013339);(65.937472,0.00008588);(67.314911,0.00007039);(67.390934,0.0000806);(67.777811,0.00008179);(67.841941,0.00009494);(67.936843,0.00009298);(68.872477,0.00009792);(69.55897,0.00009888);(69.656663,0.00009345);(69.703443,0.00009193);(71.081249,0.00009693);(71.327181,0.00010118);(71.509672,0.00010148);(72.44639,0.00008761);(73.712097,0.00009494);(75.253639,0.00009356);(76.188774,0.00010872);(76.420938,0.00008926);(76.551703,0.00008103);(76.59845,0.00008579);(77.1214,0.00011688);(78.020016,0.0000913);(78.984437,0.00031271);(80.879615,0.00007965);(82.96547,0.00008096);(84.238782,0.0001204);(85.946531,0.00009932);(86.219799,0.00008846);(87.737541,0.00010212);(88.321118,0.00012122);(88.928877,0.00009636);(89.331898,0.00009939);(90.331093,0.00009481);(90.992982,0.00010094);(93.180689,0.0001005);(94.382801,0.00009828);(94.57256,0.00010903);(94.979513,0.00215247);(95.395298,0.00011767);(95.767356,0.00008881);(97.373349,0.00008276);(98.287081,0.0000805);(99.689635,0.00009417);(99.949794,0.00010185);(100.26792,0.00063222);(100.49382,0.00012002);(100.815901,0.00008791);(100.932336,0.00085737);(101.48137,0.00010556);(104.228371,0.0000966);(107.851071,0.00008293);(107.926903,0.00009878);(108.020457,0.00688943);(109.075503,0.00009929);(110.956672,0.00017345);(111.007822,0.00009155);(112.617736,0.00008439);(112.812231,0.00009013);(115.83906,0.00011526);(115.91951,0.00234258);(116.927368,0.00099066);(117.999916,0.00010875);(119.049042,0.08214774);(119.802351,0.00008739);(119.917516,0.00007909);(120.017696,0.00008546);(120.052401,0.00607258);(120.707703,0.0001336);(121.028354,0.03566316);(121.064461,0.00011946);(121.208776,0.00009032);(121.768904,0.0000976);(122.031722,0.00182472);(122.03622,0.00609497);(122.080391,0.00008432);(123.044021,0.03703201);(123.049115,0.00048588);(124.015462,0.02596125);(124.047272,0.00189693);(124.947724,0.00008014);(125.018742,0.00058039);(125.023246,0.00858387);(126.381733,0.00011266);(127.107082,0.00011139);(128.220647,0.00010439);(129.387642,0.0001099);(129.60753,0.00008592);(132.866818,0.00010749);(134.036255,0.01663543);(135.044083,0.19733572);(135.33471,0.00010758);(136.051845,1.0);(137.02338,0.00141465);(137.05519,0.08061347);(138.057088,0.00029093);(138.163425,0.00009851);(139.774735,0.00008031);(141.095063,0.00009635);(141.180925,0.00008065);(142.404528,0.00008632);(142.419206,0.00008499);(144.381993,0.0001136);(149.053828,0.00009831);(149.059742,0.00677517);(150.031187,0.01691532);(151.039051,0.04759376);(151.068808,0.00030881);(151.075428,0.03601709);(152.042555,0.00275345);(152.07887,0.0020903);(154.222573,0.00008013);(155.259553,0.00009213);(155.349579,0.00009465);(155.409115,0.00009531);(156.4962,0.00010631);(157.380765,0.00011015);(158.845728,0.00092458);(160.198446,0.00008827);(160.595322,0.00009485);(160.841115,0.01393265);(160.884208,0.00009286);(162.031344,0.00921587);(162.480274,0.00008757);(162.83819,0.00050658);(164.894532,0.00073293);(165.861297,0.00010707);(167.430967,0.00012908);(172.023764,0.0000856);(173.435661,0.00010169);(174.283433,0.00010858);(176.894521,0.00085849);(177.054873,0.02263374);(178.058414,0.00112953);(180.04155,0.00025455);(186.263047,0.00008842);(191.670454,0.00008729);(192.350892,0.0001212);(194.90543,0.00248265);(195.065608,0.50362651);(195.62266,0.00009096);(195.81034,0.00702811);(196.069065,0.05439632);(197.027208,0.0001973);(197.070783,0.00136612);(198.049608,0.00010134) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.251379,0.00016205);(50.783716,0.0001999);(50.793049,0.00014915);(51.088186,0.00017893);(51.112103,0.000172);(51.612047,0.00015114);(51.927384,0.00021831);(51.948302,0.00020715);(52.491564,0.00020808);(52.66304,0.0002012);(53.557786,0.00017833);(53.701814,0.00018758);(53.713848,0.00021307);(54.368963,0.00018123);(54.568908,0.00016221);(54.961665,0.00015881);(55.93252,0.00017047);(56.285012,0.0001736);(56.659788,0.00019639);(56.933123,0.00032013);(58.516608,0.00022626);(59.012503,0.06790628);(59.175077,0.00016612);(59.544357,0.00022181);(60.015694,0.00021496);(61.388041,0.00022961);(61.543369,0.00016453);(61.809691,0.00016183);(61.987039,0.00021168);(63.285003,0.00018486);(63.329387,0.00018688);(63.751428,0.00016818);(63.822547,0.00016681);(64.55153,0.0001962);(65.260663,0.00017979);(67.015475,0.00018188);(67.057654,0.00028284);(67.189374,0.00016772);(67.406031,0.00025601);(67.992833,0.00015129);(68.470032,0.00015706);(68.855082,0.0002064);(70.265165,0.00017072);(70.543309,0.00019133);(70.663196,0.00024255);(71.468265,0.00020261);(72.073039,0.00017039);(72.611737,0.00018405);(72.777268,0.00016421);(72.840344,0.00025044);(73.970714,0.00016996);(74.247358,0.00020971);(74.571949,0.00019019);(74.809925,0.00023561);(75.146523,0.00017793);(76.004766,0.00017654);(76.785281,0.00022043);(77.354773,0.00018428);(79.564949,0.00016241);(80.552072,0.00015148);(80.883387,0.00015096);(81.287445,0.00020813);(82.132571,0.00015755);(83.909703,0.00017979);(84.417526,0.00019129);(85.776282,0.00018636);(87.627454,0.00024339);(88.336198,0.00015106);(89.275658,0.00020416);(90.515694,0.00022555);(93.496899,0.00020071);(94.979489,0.00131401);(95.376814,0.00015947);(95.636039,0.00021514);(95.688516,0.00021532);(96.824313,0.00017696);(96.895293,0.00021033);(97.394433,0.00019996);(98.660335,0.00016489);(98.687578,0.0001984);(98.988165,0.00022249);(100.066454,0.000231);(100.932312,0.00111063);(104.025538,0.00092375);(104.857692,0.00016777);(108.020434,0.01024025);(110.956762,0.00029061);(110.974365,0.00022786);(112.933264,0.00022579);(114.032258,0.00018408);(114.129302,0.00018863);(114.629404,0.00017591);(114.748745,0.00015747);(114.948204,0.00018655);(115.073952,0.00021491);(115.530926,0.00021356);(115.919578,0.0020384);(116.418475,0.00019687);(116.578674,0.00019013);(116.849879,0.00018853);(116.927317,0.00072049);(117.228043,0.00017214);(119.049042,0.10812493);(120.008475,0.00018477);(120.052434,0.0069544);(121.028343,0.14174775);(121.03322,0.001813);(122.031675,0.00877162);(122.036151,0.00212523);(123.044013,0.01949183);(123.705611,0.00020631);(124.015472,0.01637374);(125.023278,0.00345688);(126.933386,0.00018157);(130.737791,0.00018857);(132.099888,0.00022284);(133.064673,0.00025475);(133.856528,0.00018757);(134.036292,0.00598486);(135.044051,0.15735435);(135.049838,0.00208793);(135.616052,0.00026661);(135.810937,0.0002048);(136.021885,0.00064287);(136.051824,1.0);(137.055192,0.07931391);(137.973538,0.00020415);(138.886785,0.00023483);(139.634681,0.0002512);(147.060905,0.00019932);(148.980542,0.0002626);(149.059673,0.00018726);(149.40975,0.00020285);(149.591255,0.00018235);(149.935766,0.00020479);(150.031192,0.00921494);(151.018029,0.00016769);(151.039054,0.02856469);(151.075468,0.01021331);(154.631267,0.00022472);(156.993526,0.00018005);(158.84575,0.00083798);(160.152689,0.00016443);(160.561311,0.00020401);(160.841094,0.02022172);(161.18247,0.00022738);(161.409326,0.00017503);(162.031411,0.01044917);(162.662864,0.00018897);(162.83806,0.00023574);(165.411285,0.00017183);(166.063856,0.00019413);(167.134464,0.0001761);(172.059095,0.0002307);(172.252677,0.00021891);(176.8942,0.00105725);(177.054851,0.00862921);(177.692032,0.00019678);(179.833926,0.00016835);(180.339969,0.00021011);(180.958991,0.00021098);(186.459297,0.00020069);(190.967853,0.00026168);(194.905335,0.00069926);(195.065698,0.10254908);(195.810382,0.00279513);(195.997995,0.00020469);(196.069056,0.00936218);(197.13441,0.00019932);(198.14249,0.00016253) | | LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (51.037221,0.00039557);(51.057821,0.0003314);(51.914824,0.00038461);(52.19365,0.00031565);(52.854796,0.00033507);(54.123688,0.00039646);(55.280495,0.00033912);(55.357175,0.00038114);(55.509589,0.00030389);(56.294529,0.00032401);(56.397773,0.00033852);(56.600733,0.00037231);(56.602209,0.00099744);(57.637608,0.00031352);(57.8476,0.00034601);(58.386349,0.00033365);(59.012507,0.04304909);(59.280894,0.0003318);(59.725293,0.00031269);(60.406654,0.00030901);(61.270461,0.00065505);(61.272331,0.00198237);(61.274851,0.00056594);(61.291352,0.00033989);(61.751978,0.00030485);(62.105978,0.00035493);(62.428954,0.0002745);(62.574318,0.00031416);(62.628346,0.00042256);(62.905677,0.00030289);(63.377343,0.00041971);(63.605261,0.00031965);(65.001771,0.00087429);(65.038287,0.00098232);(65.420562,0.00029549);(65.597985,0.00045259);(65.821732,0.00036468);(66.925262,0.0003504);(69.6339,0.0003082);(70.091004,0.00034952);(70.65037,0.00029207);(71.089489,0.00036727);(74.76985,0.0003331);(75.641699,0.00032896);(75.974588,0.00034692);(75.987951,0.00040434);(76.212245,0.00037666);(76.688891,0.00044263);(77.236185,0.00029679);(78.162007,0.00036547);(78.283562,0.00035334);(81.791545,0.00031103);(82.521862,0.00034919);(82.709039,0.00036996);(83.387102,0.00040117);(86.502049,0.00036113);(87.365074,0.00035617);(88.074246,0.00035167);(91.017682,0.00253382);(91.054,0.01199954);(91.181968,0.00028543);(91.389371,0.00039756);(93.033295,0.02950565);(94.152351,0.0002895);(94.738269,0.00033182);(94.979501,0.0022137);(99.895808,0.00031083);(100.932401,0.00033582);(102.499625,0.00035373);(103.153218,0.00041821);(104.0255,0.02438084);(104.075258,0.00028878);(104.767233,0.00032161);(106.428817,0.00034163);(107.16239,0.00033581);(107.249297,0.00031383);(108.020443,0.01953947);(109.326017,0.00032514);(110.706359,0.00043236);(111.007349,0.00046223);(111.396929,0.00030311);(112.832385,0.00032922);(115.919554,0.00458052);(116.150804,0.00040214);(116.927369,0.00277538);(119.049042,0.1371804);(119.575379,0.00032961);(119.749014,0.00034818);(120.052526,0.00863508);(120.328843,0.00027851);(121.003513,0.0006473);(121.028361,1.0);(121.052838,0.00057577);(122.031735,0.0709657);(122.036342,0.00153158);(123.044077,0.00222963);(123.792551,0.00043025);(124.015447,0.00289474);(124.459386,0.00033637);(125.259081,0.00050139);(125.811362,0.00036996);(126.184952,0.00030102);(129.470031,0.00036309);(130.779883,0.00034328);(134.036277,0.0057884);(134.864393,0.00034109);(135.044087,0.28846894);(135.049881,0.00404142);(135.446949,0.00046828);(136.05188,0.7223331);(136.081575,0.00069337);(136.623975,0.00043503);(137.055248,0.05914297);(138.549494,0.00035619);(139.148298,0.00045597);(144.445288,0.00031008);(146.115895,0.00033578);(147.513014,0.00036567);(147.978255,0.00042921);(151.039051,0.00315077);(151.768822,0.00040984);(158.845734,0.00085262);(159.070308,0.00037366);(159.751045,0.00035113);(160.841176,0.02913532);(161.02353,0.00037996);(161.387234,0.00034295);(162.031287,0.00257681);(162.051769,0.00036391);(164.453968,0.00037088);(164.825026,0.00036669);(167.280728,0.00036197);(167.79075,0.00037252);(170.598371,0.00036715);(170.780886,0.00038002);(172.307454,0.00034575);(174.313868,0.00032579);(176.894708,0.00080617);(177.91485,0.00029921);(178.952365,0.00035201);(179.687441,0.00032735);(196.718224,0.00033132);(196.88628,0.00030795) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.0953810041);(43.01838972,0.2261476343);(44.99765427,0.0968011077);(55.01838972,0.4343360639);(61.0289544,0.3412465316);(71.01330434,0.3552974823);(73.0289544,0.9165474623);(85.0289544,0.1059318593);(87.04460446,0.121970451);(95.01330434,0.0912515885);(99.04460446,0.0783700442);(107.0496898,0.0798707775);(119.0496898,0.1324301101);(121.0653399,0.1227899158);(125.0602545,0.6861501233);(135.0446045,0.1047690776);(137.0602545,7.131538079);(141.0551691,0.1043380322);(143.0708192,0.1183226565);(147.0446045,0.3426237914);(149.0602545,1.36912109);(151.0395191,0.0876780376);(151.0759046,9.245678347);(153.0915547,0.8938812592);(161.0602545,4.451400805);(163.0395191,0.1670593168);(165.0551691,0.732764646);(167.0708192,0.5343814663);(179.0708192,29.39762132);(181.0500838,0.3498180384);(197.0813839,41.08448188) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.5180866496);(43.01838972,0.8308131805);(53.03912516,0.2841675988);(55.01838972,1.313995498);(61.0289544,0.6907755794);(71.01330434,1.029271081);(73.0289544,2.294311452);(95.04968984,0.2970349861);(97.0289544,0.2703928107);(107.0496898,1.731897638);(109.0289544,0.2795408308);(119.0496898,2.364152668);(121.0653399,3.349918833);(123.0446045,0.2644251671);(123.08099,0.460402728);(125.0602545,1.157374909);(133.0653399,0.4532521379);(135.0446045,0.6706758242);(137.0602545,12.77532985);(147.0446045,2.576239841);(149.0602545,2.782757806);(151.0759046,23.40403583);(153.0551691,0.4650554693);(153.0915547,1.811456045);(161.0602545,5.039036379);(163.0395191,0.2983117233);(165.0551691,1.333639577);(167.0708192,1.790282101);(179.0708192,15.99900036);(181.0500838,0.5497428105);(197.0813839,12.91462264) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,4.456856454);(41.03912516,1.55369986);(43.01838972,1.710924718);(44.99765427,0.7500174188);(51.0234751,8.65259049);(53.03912516,2.827570012);(55.01838972,1.856513957);(65.03912516,1.807082982);(71.01330434,1.426332982);(73.0289544,1.494332785);(77.03912516,3.306327519);(79.01838972,1.243609888);(79.05477522,4.38241044);(81.03403978,1.725650657);(95.01330434,2.20520514);(105.0340398,1.325776762);(107.0496898,10.59164592);(109.0289544,1.389788189);(111.0446045,0.7479393174);(119.0496898,6.100910282);(121.0653399,4.570654549);(125.0602545,1.092832128);(133.0289544,0.8391320092);(133.0653399,3.032376918);(135.0446045,4.42854676);(135.08099,0.7505460088);(137.0602545,16.2125804);(149.0602545,3.052760653);(151.0759046,4.71136744);(153.0915547,0.7143540426);(181.0500838,1.039663319) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2288538679);(31.01838972,0.2483595038);(41.00273965,0.1522774894);(44.99765427,0.1589316304);(55.01838972,0.2475911531);(57.03403978,0.1212600224);(59.01330434,2.250964273);(71.01330434,0.0578797896);(97.0289544,0.1820493689);(107.0133043,0.0208876125);(109.0289544,0.0278884717);(119.0496898,0.1053009484);(121.0653399,0.1039205371);(123.0446045,0.1912124061);(133.0653399,0.1350721514);(135.0446045,1.284898242);(139.0395191,0.1359848382);(141.0551691,0.0432350197);(147.0446045,0.1686675744);(149.0602545,0.7981533433);(151.0395191,0.0317417374);(151.0759046,11.67060046);(153.0551691,0.1168127128);(159.0446045,0.0447724354);(163.0395191,0.3615112469);(165.0551691,0.3824219477);(167.0344337,0.022267737);(169.0500838,0.1433385276);(177.0551691,4.015341426);(179.0344337,0.9275145321);(195.0657338,75.62028899) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.288499746);(41.00273965,0.7401694369);(44.99765427,1.076990739);(55.01838972,0.3724541106);(59.01330434,9.262940045);(95.04968984,0.2870231216);(105.0340398,0.3413776517);(107.0133043,0.2922489755);(109.0653399,0.3028294913);(119.0496898,1.193776704);(121.0289544,1.016683034);(121.0653399,0.845134321);(123.0446045,0.8299297996);(133.0289544,0.4211249965);(135.0446045,8.326287723);(137.023869,0.6574250789);(139.0395191,0.5983456571);(147.0446045,1.187581239);(149.023869,0.594037894);(149.0602545,2.318406846);(151.0395191,0.6769316233);(151.0759046,13.61616518);(153.0551691,1.051654162);(159.0446045,0.3132737338);(161.023869,0.5270146739);(163.0395191,1.570183965);(165.0551691,1.359285869);(169.0500838,0.2963749272);(177.0551691,5.542272789);(179.0344337,7.494930681);(195.0657338,36.59864579) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,10.01655924);(44.99765427,5.45726699);(55.01838972,2.428927032);(59.01330434,23.29203147);(77.03912516,1.012303322);(79.05477522,0.8117767734);(97.0289544,0.8495142823);(105.0340398,2.426083296);(107.0133043,2.14257166);(107.0496898,0.8744373775);(109.0289544,1.201818658);(119.0133043,1.011536106);(119.0496898,2.778936687);(121.0289544,2.464709299);(121.0653399,1.667903378);(123.0446045,2.560809703);(131.0133043,1.63935414);(133.0289544,1.796394383);(135.0446045,11.31220286);(137.023869,1.848936241);(147.0446045,2.620265565);(149.023869,2.991586689);(149.0602545,1.074716689);(151.0395191,0.7944703004);(151.0759046,1.315799998);(159.0446045,0.7767777351);(161.023869,2.533016595);(163.0395191,1.128463139);(165.0551691,1.26413267);(177.0551691,2.505953061);(179.0344337,5.400744663) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (135.04406,9.06);(135.04406,9.06);(135.04406,9.06);(135.04406,9.06);(135.04406,9.06);(135.04406,9.06);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(147.04406,19.24);(147.04406,19.24);(147.04406,19.24);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(151.07536,29.9);(165.05462,7.6);(165.05462,7.6);(165.05462,7.6);(165.05462,7.6);(179.07027,94.73);(179.07027,94.73);(179.07027,94.73);(179.07027,94.73);(179.07027,94.73);(179.07027,94.73);(179.07027,94.73);(197.08084,27.79);(197.08084,27.79);(197.08084,27.79);(197.08084,27.79);(197.08084,27.79);(197.08084,27.79);(197.08084,27.79) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (57.03349,8.9);(57.03349,8.9);(81.03349,6.07);(81.03349,6.07);(81.03349,6.07);(81.03349,6.07);(95.04914,6.46);(95.04914,6.46);(95.04914,6.46);(95.04914,6.46);(95.04914,6.46);(105.03349,17.06);(105.03349,17.06);(105.03349,17.06);(107.04914,13.84);(107.04914,13.84);(107.04914,13.84);(107.04914,13.84);(109.02841,5.23);(109.02841,5.23);(109.02841,5.23);(109.02841,5.23);(109.02841,5.23);(109.06479,18.45);(109.06479,18.45);(109.06479,18.45);(109.06479,18.45);(119.04914,21.94);(119.04914,21.94);(121.06479,5.02);(121.06479,5.02);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(125.05971,11.01);(127.07536,6.24);(127.07536,6.24);(127.07536,6.24);(127.07536,6.24);(127.07536,6.24);(127.07536,6.24);(135.04406,10.1);(135.04406,10.1);(135.04406,10.1);(135.04406,10.1);(135.04406,10.1);(135.04406,10.1);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(147.04406,21.24);(147.04406,21.24);(147.04406,21.24);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(151.07536,26.37);(165.05462,4.9);(165.05462,4.9);(165.05462,4.9);(165.05462,4.9);(179.07027,12.35);(179.07027,12.35);(179.07027,12.35);(179.07027,12.35);(179.07027,12.35);(179.07027,12.35);(179.07027,12.35);(197.08084,6.95);(197.08084,6.95);(197.08084,6.95);(197.08084,6.95);(197.08084,6.95);(197.08084,6.95);(197.08084,6.95) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (45.03349,20.54);(45.03349,20.54);(51.02293,25.43);(53.03858,40.41);(57.03349,8.92);(57.03349,8.92);(65.03858,100.0);(65.03858,100.0);(67.05423,17.65);(67.05423,17.65);(75.02293,7.58);(77.03858,22.08);(79.01784,14.45);(79.01784,14.45);(79.01784,14.45);(79.05423,59.7);(81.03349,11.35);(81.03349,11.35);(81.03349,11.35);(81.03349,11.35);(95.04914,11.03);(95.04914,11.03);(95.04914,11.03);(95.04914,11.03);(95.04914,11.03);(105.03349,21.94);(105.03349,21.94);(105.03349,21.94);(107.04914,28.02);(107.04914,28.02);(107.04914,28.02);(107.04914,28.02);(109.02841,13.41);(109.02841,13.41);(109.02841,13.41);(109.02841,13.41);(109.02841,13.41);(109.06479,27.8);(109.06479,27.8);(109.06479,27.8);(109.06479,27.8);(111.04406,9.47);(111.04406,9.47);(111.04406,9.47);(111.04406,9.47);(111.04406,9.47);(113.05971,18.73);(113.05971,18.73);(121.06479,8.94);(121.06479,8.94);(123.04406,14.69);(123.04406,14.69);(123.04406,14.69);(123.04406,14.69);(123.04406,14.69);(123.04406,14.69);(123.04406,14.69);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(125.05971,24.27);(135.04406,16.88);(135.04406,16.88);(135.04406,16.88);(135.04406,16.88);(135.04406,16.88);(135.04406,16.88);(137.05971,28.1);(137.05971,28.1);(137.05971,28.1);(137.05971,28.1);(137.05971,28.1);(137.05971,28.1);(137.05971,28.1);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(151.07536,12.09);(195.06519,11.67) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (41.00329,39.41);(59.01385,100.0);(195.06628,85.7);(195.06628,85.7);(195.06628,85.7);(195.06628,85.7);(195.06628,85.7);(195.06628,85.7);(195.06628,85.7) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,18.76);(59.01385,30.71);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(151.07645,9.44);(151.07645,9.44);(151.07645,9.44);(151.07645,9.44);(151.07645,9.44);(151.07645,9.44);(151.07645,9.44) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,48.2);(55.01894,6.74);(55.01894,6.74);(99.04515,7.99);(99.04515,7.99);(99.04515,7.99);(105.03459,8.22);(105.03459,8.22);(107.01385,10.08);(107.01385,10.08);(107.05024,5.76);(107.05024,5.76);(107.05024,5.76);(109.0295,8.72);(109.0295,8.72);(109.0295,8.72);(123.04515,13.23);(123.04515,13.23);(123.04515,13.23);(123.04515,13.23);(123.04515,13.23);(133.0295,30.37);(133.0295,30.37);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(147.04515,7.09);(147.04515,7.09);(147.04515,7.09);(147.04515,7.09);(149.0608,8.36);(149.0608,8.36);(149.0608,8.36);(161.02442,19.1);(161.02442,19.1);(161.02442,19.1);(193.05063,68.93) |
| 
