| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (94.04131312,2.391041976);(105.0334885,2.871845802);(106.0413131,3.200041328);(107.0491377,3.0476393);(121.0647869,1.593734033);(136.0518764,1.613683283);(137.059701,1.75985594);(138.0675256,1.841259203);(150.0675256,3.556764939);(151.0753502,4.199577283);(157.0647869,2.105180323);(185.059701,2.022120149);(186.0675256,1.675537573);(196.0518764,1.73071858);(198.0675256,2.814974691);(199.0753502,1.836031352);(200.0831748,2.367654779);(201.0909994,1.755176915);(211.0753502,2.131916418);(212.0831748,1.83165694);(213.0909994,3.185891998);(224.0831748,2.75306528);(225.0909994,3.67504968);(226.098824,4.688672946);(227.1066486,4.827623426);(228.1144732,2.944041698);(240.0780889,4.23187464);(241.0859135,9.29580153);(255.1015627,2.663818097);(256.1093873,13.01149078);(257.1127864,2.376259118) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,0.9914666044);(59.03115062,0.8191267334);(71.03115062,0.8568768241);(73.01041552,0.8886718678);(73.04679982,8.210572931);(74.04796012,0.702547824);(75.02606472,1.349971848);(89.04171392,0.7293700739);(163.0573631,0.6997305871);(178.0808369,0.7666894786);(179.0886615,0.9605994814);(197.0417139,0.814165276);(199.0573631,0.9289158154);(201.0730123,0.6994910613);(203.0886615,0.945895194);(215.0886615,0.9410226919);(215.1066486,0.8963359539);(225.0909994,1.572284168);(226.098824,0.8211929531);(227.1066486,3.627927406);(255.1015627,2.761899666);(256.1093873,2.889716329);(257.1172119,1.330788945);(283.114874,1.184935186);(298.1383478,0.9337612071);(312.1176127,2.032711918);(313.1254373,9.778844725);(314.1280845,2.507295463);(315.1266832,0.6864236);(327.1410865,0.7401321498);(328.1489111,2.315830724) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (94.04131312,1.381854156);(105.0334885,1.656736227);(106.0413131,1.849398904);(107.0491377,1.758149561);(121.0647869,0.9254160459);(136.0518764,0.9325954849);(137.059701,1.017073004);(138.0675256,1.064118367);(150.0675256,2.055560071);(151.0753502,2.422757387);(157.0647869,1.520316501);(185.059701,1.168643278);(186.0675256,0.9683429161);(198.0675256,1.548310566);(199.0753502,1.095700869);(200.0831748,1.179884697);(201.0909994,0.9937319477);(212.0831748,1.179591941);(213.0909994,1.052546488);(224.0831748,1.591078173);(225.0909994,2.123920335);(226.098824,2.709723318);(227.1066486,2.790026926);(228.1144732,1.701449116);(240.0780889,1.671169926);(241.0859135,5.053148236);(254.0937381,0.9486709822);(255.1015627,6.902576419);(256.1049595,1.25956637);(256.1093873,7.342157222);(257.1127864,1.340881559) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (91.05325,0.01501502);(103.0554,0.01001001);(105.07047,0.05805806);(107.05009,0.02102102);(108.05398,0.00500501);(111.04374,0.03403403);(113.06027,0.00600601);(119.04913,0.02002002);(119.05334,0.00800801);(120.05442,0.01501502);(121.02758,0.00700701);(121.06358,0.02702703);(133.06406,0.0950951);(134.06902,0.01301301);(135.04337,0.01401401);(135.07864,0.00700701);(137.05849,0.03503504);(138.06122,0.01101101);(145.06371,0.02302302);(148.05476,0.00900901);(149.05882,0.02002002);(150.06511,0.00700701);(151.07674,0.01001001);(152.0603,0.01301301);(153.06807,0.01501502);(154.08014,0.00800801);(157.06285,0.01001001);(159.07861,0.01501502);(164.08691,0.00500501);(165.06935,0.04604605);(166.07593,0.01801802);(169.09505,0.00600601);(171.07324,0.00600601);(176.0704,0.00600601);(177.06905,0.00700701);(179.08704,0.00700701);(181.0634,0.06406406);(182.07011,0.04904905);(183.0804,0.01201201);(184.05145,0.00600601);(194.07047,0.00800801);(195.075,0.01201201);(195.08176,0.00600601);(197.06116,0.00500501);(197.09474,0.01401401);(199.07411,0.02502503);(199.08307,0.01101101);(209.05684,0.00500501);(210.06131,0.01801802);(210.06851,0.03703704);(211.07469,0.03003003);(213.08302,0.00600601);(224.08313,0.00800801);(224.09381,0.01201201);(225.08893,0.04604605);(226.09549,0.01801802);(226.10481,0.01601602);(229.1201,0.00800801);(239.10904,0.00800801);(241.08189,0.00800801);(242.09749,0.04304304);(243.09653,0.00900901);(255.09497,0.01201201);(256.10919,0.04804805);(257.11725,1.0);(257.16382,0.01101101) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (77.03717,0.00700701);(91.0531,0.03203203);(92.05664,0.00700701);(103.0539,0.00600601);(105.06944,0.04604605);(106.07404,0.00600601);(107.04746,0.02102102);(111.0434,0.02602603);(119.03901,0.00800801);(119.04845,0.03103103);(121.06255,0.01801802);(131.04831,0.00600601);(133.06522,0.10510511);(134.0625,0.00600601);(134.07001,0.01501502);(135.04164,0.00800801);(135.07578,0.01301301);(137.05257,0.00700701);(137.06018,0.03603604);(138.06541,0.00900901);(145.06593,0.01701702);(146.07356,0.00700701);(149.05731,0.03303303);(151.05159,0.00500501);(151.07269,0.01201201);(152.05994,0.01701702);(153.05951,0.00700701);(153.06671,0.01701702);(154.07651,0.00600601);(155.08774,0.01001001);(159.08279,0.01701702);(163.0735,0.01101101);(165.06624,0.04404404);(165.07883,0.01101101);(166.07246,0.01501502);(166.08206,0.01301301);(167.08101,0.00600601);(169.06355,0.00600601);(171.07866,0.02202202);(176.0594,0.00600601);(178.07747,0.00600601);(181.0574,0.01801802);(181.06522,0.05305305);(182.07167,0.03703704);(183.07883,0.02202202);(184.04289,0.00500501);(193.06508,0.01001001);(194.06544,0.00700701);(197.0553,0.00800801);(197.09666,0.01301301);(199.07384,0.02002002);(209.05458,0.00700701);(209.09619,0.00600601);(210.06573,0.03503504);(211.06412,0.00600601);(211.07578,0.02602603);(212.04445,0.00500501);(212.08101,0.00600601);(213.09308,0.00900901);(224.08856,0.01601602);(225.09276,0.04704705);(226.09613,0.04404404);(227.07587,0.02002002);(227.10661,0.01301301);(239.10759,0.00800801);(241.08229,0.00700701);(241.09322,0.00600601);(242.09311,0.05105105);(243.10437,0.00600601);(255.09947,0.00800801);(256.10846,0.07907908);(257.11639,1.0);(257.16556,0.00600601) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (91.05288,0.01501502);(103.05611,0.00700701);(105.06927,0.04704705);(107.05087,0.01101101);(111.04496,0.01301301);(119.04734,0.02702703);(121.03049,0.01301301);(121.06509,0.02702703);(133.06415,0.09009009);(135.04239,0.00900901);(135.07808,0.00500501);(135.08282,0.01701702);(137.05466,0.00800801);(137.06203,0.01501502);(138.06219,0.00700701);(139.07666,0.00500501);(141.06532,0.01301301);(145.06778,0.01301301);(148.05234,0.00700701);(149.05995,0.01801802);(150.06474,0.00700701);(151.07477,0.01901902);(152.06334,0.01101101);(153.06789,0.02402402);(154.07552,0.01301301);(155.08826,0.00900901);(157.06358,0.01301301);(159.07968,0.00900901);(163.07303,0.00500501);(164.07999,0.00800801);(165.06897,0.05305305);(166.07323,0.00800801);(167.08963,0.00600601);(168.0549,0.00700701);(171.0795,0.01601602);(179.08377,0.01501502);(179.09384,0.00500501);(181.06563,0.07307307);(182.06735,0.02202202);(182.07597,0.01801802);(183.07596,0.01201201);(183.08698,0.00700701);(187.07733,0.00700701);(193.06387,0.01401401);(194.07489,0.00800801);(195.08342,0.00700701);(197.0591,0.01301301);(197.0981,0.01301301);(198.09801,0.00500501);(199.07372,0.02202202);(200.08224,0.00600601);(207.07446,0.00800801);(209.06213,0.00600601);(210.06732,0.03803804);(211.07278,0.04004004);(211.08301,0.01701702);(212.07518,0.00600601);(213.09274,0.01201201);(224.08701,0.01001001);(225.08293,0.01701702);(225.09404,0.02602603);(226.09766,0.03003003);(227.07071,0.00900901);(227.10204,0.00500501);(228.07784,0.00900901);(239.10435,0.01501502);(242.08586,0.02402402);(242.09798,0.03303303);(243.09485,0.01201201);(255.09798,0.01001001);(255.10712,0.01401401);(256.10242,0.02902903);(256.10944,0.07107107);(257.11716,1.0);(257.16577,0.00800801) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (55.01796,0.02102102);(56.03799,0.00600601);(63.20478,0.00600601);(64.51773,0.00700701);(66.04079,0.00800801);(68.99109,0.00800801);(77.03296,0.02102102);(77.03867,0.04604605);(79.02107,0.01101101);(79.04076,0.00700701);(79.05409,0.04604605);(79.0593,0.02002002);(85.02795,0.01001001);(91.05103,0.21321321);(91.05663,0.13413413);(91.6584,0.00600601);(92.05968,0.03203203);(92.91655,0.00700701);(93.02849,0.00700701);(94.03027,0.00800801);(95.04903,0.00700701);(95.08081,0.00700701);(99.04005,0.00700701);(101.1035,0.00600601);(102.04372,0.00700701);(103.05458,0.21321321);(104.05874,0.01401401);(105.0284,0.01401401);(105.03368,0.00700701);(105.06726,0.1981982);(105.07222,0.27527528);(105.13444,0.00700701);(106.06355,0.01301301);(106.06964,0.02102102);(106.07494,0.03503504);(106.95941,0.00700701);(107.03548,0.00600601);(107.04865,0.21621622);(108.04649,0.01001001);(108.05691,0.03103103);(108.36009,0.00700701);(109.03271,0.00600601);(109.06446,0.07207207);(109.07314,0.00800801);(109.61234,0.00600601);(110.03889,0.00800801);(111.03933,0.00700701);(111.05003,0.01101101);(113.04532,0.00600601);(115.05121,0.01501502);(116.0499,0.00600601);(117.06164,0.01401401);(117.06834,0.01401401);(118.04029,0.04804805);(119.04848,0.16516517);(120.05826,0.09409409);(121.02843,0.13113113);(121.03976,0.00900901);(121.05025,0.02002002);(121.06409,0.31631632);(121.59663,0.01201201);(122.03222,0.01601602);(122.03955,0.00900901);(122.0685,0.01801802);(123.03687,0.00800801);(123.0471,0.00700701);(123.06575,0.00800801);(123.0899,0.00900901);(124.04844,0.01601602);(124.05772,0.01401401);(124.08024,0.00800801);(124.18987,0.01301301);(125.05039,0.01901902);(125.05518,0.00800801);(126.07361,0.01001001);(127.04754,0.01501502);(127.05496,0.02102102);(128.06413,0.03903904);(129.06902,0.00700701);(129.32481,0.00600601);(130.04475,0.00600601);(131.04889,0.03403403);(131.08414,0.01101101);(132.04994,0.00800801);(133.0152,0.00800801);(133.03137,0.05805806);(133.05406,0.02202202);(133.06552,0.16716717);(134.0304,0.00800801);(134.04019,0.01801802);(135.04358,0.04404404);(135.06511,0.00700701);(135.0778,0.12912913);(136.07558,0.01401401);(137.05933,0.16816817);(137.07162,0.01201201);(138.05174,0.01001001);(138.06097,0.03803804);(138.06924,0.08708709);(138.39586,0.01301301);(139.07309,0.00900901);(141.06805,0.09109109);(141.07994,0.04104104);(142.07379,0.01101101);(142.08769,0.00900901);(143.0863,0.04904905);(143.52495,0.00800801);(144.08374,0.00600601);(144.0925,0.01101101);(145.03326,0.00600601);(145.0562,0.01001001);(145.06702,0.04304304);(146.59509,0.00700701);(147.03568,0.00800801);(147.04448,0.00800801);(147.82648,0.00800801);(148.05244,0.05305305);(149.02496,0.01201201);(149.03575,0.00600601);(149.04889,0.02102102);(149.06262,0.19119119);(150.05661,0.03003003);(150.0665,0.02902903);(151.03828,0.00600601);(151.05339,0.03403403);(151.06969,0.02002002);(151.07817,0.02502503);(151.78595,0.00600601);(152.05038,0.01401401);(152.06071,0.09309309);(152.0697,0.02102102);(152.95305,0.00700701);(153.06111,0.03103103);(153.06822,0.15915916);(153.07881,0.02302302);(154.06607,0.01701702);(154.07864,0.1041041);(154.09137,0.00600601);(155.04192,0.00900901);(155.04927,0.00700701);(155.08102,0.05805806);(155.09096,0.01601602);(155.09882,0.00700701);(155.10791,0.00700701);(156.05812,0.01101101);(156.08057,0.01701702);(157.0607,0.04704705);(157.06885,0.03303303);(157.14703,0.00700701);(158.06911,0.01401401);(159.07619,0.01401401);(160.08246,0.00600601);(161.06424,0.01701702);(162.06142,0.00700701);(162.54164,0.00700701);(163.02589,0.00700701);(163.05283,0.00700701);(163.06094,0.00800801);(163.06905,0.00700701);(163.07509,0.00900901);(164.04199,0.00600601);(164.05548,0.01801802);(164.06451,0.05905906);(164.97644,0.00700701);(165.07024,0.6976977);(166.05754,0.01201201);(166.06828,0.06206206);(166.07755,0.1951952);(167.04396,0.01001001);(167.08609,0.13513514);(167.93056,0.00600601);(168.05768,0.00600601);(168.06425,0.00900901);(168.0858,0.02502503);(168.74718,0.00900901);(169.04848,0.00900901);(169.06503,0.06406406);(169.08047,0.00800801);(169.09079,0.01901902);(169.1039,0.02202202);(169.72878,0.01101101);(170.0625,0.00900901);(170.07434,0.00900901);(171.04317,0.00700701);(171.05376,0.00900901);(171.07329,0.10510511);(171.08392,0.07107107);(172.07664,0.00700701);(172.08969,0.00700701);(173.05058,0.00700701);(174.07127,0.00600601);(176.06865,0.03403403);(177.05643,0.01701702);(177.07219,0.07707708);(178.06902,0.06206206);(178.07724,0.11211211);(179.08528,0.10610611);(179.10594,0.00700701);(180.0612,0.00700701);(180.08823,0.01501502);(180.92679,0.00800801);(181.03157,0.01401401);(181.04388,0.02002002);(181.06529,1.0);(181.38721,0.00700701);(181.41235,0.00600601);(182.04256,0.00700701);(182.07115,0.43543544);(182.09105,0.01101101);(182.51907,0.00800801);(183.06583,0.03303303);(183.07799,0.11611612);(183.08791,0.08208208);(183.52127,0.00900901);(184.07129,0.00700701);(184.08136,0.03003003);(184.09045,0.00800801);(185.05595,0.02002002);(185.06299,0.02002002);(185.08632,0.00900901);(185.10773,0.00700701);(186.05675,0.00900901);(186.16437,0.00700701);(186.82077,0.00900901);(187.05737,0.00900901);(187.07204,0.02802803);(187.08121,0.01701702);(188.08929,0.00700701);(189.0695,0.00900901);(189.08066,0.01401401);(189.09601,0.00800801);(192.0594,0.00800801);(192.06731,0.00600601);(193.06781,0.1001001);(194.04286,0.00900901);(194.07092,0.24424424);(194.08084,0.04204204);(195.04289,0.00700701);(195.05124,0.00600601);(195.0764,0.10610611);(195.08585,0.03203203);(196.07866,0.00600601);(196.0923,0.02402402);(197.04004,0.00900901);(197.06119,0.11611612);(197.08893,0.03103103);(197.10269,0.05205205);(198.04718,0.00700701);(198.06862,0.01701702);(198.07863,0.00900901);(198.09633,0.02002002);(199.05391,0.02302302);(199.07567,0.38138138);(200.0677,0.00700701);(200.07947,0.05105105);(201.07947,0.01301301);(201.08794,0.04904905);(201.09917,0.01401401);(205.06512,0.00800801);(206.06755,0.01401401);(207.07379,0.01201201);(207.08414,0.03303303);(208.08775,0.02402402);(208.10884,0.01201201);(209.05783,0.12712713);(209.07564,0.00700701);(209.09036,0.01401401);(209.09978,0.01601602);(209.34172,0.00600601);(209.505,0.01001001);(210.04535,0.01101101);(210.06863,0.4004004);(210.09377,0.00700701);(211.0742,0.61561562);(212.08253,0.06706707);(213.05766,0.00900901);(213.07098,0.01401401);(213.08536,0.11811812);(213.09969,0.05205205);(214.09235,0.02502503);(214.10214,0.02202202);(215.09796,0.00600601);(215.10677,0.00700701);(216.08997,0.01101101);(221.9362,0.00700701);(223.07544,0.00600601);(224.08699,0.06006006);(225.06157,0.01601602);(225.07727,0.02502503);(225.09163,0.21021021);(226.06078,0.01001001);(226.07846,0.02302302);(226.09875,0.15715716);(226.11591,0.02102102);(226.75874,0.00800801);(227.05649,0.04504505);(227.07187,0.21821822);(227.08949,0.01101101);(227.10245,0.03803804);(228.06947,0.03403403);(228.086,0.01701702);(228.09441,0.00800801);(229.07784,0.00700701);(229.10295,0.00800801);(233.38481,0.00800801);(239.11501,0.00700701);(240.0836,0.02002002);(241.08502,0.20920921);(242.06747,0.00600601);(242.09468,0.25925926);(242.34579,0.00900901);(243.09009,0.02402402);(243.10133,0.02402402);(243.11325,0.00700701);(244.10239,0.00600601);(245.08731,0.00700701);(250.59676,0.01001001);(254.09676,0.00800801);(255.08037,0.00600601);(256.11398,0.01401401);(257.12292,0.00700701) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (65.03999,0.05705706);(75.02646,0.01101101);(77.02925,0.01101101);(77.03927,0.11511512);(78.04129,0.01301301);(79.0506,0.04304304);(85.0261,0.01501502);(90.04611,0.04804805);(90.65792,0.01001001);(91.05306,0.11311311);(91.05724,0.07707708);(91.06752,0.01501502);(91.48104,0.01201201);(92.02663,0.01601602);(92.05845,0.01201201);(93.03082,0.01201201);(102.0518,0.01501502);(103.05631,0.07207207);(104.0608,0.01301301);(105.02868,0.03303303);(105.03159,0.01301301);(105.04209,0.01101101);(105.06298,0.01401401);(105.07126,0.05005005);(106.04481,0.01001001);(107.05037,0.18018018);(113.03693,0.01401401);(115.05381,0.16816817);(115.06458,0.01601602);(116.05078,0.01801802);(116.0583,0.03603604);(117.06951,0.01501502);(118.03736,0.01801802);(118.04411,0.01101101);(119.03889,0.01501502);(119.04964,0.05605606);(120.06448,0.01601602);(121.03098,0.02702703);(121.05843,0.01901902);(121.06551,0.02702703);(123.04113,0.01001001);(126.04968,0.01201201);(127.05418,0.15015015);(128.0545,0.03803804);(128.06325,0.26926927);(129.0683,0.04304304);(130.03973,0.01401401);(131.04553,0.04604605);(133.02408,0.04104104);(133.05641,0.01201201);(134.03819,0.01701702);(139.00328,0.01301301);(139.05403,0.06206206);(139.06126,0.01301301);(140.04674,0.02102102);(140.067,0.02302302);(141.0701,0.13213213);(141.08081,0.00900901);(141.29324,0.01601602);(142.0406,0.03103103);(142.07089,0.02202202);(143.04181,0.01201201);(143.05159,0.01201201);(143.09024,0.01601602);(144.04964,0.01501502);(144.05792,0.03803804);(150.0602,0.01601602);(151.05592,0.09109109);(151.15204,0.01301301);(152.02733,0.01201201);(152.06218,1.0);(152.07776,0.01501502);(153.06993,0.61861862);(154.07231,0.11311311);(155.04625,0.04404404);(155.08685,0.01001001);(155.09445,0.01001001);(156.05296,0.01801802);(157.04996,0.01501502);(157.06401,0.0990991);(157.60712,0.01001001);(159.08763,0.01501502);(163.04996,0.03403403);(163.05827,0.02702703);(164.05206,0.06806807);(164.06119,0.12712713);(165.03508,0.03003003);(165.06779,0.57757758);(166.0677,0.04604605);(166.07684,0.07307307);(166.08775,0.01401401);(167.04651,0.01401401);(167.08896,0.01201201);(169.06047,0.06006006);(169.07338,0.01201201);(170.06718,0.01301301);(170.0753,0.01301301);(171.04175,0.01101101);(171.04993,0.01401401);(171.07684,0.04004004);(176.06117,0.06506507);(177.06381,0.03703704);(178.0752,0.06306306);(178.08167,0.02102102);(178.58537,0.01201201);(181.03566,0.01601602);(181.05702,0.13113113);(181.06461,0.43243243);(182.0462,0.02402402);(182.05255,0.01401401);(182.07013,0.0970971);(183.07196,0.02902903);(183.07895,0.01601602);(184.04221,0.03003003);(184.07397,0.01001001);(191.04202,0.01201201);(193.06635,0.01101101);(194.06743,0.04004004);(195.06677,0.02002002);(197.05205,0.01601602);(198.06065,0.03403403);(198.06996,0.05405405);(207.08978,0.01201201);(209.0573,0.01701702);(209.06789,0.01601602);(210.07068,0.03703704);(211.01666,0.01301301);(211.07841,0.01201201);(212.07346,0.01101101);(226.06137,0.02602603) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (133.06456,0.00700701);(225.09605,0.00500501);(256.10977,0.06506507);(257.11707,1.0);(257.16327,0.00800801) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (256.10825,0.06206206);(257.1163,1.0);(257.16168,0.01201201) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (55.66029,0.00900901);(58.59237,0.00900901);(68.99278,0.00900901);(77.03902,0.04004004);(78.04759,0.01401401);(79.05308,0.07907908);(79.05688,0.04504505);(81.51376,0.01901902);(83.05119,0.02002002);(83.86793,0.01101101);(84.96017,0.00900901);(91.03796,0.00900901);(91.05265,0.32432432);(92.02928,0.01501502);(92.05826,0.01701702);(92.06394,0.02602603);(93.0686,0.01101101);(95.04745,0.02302302);(96.21359,0.01801802);(103.048,0.05705706);(103.05507,0.16016016);(104.02978,0.01201201);(104.05278,0.01201201);(104.71998,0.00900901);(105.02885,0.03203203);(105.0379,0.01001001);(105.0464,0.01001001);(105.06517,0.17917918);(105.07148,0.31431431);(106.03805,0.03603604);(106.06182,0.00900901);(106.06886,0.02102102);(107.04951,0.32132132);(108.0455,0.00900901);(108.05404,0.01301301);(108.06053,0.01101101);(109.06294,0.05605606);(110.06658,0.01501502);(111.04068,0.02002002);(111.04987,0.01201201);(112.05321,0.00900901);(115.05862,0.02902903);(116.05421,0.01001001);(117.07445,0.00900901);(118.02011,0.01301301);(118.03122,0.01901902);(118.04461,0.01101101);(119.03371,0.01201201);(119.05006,0.23723724);(120.05407,0.09109109);(121.02724,0.07507508);(121.03672,0.02302302);(121.06494,0.38038038);(122.03168,0.01101101);(122.03751,0.02202202);(123.04163,0.03803804);(123.04991,0.00900901);(123.0777,0.03103103);(124.03004,0.01101101);(124.04482,0.01601602);(124.05183,0.08008008);(125.05438,0.01101101);(127.05289,0.03303303);(129.07568,0.03003003);(131.04471,0.03203203);(131.05304,0.03403403);(131.08305,0.01001001);(131.93713,0.01001001);(132.052,0.02402402);(133.01567,0.01101101);(133.02625,0.09209209);(133.03322,0.03203203);(133.06421,0.26026026);(133.07346,0.03003003);(133.09143,0.01301301);(134.02695,0.03703704);(134.03513,0.02102102);(134.06274,0.02102102);(134.07059,0.04004004);(135.04007,0.03103103);(135.05376,0.00900901);(135.07112,0.04604605);(135.07907,0.1011011);(136.03488,0.00900901);(136.05154,0.01801802);(137.05022,0.03303303);(137.05688,0.07707708);(137.06244,0.14414414);(138.06729,0.08108108);(140.06563,0.01501502);(140.0788,0.00900901);(141.06241,0.03403403);(141.07507,0.01401401);(142.04236,0.02602603);(143.04962,0.01101101);(143.07874,0.03703704);(143.09055,0.02702703);(143.25714,0.01301301);(144.04927,0.01101101);(144.05798,0.03203203);(145.06107,0.02502503);(145.06917,0.04104104);(146.07257,0.01701702);(148.05125,0.11411411);(149.05765,0.28428428);(149.08568,0.01401401);(150.05939,0.02202202);(150.0717,0.00900901);(151.05426,0.03703704);(151.07338,0.05805806);(152.05565,0.04104104);(152.06728,0.04304304);(152.07735,0.02602603);(153.06773,0.32332332);(154.07458,0.17717718);(154.14246,0.01101101);(155.0744,0.02302302);(155.08369,0.05605606);(156.06456,0.01401401);(156.08765,0.02102102);(157.06465,0.11711712);(159.07617,0.04804805);(159.08966,0.01301301);(161.05307,0.01201201);(161.95584,0.01301301);(162.12881,0.00900901);(163.07423,0.01301301);(164.04721,0.00900901);(164.06175,0.05505506);(164.07643,0.02702703);(164.08574,0.05105105);(165.04955,0.01101101);(165.07007,0.8008008);(165.52068,0.00900901);(166.05479,0.00900901);(166.0713,0.10510511);(166.07893,0.02702703);(167.04869,0.01101101);(167.08139,0.04604605);(167.09682,0.01401401);(168.05815,0.03203203);(168.09029,0.02702703);(168.10559,0.01401401);(169.05203,0.01101101);(169.07327,0.01901902);(170.06616,0.04804805);(170.07674,0.06106106);(171.04442,0.01001001);(171.056,0.00900901);(171.06911,0.03603604);(171.08073,0.13013013);(171.08673,0.04904905);(171.09824,0.01101101);(172.08965,0.01101101);(172.31541,0.02202202);(174.06801,0.01201201);(176.05841,0.01101101);(176.06685,0.01001001);(176.12886,0.01101101);(176.25999,0.01501502);(177.0619,0.02702703);(177.07201,0.09109109);(177.13254,0.01901902);(178.06934,0.07207207);(178.08049,0.10710711);(179.07274,0.02502503);(179.08812,0.06206206);(180.04578,0.00900901);(180.05589,0.01301301);(180.08371,0.01101101);(181.04936,0.07207207);(181.06531,1.0);(181.81024,0.01301301);(182.06795,0.27627628);(182.07629,0.2962963);(183.08084,0.28228228);(184.04602,0.00900901);(184.05374,0.01501502);(184.0862,0.11111111);(184.81746,0.01201201);(185.05072,0.02402402);(185.06383,0.08008008);(185.09378,0.02802803);(187.08669,0.00900901);(189.02927,0.00900901);(189.73528,0.01901902);(190.07393,0.02102102);(191.04338,0.00900901);(191.18137,0.00900901);(192.05449,0.05005005);(192.06772,0.01001001);(193.05901,0.06606607);(193.06851,0.05405405);(194.03688,0.01501502);(194.07159,0.23223223);(195.05708,0.01101101);(195.07034,0.05505506);(195.08206,0.18718719);(195.08858,0.06406406);(196.05788,0.00900901);(196.077,0.02402402);(197.05978,0.04804805);(197.06863,0.01301301);(197.08888,0.05905906);(197.10349,0.04704705);(198.06247,0.04404404);(198.07828,0.02102102);(198.10728,0.02002002);(198.81239,0.00900901);(198.9516,0.01001001);(199.07545,0.42342342);(200.07545,0.01401401);(200.08473,0.06206206);(200.79736,0.00900901);(201.2282,0.01501502);(202.07607,0.00900901);(207.06758,0.01501502);(208.08463,0.03803804);(208.99135,0.01401401);(209.04532,0.01201201);(209.06085,0.13913914);(210.00534,0.00900901);(210.04594,0.03003003);(210.06381,0.35035035);(210.07585,0.16216216);(210.10631,0.00900901);(211.02762,0.00900901);(211.07692,0.91291291);(211.10645,0.01201201);(212.01468,0.01101101);(212.0444,0.01101101);(212.07762,0.07207207);(212.08833,0.08508509);(212.82635,0.01101101);(213.09282,0.20820821);(214.08786,0.01001001);(214.52742,0.01201201);(216.38132,0.00900901);(223.08478,0.01801802);(224.08154,0.03503504);(224.12186,0.01101101);(225.05034,0.00900901);(225.07195,0.02602603);(225.09367,0.29029029);(226.06737,0.01801802);(226.10226,0.22022022);(227.02518,0.01301301);(227.03879,0.00900901);(227.06725,0.26326326);(227.10023,0.05305305);(228.0554,0.02202202);(228.07191,0.03503504);(228.08307,0.03603604);(228.09964,0.00900901);(229.07426,0.01101101);(229.08757,0.01501502);(240.07269,0.04804805);(240.16672,0.00900901);(241.08647,0.16516517);(241.98112,0.01501502);(242.07961,0.02702703);(242.08905,0.12012012);(242.10329,0.10910911);(243.09682,0.04904905);(255.07875,0.01101101);(256.11969,0.02302302);(257.11877,0.08508509);(257.12784,0.02302302) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (51.02621,0.02102102);(68.99291,0.01801802);(75.02341,0.02202202);(77.03965,0.1981982);(78.04314,0.02102102);(78.04736,0.02702703);(79.05155,0.01701702);(89.03807,0.02302302);(90.00446,0.01701702);(91.04218,0.01701702);(91.05579,0.15515516);(92.02701,0.02902903);(93.02976,0.04104104);(94.04126,0.02402402);(98.04264,0.01901902);(102.03973,0.02302302);(103.0516,0.09409409);(103.88901,0.02602603);(105.03009,0.02102102);(105.06931,0.04904905);(105.07467,0.05905906);(107.03564,0.02802803);(107.05192,0.04404404);(108.05082,0.04604605);(114.0456,0.01801802);(115.05453,0.14714715);(118.03856,0.05005005);(118.0481,0.02002002);(119.05353,0.03603604);(120.06387,0.02602603);(121.02233,0.01701702);(121.0314,0.02602603);(121.06016,0.04004004);(121.06967,0.01901902);(127.04781,0.05305305);(127.05611,0.2012012);(128.04871,0.03003003);(128.0605,0.46246246);(128.07503,0.06106106);(129.05757,0.01801802);(129.06841,0.11611612);(131.05243,0.08208208);(133.0648,0.02202202);(134.03424,0.02002002);(139.0565,0.01701702);(140.06384,0.05905906);(140.96071,0.02202202);(141.07072,0.16216216);(142.03546,0.02202202);(142.07297,0.02602603);(143.08853,0.02002002);(144.05058,0.04404404);(144.05464,0.01801802);(144.09154,0.01901902);(145.05525,0.01801802);(150.04895,0.04004004);(151.00119,0.01901902);(151.04729,0.02602603);(151.05612,0.06506507);(152.04362,0.02002002);(152.06165,0.87187187);(152.09439,0.02402402);(153.06975,0.66166166);(153.07582,0.17617618);(153.82858,0.02102102);(154.06271,0.05405405);(154.07253,0.0970971);(154.08676,0.04204204);(155.07663,0.02402402);(155.08746,0.04704705);(156.05164,0.01701702);(156.05817,0.02402402);(156.08485,0.02002002);(157.06183,0.05905906);(158.06334,0.02002002);(163.04753,0.02302302);(163.05765,0.06806807);(164.05551,0.02102102);(164.06042,0.06106106);(164.06761,0.03703704);(165.04524,0.02102102);(165.05342,0.04704705);(165.07018,1.0);(165.5343,0.02602603);(166.06401,0.02102102);(166.07669,0.06006006);(167.07895,0.03703704);(168.05316,0.04504505);(169.05479,0.01701702);(169.06729,0.01801802);(170.07051,0.09209209);(170.08322,0.03703704);(171.07864,0.1031031);(171.08604,0.05905906);(176.06064,0.06506507);(177.07863,0.03203203);(178.07544,0.1011011);(179.0777,0.02002002);(180.04855,0.03603604);(181.03577,0.03803804);(181.06506,0.75975976);(181.13133,0.02102102);(182.07005,0.10710711);(182.35626,0.01801802);(183.06854,0.02102102);(183.08466,0.02802803);(184.04053,0.05905906);(192.05489,0.01901902);(193.8732,0.01801802);(195.05234,0.02102102);(195.07928,0.05905906);(197.05516,0.03403403);(200.08865,0.01701702);(203.73495,0.03903904);(209.10025,0.01701702);(210.05125,0.02102102);(210.06911,0.02402402);(211.03717,0.03303303);(212.08173,0.01701702);(213.06052,0.02102102);(246.90619,0.03103103);(253.5484,0.02702703);(254.04898,0.02002002) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (111.04147,0.00600601);(133.06416,0.00800801);(225.08835,0.00600601);(256.1091,0.08108108);(257.11673,1.0);(257.16177,0.01801802) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (55.01909,0.01501502);(56.02074,0.02002002);(65.03667,0.01501502);(65.04109,0.01201201);(67.05267,0.01801802);(77.03897,0.04804805);(77.42831,0.01301301);(79.06096,0.01301301);(89.03587,0.05805806);(90.04791,0.03003003);(91.0426,0.01501502);(91.05453,0.10910911);(92.02888,0.01201201);(92.04654,0.01201201);(93.02888,0.01701702);(93.03537,0.07407407);(99.00185,0.02902903);(101.0394,0.01201201);(103.05433,0.02602603);(104.05915,0.03203203);(105.03619,0.01301301);(107.01625,0.01701702);(107.0489,0.0950951);(115.04259,0.01201201);(115.05054,0.03103103);(115.0574,0.06806807);(116.05917,0.03003003);(116.06442,0.01501502);(118.03916,0.02202202);(118.04414,0.01201201);(118.07339,0.01301301);(119.04733,0.01501502);(121.02581,0.02702703);(121.0651,0.01501502);(124.05147,0.01301301);(125.03725,0.01401401);(127.05083,0.05005005);(127.05915,0.01501502);(128.02429,0.02002002);(128.0601,0.16616617);(128.07085,0.02702703);(129.06941,0.08708709);(130.07007,0.01301301);(131.04317,0.01801802);(132.04303,0.01501502);(133.0244,0.05405405);(134.03354,0.02002002);(135.0408,0.01301301);(139.04668,0.01201201);(139.05515,0.04404404);(141.07085,0.09009009);(142.04022,0.02102102);(142.08189,0.02602603);(143.07611,0.01901902);(144.05447,0.02302302);(144.06171,0.01501502);(144.08821,0.01501502);(147.0441,0.01201201);(150.05061,0.01501502);(151.05008,0.15115115);(151.05832,0.12712713);(152.06064,1.0);(152.10449,0.01501502);(153.06766,0.44744745);(153.09651,0.01801802);(154.06378,0.01601602);(154.0714,0.05305305);(154.08394,0.01501502);(154.93871,0.01601602);(155.04596,0.04504505);(155.07379,0.02002002);(156.05278,0.05005005);(157.0654,0.12412412);(158.07349,0.03603604);(163.05518,0.03103103);(163.06342,0.01201201);(164.06378,0.12512513);(165.04828,0.01301301);(165.06935,0.42842843);(166.07494,0.05005005);(168.05089,0.03003003);(168.06607,0.01701702);(170.06425,0.05305305);(170.07812,0.02802803);(171.07729,0.01201201);(173.94565,0.01301301);(175.04778,0.01601602);(176.06171,0.08108108);(178.05504,0.02902903);(178.07707,0.09009009);(179.0703,0.01501502);(179.08939,0.01301301);(179.43384,0.01401401);(181.04358,0.01501502);(181.0495,0.01801802);(181.06635,0.50650651);(182.06836,0.10710711);(183.06795,0.02402402);(183.08162,0.01501502);(183.10774,0.01501502);(184.04912,0.02302302);(184.07954,0.01201201);(185.05794,0.01901902);(193.07115,0.02702703);(194.06909,0.03103103);(195.05785,0.02002002);(195.08641,0.01201201);(196.06003,0.01601602);(197.04857,0.01301301);(197.05911,0.04804805);(198.06171,0.01601602);(209.06085,0.01501502);(210.06276,0.01501502);(210.08067,0.01601602);(211.07245,0.01601602);(226.06351,0.01401401) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (52.98634,0.00800801);(55.02081,0.01101101);(68.99757,0.01001001);(77.03687,0.02102102);(77.04144,0.01801802);(77.04701,0.01101101);(77.93834,0.01301301);(78.16628,0.00900901);(79.048,0.00900901);(79.05521,0.03003003);(85.03152,0.01501502);(89.04079,0.01001001);(90.04967,0.00800801);(91.00492,0.01701702);(91.05348,0.25325325);(92.02686,0.01101101);(92.05235,0.01301301);(92.06019,0.00900901);(93.03469,0.00800801);(95.04473,0.01101101);(99.04813,0.00900901);(102.04563,0.01101101);(103.02985,0.01001001);(103.05354,0.2012012);(104.71858,0.00800801);(105.02975,0.00800801);(105.07052,0.41941942);(106.06342,0.00900901);(106.07189,0.01001001);(106.08054,0.00900901);(107.04148,0.03703704);(107.04774,0.14414414);(107.05352,0.04604605);(108.05363,0.06006006);(108.06128,0.00900901);(108.57135,0.01101101);(109.06013,0.01001001);(111.04347,0.00800801);(115.04868,0.00800801);(115.05502,0.02802803);(116.05611,0.00800801);(117.07007,0.03203203);(118.02135,0.01301301);(118.04218,0.00900901);(119.04379,0.07207207);(119.05113,0.13613614);(120.0491,0.01201201);(120.05821,0.05705706);(121.02861,0.16316316);(121.065,0.21321321);(121.62379,0.01501502);(122.03295,0.02202202);(122.03692,0.00900901);(122.06888,0.03103103);(123.04458,0.02002002);(123.06997,0.01201201);(124.05228,0.03803804);(124.07086,0.00800801);(125.0615,0.00800801);(127.05533,0.06306306);(127.07471,0.01301301);(128.05238,0.01501502);(128.06137,0.01801802);(129.06308,0.03203203);(130.08014,0.01001001);(131.04784,0.05405405);(131.08032,0.01001001);(131.08676,0.01001001);(132.05432,0.00800801);(132.05978,0.01901902);(132.13956,0.00800801);(133.02014,0.00800801);(133.02901,0.07707708);(133.06017,0.04904905);(133.06941,0.1011011);(134.02609,0.01601602);(134.07074,0.01701702);(134.07834,0.00900901);(135.02707,0.01001001);(135.03607,0.00800801);(135.04379,0.03003003);(135.06715,0.01001001);(135.07883,0.08408408);(135.08531,0.02302302);(135.83472,0.00800801);(136.0464,0.01401401);(136.08205,0.01901902);(136.3645,0.00800801);(137.05956,0.06306306);(138.06447,0.1041041);(139.05693,0.00900901);(139.07401,0.04804805);(140.08263,0.00800801);(140.91284,0.01201201);(141.06833,0.01801802);(141.07407,0.05405405);(143.08084,0.01801802);(143.08768,0.01301301);(144.05856,0.00900901);(145.03308,0.00900901);(145.06659,0.02802803);(148.04489,0.00900901);(148.05461,0.02802803);(149.05693,0.04804805);(150.03119,0.01201201);(150.04358,0.00900901);(150.05847,0.00900901);(151.0322,0.00800801);(151.05634,0.02702703);(151.07245,0.04704705);(151.08023,0.02502503);(152.03403,0.01601602);(152.0614,0.05305305);(152.82953,0.01201201);(153.0461,0.00800801);(153.05501,0.01101101);(153.06892,0.1971972);(154.07678,0.16016016);(155.08763,0.07307307);(156.05321,0.02002002);(156.09422,0.01301301);(156.49811,0.00800801);(157.06584,0.0970971);(157.66838,0.01301301);(158.06554,0.01101101);(158.0748,0.01201201);(159.05032,0.00800801);(159.07635,0.04404404);(159.08461,0.04604605);(160.0715,0.00900901);(160.49359,0.01401401);(161.36319,0.01001001);(162.06796,0.01101101);(164.06653,0.04004004);(164.07964,0.01201201);(164.38474,0.00900901);(164.44585,0.00800801);(164.47685,0.01301301);(164.7542,0.01301301);(165.02594,0.01101101);(165.04274,0.00900901);(165.06993,0.71571572);(165.2117,0.00800801);(165.52263,0.00900901);(165.55902,0.00800801);(166.07426,0.13713714);(166.19756,0.01101101);(166.62489,0.00900901);(167.07919,0.06106106);(167.08766,0.07707708);(168.05191,0.00800801);(168.08646,0.01201201);(168.09633,0.00800801);(169.05652,0.02402402);(169.07191,0.01701702);(170.06609,0.00800801);(170.07571,0.02902903);(171.05247,0.01801802);(171.08041,0.16216216);(172.07613,0.00900901);(172.09334,0.01101101);(174.06197,0.01601602);(176.0562,0.03003003);(177.05545,0.01701702);(177.07457,0.07307307);(178.07156,0.05305305);(178.07939,0.08608609);(179.08537,0.12012012);(180.0446,0.00800801);(180.05911,0.01601602);(181.06496,1.0);(182.03801,0.00900901);(182.07082,0.49449449);(183.07838,0.32332332);(183.25893,0.00900901);(184.0533,0.01001001);(184.07816,0.02902903);(184.13103,0.00900901);(185.05391,0.01001001);(185.06946,0.01101101);(185.09579,0.01001001);(186.10893,0.01201201);(186.9295,0.00800801);(187.07394,0.01901902);(189.09198,0.01101101);(192.05629,0.06006006);(193.06364,0.06006006);(193.07425,0.02102102);(194.06877,0.02902903);(194.0787,0.11811812);(195.07652,0.12212212);(195.08629,0.07607608);(196.03514,0.01101101);(196.05161,0.00800801);(196.08759,0.09209209);(196.10393,0.01701702);(197.04225,0.01501502);(197.05298,0.04704705);(197.06824,0.02202202);(197.08707,0.02202202);(197.09857,0.08308308);(198.06721,0.07007007);(198.09213,0.00800801);(198.10051,0.00900901);(198.75505,0.00900901);(199.00168,0.01501502);(199.07423,0.32832833);(200.07956,0.05605606);(207.08261,0.01201201);(208.04535,0.01301301);(208.07317,0.00800801);(208.08786,0.02202202);(208.09877,0.00800801);(209.05984,0.11811812);(209.10042,0.02602603);(210.06842,0.37937938);(210.09932,0.01301301);(211.07259,0.53053053);(212.05679,0.00800801);(212.07521,0.04504505);(212.08409,0.02702703);(213.05258,0.00900901);(213.08862,0.13913914);(213.09927,0.02602603);(214.1001,0.02802803);(216.07388,0.01101101);(216.10403,0.00900901);(222.05542,0.00800801);(222.07043,0.01701702);(223.0696,0.01001001);(224.07437,0.03403403);(224.08755,0.04904905);(225.03059,0.00900901);(225.08267,0.06706707);(225.09332,0.10910911);(226.07019,0.03103103);(226.10223,0.22022022);(227.02556,0.01401401);(227.04123,0.01101101);(227.07153,0.22522523);(227.10291,0.00900901);(228.07658,0.00900901);(234.40511,0.00800801);(239.10185,0.01001001);(240.08672,0.00900901);(240.89604,0.00900901);(241.07254,0.02002002);(241.08911,0.16316316);(241.66223,0.00800801);(242.0939,0.23123123);(243.08696,0.00800801);(243.09764,0.02302302);(244.09941,0.01001001);(257.11047,0.02702703) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (91.053,0.015);(105.069,0.047);(107.051,0.011);(111.045,0.013);(119.047,0.027);(121.03,0.013);(121.065,0.027);(133.064,0.09);(135.083,0.017);(137.062,0.015);(141.065,0.013);(145.068,0.013);(149.06,0.018);(151.075,0.019);(152.063,0.011);(153.068,0.024);(154.076,0.013);(157.064,0.013);(165.069,0.053);(171.08,0.016);(179.084,0.015);(181.066,0.073);(182.067,0.022);(182.076,0.018);(183.076,0.012);(193.064,0.014);(197.059,0.013);(197.098,0.013);(199.074,0.022);(210.067,0.038);(211.073,0.04);(211.083,0.017);(213.093,0.012);(224.087,0.01);(225.083,0.017);(225.094,0.026);(226.098,0.03);(239.104,0.015);(242.086,0.024);(242.098,0.033);(243.095,0.012);(255.098,0.01);(255.107,0.014);(256.102,0.029);(256.109,0.071);(257.117,1.0) | | LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (77.039,0.04);(78.048,0.014);(79.053,0.079);(79.057,0.045);(81.514,0.019);(83.051,0.02);(83.868,0.011);(91.053,0.324);(92.029,0.015);(92.058,0.017);(92.064,0.026);(93.069,0.011);(95.047,0.023);(96.214,0.018);(103.048,0.057);(103.055,0.16);(104.03,0.012);(104.053,0.012);(105.029,0.032);(105.038,0.01);(105.046,0.01);(105.065,0.179);(105.071,0.314);(106.038,0.036);(106.069,0.021);(107.05,0.321);(108.054,0.013);(108.061,0.011);(109.063,0.056);(110.067,0.015);(111.041,0.02);(111.05,0.012);(115.059,0.029);(116.054,0.01);(118.02,0.013);(118.031,0.019);(118.045,0.011);(119.034,0.012);(119.05,0.237);(120.054,0.091);(121.027,0.075);(121.037,0.023);(121.065,0.38);(122.032,0.011);(122.038,0.022);(123.042,0.038);(123.078,0.031);(124.03,0.011);(124.045,0.016);(124.052,0.08);(125.054,0.011);(127.053,0.033);(129.076,0.03);(131.045,0.032);(131.053,0.034);(131.083,0.01);(131.937,0.01);(132.052,0.024);(133.016,0.011);(133.026,0.092);(133.033,0.032);(133.064,0.26);(133.073,0.03);(133.091,0.013);(134.027,0.037);(134.035,0.021);(134.063,0.021);(134.071,0.04);(135.04,0.031);(135.071,0.046);(135.079,0.101);(136.052,0.018);(137.05,0.033);(137.057,0.077);(137.062,0.144);(138.067,0.081);(140.066,0.015);(141.062,0.034);(141.075,0.014);(142.042,0.026);(143.05,0.011);(143.079,0.037);(143.091,0.027);(143.257,0.013);(144.049,0.011);(144.058,0.032);(145.061,0.025);(145.069,0.041);(146.073,0.017);(148.051,0.114);(149.058,0.284);(149.086,0.014);(150.059,0.022);(151.054,0.037);(151.073,0.058);(152.056,0.041);(152.067,0.043);(152.077,0.026);(153.068,0.323);(154.075,0.177);(154.142,0.011);(155.074,0.023);(155.084,0.056);(156.065,0.014);(156.088,0.021);(157.065,0.117);(159.076,0.048);(159.09,0.013);(161.053,0.012);(161.956,0.013);(163.074,0.013);(164.062,0.055);(164.076,0.027);(164.086,0.051);(165.05,0.011);(165.07,0.801);(166.071,0.105);(166.079,0.027);(167.049,0.011);(167.081,0.046);(167.097,0.014);(168.058,0.032);(168.09,0.027);(168.106,0.014);(169.052,0.011);(169.073,0.019);(170.066,0.048);(170.077,0.061);(171.044,0.01);(171.069,0.036);(171.081,0.13);(171.087,0.049);(171.098,0.011);(172.09,0.011);(172.315,0.022);(174.068,0.012);(176.058,0.011);(176.067,0.01);(176.129,0.011);(176.26,0.015);(177.062,0.027);(177.072,0.091);(177.133,0.019);(178.069,0.072);(178.08,0.107);(179.073,0.025);(179.088,0.062);(180.056,0.013);(180.084,0.011);(181.049,0.072);(181.065,1.0);(181.81,0.013);(182.068,0.276);(182.076,0.296);(183.081,0.282);(184.054,0.015);(184.086,0.111);(184.817,0.012);(185.051,0.024);(185.064,0.08);(185.094,0.028);(189.735,0.019);(190.074,0.021);(192.054,0.05);(192.068,0.01);(193.059,0.066);(193.069,0.054);(194.037,0.015);(194.072,0.232);(195.057,0.011);(195.07,0.055);(195.082,0.187);(195.089,0.064);(196.077,0.024);(197.06,0.048);(197.069,0.013);(197.089,0.059);(197.103,0.047);(198.062,0.044);(198.078,0.021);(198.107,0.02);(198.952,0.01);(199.075,0.423);(200.075,0.014);(200.085,0.062);(201.228,0.015);(207.068,0.015);(208.085,0.038);(208.991,0.014);(209.045,0.012);(209.061,0.139);(210.046,0.03);(210.064,0.35);(210.076,0.162);(211.077,0.913);(211.106,0.012);(212.015,0.011);(212.044,0.011);(212.078,0.072);(212.088,0.085);(212.826,0.011);(213.093,0.208);(214.088,0.01);(214.527,0.012);(223.085,0.018);(224.082,0.035);(224.122,0.011);(225.072,0.026);(225.094,0.29);(226.067,0.018);(226.102,0.22);(227.025,0.013);(227.067,0.263);(227.1,0.053);(228.055,0.022);(228.072,0.035);(228.083,0.036);(229.074,0.011);(229.088,0.015);(240.073,0.048);(241.086,0.165);(241.981,0.015);(242.08,0.027);(242.089,0.12);(242.103,0.109);(243.097,0.049);(255.079,0.011);(256.12,0.023);(257.119,0.085);(257.128,0.023) | | LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (55.019,0.015);(56.021,0.02);(65.037,0.015);(65.041,0.012);(67.053,0.018);(77.039,0.048);(77.428,0.013);(79.061,0.013);(89.036,0.058);(90.048,0.03);(91.043,0.015);(91.055,0.109);(92.029,0.012);(92.047,0.012);(93.029,0.017);(93.035,0.074);(99.002,0.029);(101.039,0.012);(103.054,0.026);(104.059,0.032);(105.036,0.013);(107.016,0.017);(107.049,0.095);(115.043,0.012);(115.051,0.031);(115.057,0.068);(116.059,0.03);(116.064,0.015);(118.039,0.022);(118.044,0.012);(118.073,0.013);(119.047,0.015);(121.026,0.027);(121.065,0.015);(124.051,0.013);(125.037,0.014);(127.051,0.05);(127.059,0.015);(128.024,0.02);(128.06,0.166);(128.071,0.027);(129.069,0.087);(130.07,0.013);(131.043,0.018);(132.043,0.015);(133.024,0.054);(134.034,0.02);(135.041,0.013);(139.047,0.012);(139.055,0.044);(141.071,0.09);(142.04,0.021);(142.082,0.026);(143.076,0.019);(144.054,0.023);(144.062,0.015);(144.088,0.015);(147.044,0.012);(150.051,0.015);(151.05,0.151);(151.058,0.127);(152.061,1.0);(152.104,0.015);(153.068,0.447);(153.097,0.018);(154.064,0.016);(154.071,0.053);(154.084,0.015);(154.939,0.016);(155.046,0.045);(155.074,0.02);(156.053,0.05);(157.065,0.124);(158.073,0.036);(163.055,0.031);(163.063,0.012);(164.064,0.125);(165.048,0.013);(165.069,0.428);(166.075,0.05);(168.051,0.03);(168.066,0.017);(170.064,0.053);(170.078,0.028);(171.077,0.012);(173.946,0.013);(175.048,0.016);(176.062,0.081);(178.055,0.029);(178.077,0.09);(179.07,0.015);(179.089,0.013);(179.434,0.014);(181.044,0.015);(181.05,0.018);(181.066,0.507);(182.068,0.107);(183.068,0.024);(183.082,0.015);(183.108,0.015);(184.049,0.023);(184.08,0.012);(185.058,0.019);(193.071,0.027);(194.069,0.031);(195.058,0.02);(195.086,0.012);(196.06,0.016);(197.049,0.013);(197.059,0.048);(198.062,0.016);(209.061,0.015);(210.063,0.015);(210.081,0.016);(211.072,0.016);(226.064,0.014) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (91.053,0.032);(105.069,0.046);(107.047,0.021);(111.043,0.026);(119.048,0.031);(121.063,0.018);(133.065,0.105);(134.07,0.015);(135.076,0.013);(137.06,0.036);(145.066,0.017);(149.057,0.033);(151.073,0.012);(152.06,0.017);(153.067,0.017);(155.088,0.01);(159.083,0.017);(163.074,0.011);(165.066,0.044);(165.079,0.011);(166.072,0.015);(166.082,0.013);(171.079,0.022);(181.057,0.018);(181.065,0.053);(182.072,0.037);(183.079,0.022);(193.065,0.01);(197.097,0.013);(199.074,0.02);(210.066,0.035);(211.076,0.026);(224.089,0.016);(225.093,0.047);(226.096,0.044);(227.076,0.02);(227.107,0.013);(242.093,0.051);(256.108,0.079);(257.116,1.0) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (256.109,0.081);(257.117,1.0);(257.162,0.018) | | LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (55.018,0.021);(77.033,0.021);(77.039,0.046);(79.021,0.011);(79.054,0.046);(79.059,0.02);(85.028,0.01);(91.051,0.213);(91.057,0.134);(92.06,0.032);(103.055,0.213);(104.059,0.014);(105.028,0.014);(105.067,0.198);(105.072,0.275);(106.064,0.013);(106.07,0.021);(106.075,0.035);(107.049,0.216);(108.046,0.01);(108.057,0.031);(109.064,0.072);(111.05,0.011);(115.051,0.015);(117.062,0.014);(117.068,0.014);(118.04,0.048);(119.048,0.165);(120.058,0.094);(121.028,0.131);(121.05,0.02);(121.064,0.316);(121.597,0.012);(122.032,0.016);(122.068,0.018);(124.048,0.016);(124.058,0.014);(124.19,0.013);(125.05,0.019);(126.074,0.01);(127.048,0.015);(127.055,0.021);(128.064,0.039);(131.049,0.034);(131.084,0.011);(133.031,0.058);(133.054,0.022);(133.066,0.167);(134.04,0.018);(135.044,0.044);(135.078,0.129);(136.076,0.014);(137.059,0.168);(137.072,0.012);(138.052,0.01);(138.061,0.038);(138.069,0.087);(138.396,0.013);(141.068,0.091);(141.08,0.041);(142.074,0.011);(143.086,0.049);(144.092,0.011);(145.056,0.01);(145.067,0.043);(148.052,0.053);(149.025,0.012);(149.049,0.021);(149.063,0.191);(150.057,0.03);(150.066,0.029);(151.053,0.034);(151.07,0.02);(151.078,0.025);(152.05,0.014);(152.061,0.093);(152.07,0.021);(153.061,0.031);(153.068,0.159);(153.079,0.023);(154.066,0.017);(154.079,0.104);(155.081,0.058);(155.091,0.016);(156.058,0.011);(156.081,0.017);(157.061,0.047);(157.069,0.033);(158.069,0.014);(159.076,0.014);(161.064,0.017);(164.055,0.018);(164.065,0.059);(165.07,0.698);(166.058,0.012);(166.068,0.062);(166.078,0.195);(167.044,0.01);(167.086,0.135);(168.086,0.025);(169.065,0.064);(169.091,0.019);(169.104,0.022);(169.729,0.011);(171.073,0.105);(171.084,0.071);(176.069,0.034);(177.056,0.017);(177.072,0.077);(178.069,0.062);(178.077,0.112);(179.085,0.106);(180.088,0.015);(181.032,0.014);(181.044,0.02);(181.065,1.0);(182.071,0.435);(182.091,0.011);(183.066,0.033);(183.078,0.116);(183.088,0.082);(184.081,0.03);(185.056,0.02);(185.063,0.02);(187.072,0.028);(187.081,0.017);(189.081,0.014);(193.068,0.1);(194.071,0.244);(194.081,0.042);(195.076,0.106);(195.086,0.032);(196.092,0.024);(197.061,0.116);(197.089,0.031);(197.103,0.052);(198.069,0.017);(198.096,0.02);(199.054,0.023);(199.076,0.381);(200.079,0.051);(201.079,0.013);(201.088,0.049);(201.099,0.014);(206.068,0.014);(207.074,0.012);(207.084,0.033);(208.088,0.024);(208.109,0.012);(209.058,0.127);(209.09,0.014);(209.1,0.016);(209.505,0.01);(210.045,0.011);(210.069,0.4);(211.074,0.616);(212.083,0.067);(213.071,0.014);(213.085,0.118);(213.1,0.052);(214.092,0.025);(214.102,0.022);(216.09,0.011);(224.087,0.06);(225.062,0.016);(225.077,0.025);(225.092,0.21);(226.061,0.01);(226.078,0.023);(226.099,0.157);(226.116,0.021);(227.056,0.045);(227.072,0.218);(227.089,0.011);(227.102,0.038);(228.069,0.034);(228.086,0.017);(240.084,0.02);(241.085,0.209);(242.095,0.259);(243.09,0.024);(243.101,0.024);(250.597,0.01);(256.114,0.014) | | LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (65.04,0.057);(75.026,0.011);(77.029,0.011);(77.039,0.115);(78.041,0.013);(79.051,0.043);(85.026,0.015);(90.046,0.048);(90.658,0.01);(91.053,0.113);(91.057,0.077);(91.068,0.015);(91.481,0.012);(92.027,0.016);(92.058,0.012);(93.031,0.012);(102.052,0.015);(103.056,0.072);(104.061,0.013);(105.029,0.033);(105.032,0.013);(105.042,0.011);(105.063,0.014);(105.071,0.05);(106.045,0.01);(107.05,0.18);(113.037,0.014);(115.054,0.168);(115.065,0.016);(116.051,0.018);(116.058,0.036);(117.07,0.015);(118.037,0.018);(118.044,0.011);(119.039,0.015);(119.05,0.056);(120.064,0.016);(121.031,0.027);(121.058,0.019);(121.066,0.027);(123.041,0.01);(126.05,0.012);(127.054,0.15);(128.054,0.038);(128.063,0.269);(129.068,0.043);(130.04,0.014);(131.046,0.046);(133.024,0.041);(133.056,0.012);(134.038,0.017);(139.003,0.013);(139.054,0.062);(139.061,0.013);(140.047,0.021);(140.067,0.023);(141.07,0.132);(141.293,0.016);(142.041,0.031);(142.071,0.022);(143.042,0.012);(143.052,0.012);(143.09,0.016);(144.05,0.015);(144.058,0.038);(150.06,0.016);(151.056,0.091);(151.152,0.013);(152.027,0.012);(152.062,1.0);(152.078,0.015);(153.07,0.619);(154.072,0.113);(155.046,0.044);(155.087,0.01);(155.094,0.01);(156.053,0.018);(157.05,0.015);(157.064,0.099);(157.607,0.01);(159.088,0.015);(163.05,0.034);(163.058,0.027);(164.052,0.068);(164.061,0.127);(165.035,0.03);(165.068,0.578);(166.068,0.046);(166.077,0.073);(166.088,0.014);(167.047,0.014);(167.089,0.012);(169.06,0.06);(169.073,0.012);(170.067,0.013);(170.075,0.013);(171.042,0.011);(171.05,0.014);(171.077,0.04);(176.061,0.065);(177.064,0.037);(178.075,0.063);(178.082,0.021);(178.585,0.012);(181.036,0.016);(181.057,0.131);(181.065,0.432);(182.046,0.024);(182.053,0.014);(182.07,0.097);(183.072,0.029);(183.079,0.016);(184.042,0.03);(184.074,0.01);(191.042,0.012);(193.066,0.011);(194.067,0.04);(195.067,0.02);(197.052,0.016);(198.061,0.034);(198.07,0.054);(207.09,0.012);(209.057,0.017);(209.068,0.016);(210.071,0.037);(211.017,0.013);(211.078,0.012);(212.073,0.011);(226.061,0.026) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (91.053,0.015);(103.055,0.01);(105.07,0.058);(107.05,0.021);(111.044,0.034);(119.049,0.02);(120.054,0.015);(121.064,0.027);(133.064,0.095);(134.069,0.013);(135.043,0.014);(137.058,0.035);(138.061,0.011);(145.064,0.023);(149.059,0.02);(151.077,0.01);(152.06,0.013);(153.068,0.015);(157.063,0.01);(159.079,0.015);(165.069,0.046);(166.076,0.018);(181.063,0.064);(182.07,0.049);(183.08,0.012);(195.075,0.012);(197.095,0.014);(199.074,0.025);(199.083,0.011);(210.061,0.018);(210.069,0.037);(211.075,0.03);(224.094,0.012);(225.089,0.046);(226.095,0.018);(226.105,0.016);(242.097,0.043);(255.095,0.012);(256.109,0.048);(257.117,1.0);(257.164,0.011) | | LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (256.108,0.062);(257.116,1.0);(257.162,0.012) | | LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (55.021,0.011);(68.998,0.01);(77.037,0.021);(77.041,0.018);(77.047,0.011);(77.938,0.013);(79.055,0.03);(85.032,0.015);(89.041,0.01);(91.005,0.017);(91.053,0.253);(92.027,0.011);(92.052,0.013);(95.045,0.011);(102.046,0.011);(103.03,0.01);(103.054,0.201);(105.071,0.419);(106.072,0.01);(107.041,0.037);(107.048,0.144);(107.054,0.046);(108.054,0.06);(108.571,0.011);(109.06,0.01);(115.055,0.028);(117.07,0.032);(118.021,0.013);(119.044,0.072);(119.051,0.136);(120.049,0.012);(120.058,0.057);(121.029,0.163);(121.065,0.213);(121.624,0.015);(122.033,0.022);(122.069,0.031);(123.045,0.02);(123.07,0.012);(124.052,0.038);(127.055,0.063);(127.075,0.013);(128.052,0.015);(128.061,0.018);(129.063,0.032);(130.08,0.01);(131.048,0.054);(131.08,0.01);(131.087,0.01);(132.06,0.019);(133.029,0.077);(133.06,0.049);(133.069,0.101);(134.026,0.016);(134.071,0.017);(135.027,0.01);(135.044,0.03);(135.067,0.01);(135.079,0.084);(135.085,0.023);(136.046,0.014);(136.082,0.019);(137.06,0.063);(138.064,0.104);(139.074,0.048);(140.913,0.012);(141.068,0.018);(141.074,0.054);(143.081,0.018);(143.088,0.013);(145.067,0.028);(148.055,0.028);(149.057,0.048);(150.031,0.012);(151.056,0.027);(151.072,0.047);(151.08,0.025);(152.034,0.016);(152.061,0.053);(152.83,0.012);(153.055,0.011);(153.069,0.197);(154.077,0.16);(155.088,0.073);(156.053,0.02);(156.094,0.013);(157.066,0.097);(157.668,0.013);(158.066,0.011);(158.075,0.012);(159.076,0.044);(159.085,0.046);(160.494,0.014);(161.363,0.01);(162.068,0.011);(164.067,0.04);(164.08,0.012);(164.477,0.013);(164.754,0.013);(165.026,0.011);(165.07,0.716);(166.074,0.137);(166.198,0.011);(167.079,0.061);(167.088,0.077);(168.086,0.012);(169.057,0.024);(169.072,0.017);(170.076,0.029);(171.052,0.018);(171.08,0.162);(172.093,0.011);(174.062,0.016);(176.056,0.03);(177.055,0.017);(177.075,0.073);(178.072,0.053);(178.079,0.086);(179.085,0.12);(180.059,0.016);(181.065,1.0);(182.071,0.494);(183.078,0.323);(184.053,0.01);(184.078,0.029);(185.054,0.01);(185.069,0.011);(185.096,0.01);(186.109,0.012);(187.074,0.019);(189.092,0.011);(192.056,0.06);(193.064,0.06);(193.074,0.021);(194.069,0.029);(194.079,0.118);(195.077,0.122);(195.086,0.076);(196.035,0.011);(196.088,0.092);(196.104,0.017);(197.042,0.015);(197.053,0.047);(197.068,0.022);(197.087,0.022);(197.099,0.083);(198.067,0.07);(199.002,0.015);(199.074,0.328);(200.08,0.056);(207.083,0.012);(208.045,0.013);(208.088,0.022);(209.06,0.118);(209.1,0.026);(210.068,0.379);(210.099,0.013);(211.073,0.531);(212.075,0.045);(212.084,0.027);(213.089,0.139);(213.099,0.026);(214.1,0.028);(216.074,0.011);(222.07,0.017);(223.07,0.01);(224.074,0.034);(224.088,0.049);(225.083,0.067);(225.093,0.109);(226.07,0.031);(226.102,0.22);(227.026,0.014);(227.041,0.011);(227.072,0.225);(239.102,0.01);(241.073,0.02);(241.089,0.163);(242.094,0.231);(243.098,0.023);(244.099,0.01);(257.11,0.027) | | LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (51.026,0.021);(68.993,0.018);(75.023,0.022);(77.04,0.198);(78.043,0.021);(78.047,0.027);(79.052,0.017);(89.038,0.023);(90.004,0.017);(91.042,0.017);(91.056,0.155);(92.027,0.029);(93.03,0.041);(94.041,0.024);(98.043,0.019);(102.04,0.023);(103.052,0.094);(103.889,0.026);(105.03,0.021);(105.069,0.049);(105.075,0.059);(107.036,0.028);(107.052,0.044);(108.051,0.046);(114.046,0.018);(115.055,0.147);(118.039,0.05);(118.048,0.02);(119.054,0.036);(120.064,0.026);(121.022,0.017);(121.031,0.026);(121.06,0.04);(121.07,0.019);(127.048,0.053);(127.056,0.201);(128.049,0.03);(128.06,0.462);(128.075,0.061);(129.058,0.018);(129.068,0.116);(131.052,0.082);(133.065,0.022);(134.034,0.02);(139.056,0.017);(140.064,0.059);(140.961,0.022);(141.071,0.162);(142.035,0.022);(142.073,0.026);(143.089,0.02);(144.051,0.044);(144.055,0.018);(144.092,0.019);(145.055,0.018);(150.049,0.04);(151.001,0.019);(151.047,0.026);(151.056,0.065);(152.044,0.02);(152.062,0.872);(152.094,0.024);(153.07,0.662);(153.076,0.176);(153.829,0.021);(154.063,0.054);(154.073,0.097);(154.087,0.042);(155.077,0.024);(155.087,0.047);(156.052,0.017);(156.058,0.024);(156.085,0.02);(157.062,0.059);(158.063,0.02);(163.048,0.023);(163.058,0.068);(164.056,0.021);(164.06,0.061);(164.068,0.037);(165.045,0.021);(165.053,0.047);(165.07,1.0);(165.534,0.026);(166.064,0.021);(166.077,0.06);(167.079,0.037);(168.053,0.045);(169.055,0.017);(169.067,0.018);(170.071,0.092);(170.083,0.037);(171.079,0.103);(171.086,0.059);(176.061,0.065);(177.079,0.032);(178.075,0.101);(179.078,0.02);(180.049,0.036);(181.036,0.038);(181.065,0.76);(181.131,0.021);(182.07,0.107);(182.356,0.018);(183.069,0.021);(183.085,0.028);(184.041,0.059);(192.055,0.019);(193.873,0.018);(195.052,0.021);(195.079,0.059);(197.055,0.034);(200.089,0.017);(203.735,0.039);(209.1,0.017);(210.051,0.021);(210.069,0.024);(211.037,0.033);(212.082,0.017);(213.061,0.021);(246.906,0.031);(253.548,0.027);(254.049,0.02) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (55.01838972,0.0856865022);(57.03403978,0.4834183716);(59.04968984,0.0521550345);(69.03403978,0.0681937367);(81.03403978,0.0975154977);(95.04968984,0.8973608426);(113.0602545,0.0720133215);(119.0496898,2.250744559);(139.0759046,0.8946885873);(143.0496898,0.1813634569);(145.0653399,0.1625069107);(163.0759046,2.226926319);(169.0653399,0.0572697281);(177.0915547,0.1301532513);(187.0759046,0.1378736581);(189.0915547,0.0880998308);(195.08099,0.0598076362);(199.0759046,0.3468191506);(201.0915547,0.3934144295);(203.1072047,0.1052801416);(211.0759046,0.0530790598);(213.0915547,0.1187141833);(215.1072047,0.1292958621);(225.0915547,4.633176838);(227.0708192,0.054387646);(227.1072047,1.621979244);(229.0864693,0.1431830573);(231.1021193,0.1092147178);(239.1072047,1.912910835);(241.0864693,0.929673717);(257.1177694,81.50309387) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (51.0234751,0.2063148288);(57.03403978,0.2447908502);(59.04968984,1.153290972);(79.01838972,0.277555211);(81.03403978,0.3339546441);(95.04968984,1.851647198);(119.0496898,8.669348531);(133.0653399,0.3429830718);(139.0759046,1.897372167);(143.0496898,1.279325586);(145.0653399,0.7453162155);(163.0759046,8.521942781);(169.0653399,0.5083856775);(177.0915547,0.4474406883);(183.08099,0.2874784267);(185.0602545,0.3928041168);(187.0759046,0.5128639468);(189.0915547,0.3042569725);(195.08099,0.3733663513);(199.0759046,2.07297289);(201.0915547,1.50412414);(203.1072047,0.5755425198);(213.0915547,2.100243234);(215.1072047,2.107945684);(225.0915547,7.272913444);(227.1072047,2.793890808);(229.0864693,0.3659067984);(231.1021193,0.2227854391);(239.1072047,2.701342555);(241.0864693,2.641056179);(257.1177694,47.29083807) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,4.823237122);(57.03403978,1.440127705);(65.03912516,2.897742188);(77.03912516,1.420136014);(79.01838972,1.593159004);(81.03403978,2.811194692);(89.03912516,3.47012702);(95.04968984,1.429870085);(107.0496898,4.457233966);(119.0496898,6.049553398);(127.0547752,1.399308059);(133.0653399,3.499345718);(139.0759046,1.844525002);(143.0496898,7.104027335);(145.0653399,2.366434772);(157.0653399,1.325248259);(163.0759046,4.825473355);(169.0653399,5.368282311);(183.08099,4.584826347);(193.0653399,3.747643678);(195.08099,5.846551069);(197.09664,1.463317483);(199.0759046,1.538821493);(201.0915547,1.761948809);(209.09664,2.876660634);(211.0759046,4.594880153);(223.0759046,1.916809274);(225.0915547,4.623152786);(227.1072047,2.296197165);(239.1072047,3.210019817);(241.0864693,3.414145288) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.0656539568);(31.01838972,0.1784597477);(41.00273965,0.0750573725);(55.01838972,0.3076349731);(57.03403978,0.173524225);(67.01838972,0.0482630568);(93.03403978,0.1668349539);(111.0446045,0.1950953178);(113.0602545,0.0648142113);(117.0340398,0.0252004956);(137.0602545,0.1635833192);(143.0496898,0.0117109513);(161.0602545,0.0252004956);(183.0446045,0.0114637155);(187.0759046,0.0274552224);(193.0653399,0.0378778916);(195.08099,0.0198306921);(197.0602545,0.0270460165);(199.0759046,0.1134884382);(201.0915547,0.021483833);(207.08099,0.0312157376);(209.0602545,0.1009080866);(211.0759046,0.0157833208);(213.0915547,0.0408828533);(223.0759046,1.274181827);(225.0915547,1.109303228);(227.0708192,0.0120587128);(229.0864693,0.0824531909);(237.0915547,0.7469818274);(239.0708192,1.033127727);(255.1021193,93.7934246) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.0234751,0.1665331169);(31.01838972,0.3718935869);(41.00273965,0.0954459361);(55.01838972,0.3588931997);(57.03403978,0.1496593978);(93.03403978,0.4179071368);(111.0446045,0.1210629504);(117.0340398,0.1074725777);(137.0602545,0.3729061138);(143.0496898,0.1335848693);(161.0602545,0.1074725777);(167.0496898,0.7662024451);(169.0653399,0.1369884499);(183.0446045,0.2721043474);(187.0759046,0.1212142196);(193.0653399,0.4467589435);(195.08099,0.1808517717);(197.0602545,8.698727445);(199.0759046,4.903897603);(201.0915547,0.1305716646);(207.08099,0.2144571853);(209.0602545,1.986255577);(211.0759046,0.2601392436);(213.0915547,0.5097510351);(223.0759046,3.190287405);(225.0915547,2.630758339);(227.0708192,0.1474996466);(229.0864693,0.2768412405);(237.0915547,1.252659343);(239.0708192,10.69198666);(255.1021193,60.77921597) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,2.267259276);(55.01838972,11.70008832);(57.03403978,0.889406442);(79.01838972,0.7810219012);(93.03403978,2.993482451);(107.0496898,0.7190622963);(117.0340398,0.8301626244);(137.0602545,1.415832539);(141.0340398,1.036570335);(143.0496898,2.292868837);(153.0340398,0.5773082616);(161.0602545,0.8301626244);(167.0496898,3.981162253);(169.0653399,2.588825589);(183.0446045,5.275461298);(187.0759046,0.564527122);(193.0653399,1.92125304);(195.08099,1.486096865);(197.0602545,4.796413683);(199.0759046,4.650013205);(207.0446045,0.7167074926);(207.08099,1.071807662);(209.0602545,17.38978834);(211.0759046,0.5534732867);(213.0915547,1.377173182);(223.0759046,3.029496967);(225.0915547,3.405039071);(229.0864693,0.6094741941);(237.0915547,0.9671225105);(239.0708192,16.84363724);(255.1021193,2.439301095) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (199.07645,5.69);(199.07645,5.69);(199.07645,5.69);(209.0608,7.74);(209.0608,7.74);(209.0608,7.74);(223.07645,20.79);(223.07645,20.79);(223.07645,20.79);(225.0921,6.13);(239.07137,20.21);(239.07137,20.21);(239.07137,20.21);(239.07137,20.21);(239.07137,20.21);(239.07137,20.21);(253.08702,11.57);(253.08702,11.57);(253.08702,11.57);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0);(255.10267,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (93.03459,32.04);(117.03459,31.0);(119.05024,18.64);(119.05024,18.64);(119.05024,18.64);(119.05024,18.64);(143.05024,43.79);(161.0608,13.24);(161.0608,13.24);(185.0608,32.08);(185.0608,32.08);(185.0608,32.08);(185.0608,32.08);(187.07645,12.99);(187.07645,12.99);(197.0608,25.72);(197.0608,25.72);(209.0608,100.0);(209.0608,100.0);(209.0608,100.0);(211.07645,60.36);(211.07645,60.36);(211.07645,60.36);(239.07137,88.85);(239.07137,88.85);(239.07137,88.85);(239.07137,88.85);(239.07137,88.85);(239.07137,88.85) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (91.05423,5.37);(119.04914,12.71);(119.04914,12.71);(119.04914,12.71);(119.04914,12.71);(121.06479,10.85);(121.06479,10.85);(121.06479,10.85);(121.06479,10.85);(121.06479,10.85);(123.08044,7.45);(137.05971,7.45);(137.05971,7.45);(137.05971,7.45);(151.07536,24.89);(151.07536,24.89);(163.07536,14.84);(163.07536,14.84);(163.07536,14.84);(181.06479,5.36);(193.06479,4.48);(197.09609,6.29);(197.09609,6.29);(199.07536,5.64);(199.07536,5.64);(199.07536,5.64);(203.10666,5.15);(203.10666,5.15);(203.10666,5.15);(225.09101,35.22);(225.09101,35.22);(225.09101,35.22);(225.09101,35.22);(225.09101,35.22);(225.09101,35.22);(227.10666,6.02);(227.10666,6.02);(229.12231,20.71);(229.12231,20.71);(229.12231,20.71);(255.10157,22.1);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0);(257.11722,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (75.02293,21.11);(77.03858,40.74);(79.05423,36.95);(79.05423,36.95);(91.05423,53.76);(103.05423,41.05);(119.04914,17.73);(119.04914,17.73);(119.04914,17.73);(119.04914,17.73);(121.06479,21.8);(121.06479,21.8);(121.06479,21.8);(121.06479,21.8);(121.06479,21.8);(123.08044,20.18);(133.06479,18.26);(141.06988,21.02);(143.04914,24.4);(145.06479,23.19);(157.06479,18.24);(163.07536,31.54);(163.07536,31.54);(163.07536,31.54);(183.04406,17.09);(185.05971,17.5);(185.05971,17.5);(189.09101,18.76);(199.07536,100.0);(199.07536,100.0);(199.07536,100.0);(201.09101,23.09);(201.09101,23.09);(201.09101,23.09);(203.10666,25.82);(203.10666,25.82);(203.10666,25.82);(211.07536,20.21);(211.07536,20.21);(213.09101,43.58);(213.09101,43.58);(213.09101,43.58);(213.09101,43.58);(215.10666,64.5);(223.07536,20.13);(223.07536,20.13);(225.09101,18.39);(225.09101,18.39);(225.09101,18.39);(225.09101,18.39);(225.09101,18.39);(225.09101,18.39);(239.10666,22.22);(239.10666,22.22);(239.10666,22.22);(239.10666,22.22);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(241.08592,34.75);(255.10157,45.84) |
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