| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
|---|
| | | | | | |
|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.02599842,0.9300205279);(43.00526332,0.9143184579);(44.01308792,1.056716609);(82.01616112,1.348302046);(84.03181032,1.186932377);(96.03181032,3.09170501);(111.0427081,11.61453791);(112.0505327,5.162651253);(122.0110752,1.329430511);(127.0376222,1.246242057);(137.021973,2.805047907);(138.0297976,2.712023757);(139.0376222,9.929792273);(140.0454468,5.00487814);(153.0168871,1.332575162);(154.0247117,0.717375019);(154.04852,6.202797162);(155.0325363,0.967666524);(164.0328708,2.055974103);(165.0168871,1.415963276);(165.0406954,1.354172669);(166.0121357,0.888551452);(166.0247117,0.9996316964);(167.0199603,1.601511488);(180.0277849,0.8134301236);(181.0356095,3.670504702);(182.0434341,9.347386894);(183.0457246,0.7841916681) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (41.02599842,0.9300205279);(43.00526332,0.9143184579);(44.01308792,1.056716609);(82.01616112,1.348302046);(84.03181032,1.186932377);(96.03181032,3.09170501);(111.0427081,11.61453791);(112.0505327,5.162651253);(122.0110752,1.329430511);(127.0376222,1.246242057);(137.021973,2.805047907);(138.0297976,2.712023757);(139.0376222,9.929792273);(140.0454468,5.00487814);(153.0168871,1.332575162);(154.0247117,0.717375019);(154.04852,6.202797162);(155.0325363,0.967666524);(164.0328708,2.055974103);(165.0168871,1.415963276);(165.0406954,1.354172669);(166.0121357,0.888551452);(166.0247117,0.9996316964);(167.0199603,1.601511488);(180.0277849,0.8134301236);(181.0356095,3.670504702);(182.0434341,9.347386894);(183.0457246,0.7841916681) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (112.0504,2.470247025);(140.0454,5.050505051);(165.0406,1.02010201);(166.0246,3.360336034);(168.0277,1.250125013);(183.0511,86.84868487) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (112.0504,4.93);(140.0454,8.35);(155.0563,1.06);(165.0406,2.02);(166.0246,6.12);(168.0277,2.54);(183.0511,74.98) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (69.0444,1.01989801);(112.0504,8.369163084);(138.0298,1.089891011);(140.0454,12.03879612);(155.0563,1.469853015);(165.0406,3.089691031);(166.0246,8.919108089);(168.0277,4.429557044);(183.0511,59.5740426) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (69.0444,1.680168017);(112.0504,10.97109711);(137.0458,0.5800580058);(138.0298,1.920192019);(140.0454,15.20152015);(155.0563,1.620162016);(158.056,0.5800580058);(165.0406,4.070407041);(166.0246,11.67116712);(168.0277,6.730673067);(183.0511,44.97449745) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (69.008,0.3199680032);(69.0444,3.789621038);(70.0159,0.2399760024);(71.0237,0.8199180082);(84.0553,0.5599440056);(97.0268,1.419858014);(110.0348,0.6599340066);(112.0504,14.72852715);(113.0344,0.4899510049);(125.0219,0.3499650035);(137.0457,1.489851015);(138.0298,4.239576042);(140.0454,17.20827917);(143.0325,0.4699530047);(155.0563,1.709829017);(158.0559,0.3799620038);(165.0406,4.95950405);(166.0246,13.21867813);(168.0276,10.73892611);(183.0511,22.20777922) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (54.0211,0.199940018);(57.0445,0.2399280216);(67.0288,0.7897630711);(68.0241,0.8797360792);(69.0081,1.899430171);(69.0319,0.4798560432);(69.0445,7.627711686);(69.9921,0.7197840648);(70.0159,1.88943317);(71.0237,2.749175247);(82.0397,0.2299310207);(83.0237,0.1699490153);(84.0553,1.139658103);(85.0394,0.3498950315);(94.0397,0.2499250225);(96.019,0.2099370189);(97.0268,6.628011597);(110.0348,1.789463161);(112.0504,13.07607718);(113.0344,0.5598320504);(125.0219,0.9597120864);(127.0614,0.2299310207);(137.0457,2.469259222);(138.0298,6.058182545);(140.0454,15.00549835);(143.0325,1.249625112);(155.0563,1.039688094);(165.0406,3.88883335);(166.0246,9.117264821);(168.0276,11.68649405);(183.0511,6.418074578) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (54.021,0.9099090091);(55.0289,0.1499850015);(56.0129,0.1299870013);(57.0445,0.6499350065);(67.0288,2.539746025);(68.0128,0.2499750025);(68.024,3.569643036);(69.0081,6.509349065);(69.0319,1.369863014);(69.0444,11.19888011);(69.9921,2.079792021);(70.0159,6.729327067);(71.0237,5.149485051);(82.0397,0.3599640036);(83.0237,0.3399660034);(84.0553,1.469853015);(85.0393,0.499950005);(94.0397,0.4099590041);(96.019,0.4099590041);(97.0268,12.31876812);(109.0507,0.1599840016);(110.0347,2.119788021);(112.0504,7.429257074);(113.0344,0.599940006);(125.0219,1.269873013);(127.0614,0.199980002);(137.0457,1.919808019);(138.0297,4.219578042);(140.0454,8.829117088);(143.0325,1.239876012);(155.0562,0.3699630037);(165.0406,1.749825017);(166.0246,4.179582042);(168.0276,7.00929907);(183.044,0.1399860014);(183.051,1.519848015) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (54.021,2.720272027);(55.0289,0.2900290029);(56.0129,0.3700370037);(57.0445,0.8100810081);(67.0288,5.570557056);(68.0128,0.3600360036);(68.024,10.2710271);(69.0081,16.92169217);(69.0319,2.250225023);(69.0444,11.39113911);(69.9921,4.550455046);(70.0159,14.16141614);(71.0237,6.140614061);(82.0396,0.3200320032);(83.0237,0.3300330033);(84.0553,1.290129013);(85.0393,0.4600460046);(94.0397,0.3500350035);(96.019,0.4200420042);(97.0268,9.400940094);(110.0347,1.310131013);(112.0504,2.04020402);(125.0219,0.7700770077);(137.0458,0.5900590059);(138.0297,1.200120012);(140.0454,2.490249025);(143.0325,0.5800580058);(165.0409,0.3100310031);(166.0247,0.700070007);(168.0277,1.630163016) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (53.0133,0.300030003);(54.021,3.760376038);(55.029,0.4500450045);(56.013,0.4600460046);(57.0445,1.060106011);(67.0288,8.02080208);(68.024,17.33173317);(69.008,26.80268027);(69.0319,1.98019802);(69.0444,8.440844084);(69.9921,7.090709071);(70.0159,14.55145515);(71.0237,4.740474047);(84.0553,0.6500650065);(97.0268,3.260326033);(110.0347,0.4100410041);(112.0503,0.2900290029);(140.0453,0.400040004) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (53.0133,0.66);(53.9973,0.41);(54.021,5.37);(55.0289,0.41);(56.0129,0.55);(57.0446,0.89);(67.0288,8.61);(68.024,22.57);(69.008,35.89);(69.0319,0.97);(69.0444,3.87);(69.9921,10.32);(70.0159,7.23);(71.0237,2.25) | | LC-MS/MS | n/a | positive | low | View Spectrum | (69.0445,1.130113011);(112.0504,11.79117912);(138.0298,0.9400940094);(140.0454,31.12311231);(155.0563,6.220622062);(158.056,0.4200420042);(165.0406,9.460946095);(166.0246,34.21342134);(168.0277,4.140414041);(183.0498,0.5600560056) | | LC-MS/MS | n/a | positive | low | View Spectrum | (69.0,100.0) | | LC-MS/MS | n/a | positive | low | View Spectrum | (69.0,8.21);(71.0,1.72);(112.0,90.07) | | LC-MS/MS | n/a | positive | low | View Spectrum | (110.0,1.15);(137.0,9.36);(138.0,89.48) | | LC-MS/MS | n/a | positive | low | View Spectrum | (110.0,100.0) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (69.0444,11.79);(71.0237,5.56);(112.0504,7.27);(140.0453,75.38) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (69.0444,20.79);(69.992,0.73);(71.0237,10.26);(85.0393,0.97);(112.0503,7.83);(113.0344,0.77);(140.0453,58.64) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (67.0288,1.46);(69.0444,36.08);(69.992,2.1);(71.0237,17.07);(84.0427,0.81);(84.0553,0.46);(85.0393,1.03);(97.0393,0.47);(112.0503,5.7);(113.0344,0.83);(125.0218,1.04);(139.0542,0.62);(139.0752,0.38);(140.0453,31.95) | | LC-MS/MS | Orbitrap | positive | low | View Spectrum | (54.021,1.4);(55.0288,0.52);(67.0288,3.39);(69.0444,47.83);(69.992,4.32);(71.0236,19.84);(84.0427,0.99);(85.0393,0.71);(94.0396,0.5);(112.0503,3.25);(113.0343,0.57);(125.0218,1.62);(139.0541,0.97);(140.0453,14.1) | | LC-MS/MS | n/a | positive | low | View Spectrum | (69.0,14.8);(71.0,2.5);(84.0,1.16);(85.0,1.56);(95.1,1.3);(96.0,1.61);(97.0,2.57);(98.0,0.73);(111.0,1.71);(112.0,63.73);(113.0,0.76);(118.0,0.72);(121.0,5.07);(122.0,1.78) | | LC-MS/MS | n/a | positive | low | View Spectrum | (69.0,65.68);(71.0,24.83);(84.0,2.81);(85.0,6.67) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03322,100.0);(43.01712,2.23);(69.04413,41.08);(94.0397,4.04);(95.0482,1.15);(112.05105,9.18);(140.04541,28.54);(166.02545,4.84);(183.05156,7.45) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03322,1.06);(60.04387,1.01);(112.05105,2.24);(140.04541,12.29);(165.04282,1.34);(166.02545,3.86);(183.05156,100.0);(184.05453,6.25) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03321,2.22);(69.04636,1.98);(112.0508,5.25);(140.048,19.3);(165.0427,1.87);(166.0248,6.45);(168.0291,2.84);(183.054,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03321,57.94);(43.01974,2.55);(44.01315,1.5);(67.02931,1.28);(69.04636,27.82);(70.01405,3.89);(71.02633,8.6);(84.05666,3.3);(85.0412,2.3);(94.03935,1.08);(97.03037,9.73);(110.0344,2.64);(112.0508,30.64);(113.0364,2.66);(125.0234,3.9);(137.0477,3.87);(138.032,11.06);(140.048,100.0);(155.0549,3.51);(165.0427,12.03);(166.0248,31.99);(168.0291,21.18);(183.054,47.05) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03323,71.2);(43.0173,33.92);(94.03947,100.0) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (45.04266,4.15);(121.05088,87.69);(122.05381,2.72);(140.04588,13.02);(183.05136,100.0);(184.05481,9.74) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (140.04541,1.24);(183.05156,100.0);(184.05453,6.21) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (121.05088,52.72);(122.05381,6.36);(183.05136,100.0);(184.05481,7.92) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99838,22.85);(95.02565,1.45);(110.0393,22.74);(123.0103,9.21);(138.0346,15.91);(166.0137,22.6);(181.0404,100.0) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99838,100.0);(59.0132,1.81);(67.03141,5.25);(68.00411,1.35);(79.01895,1.92);(95.02565,4.45);(100.9732,2.25);(110.0393,60.78);(122.0247,1.91);(123.0103,41.29);(138.0346,25.0);(166.0137,57.16);(181.0404,30.44) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99838,100.0);(56.98156,1.03);(67.03141,2.86);(110.0357,4.3);(123.0103,10.7) | | LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99838,100.0);(59.01585,2.01);(67.03141,6.63);(79.01895,1.23);(95.02229,1.27);(110.0393,19.54);(123.0103,35.45);(138.0306,1.72);(166.0137,8.71);(181.0404,1.55) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03321,100.0);(43.02428,7.12);(44.01315,6.82);(53.01038,1.71);(54.02106,7.82);(56.94083,1.76);(67.02931,7.34);(68.02271,12.14);(69.04636,23.42);(70.01694,22.47);(71.02633,8.71);(79.05711,1.74);(80.97263,1.06);(84.05666,1.15);(97.02697,4.35);(112.0508,1.1);(140.048,1.65) | | LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (42.03321,100.0);(43.01974,5.52);(44.01315,2.22);(54.02106,3.9);(57.04513,2.05);(67.02931,4.6);(68.02271,5.23);(69.04636,34.2);(70.01694,14.0);(71.02633,15.44);(85.0412,3.39);(97.02697,13.86);(98.9828,1.34);(110.0308,1.55);(112.0508,8.8);(125.0234,3.24);(138.028,4.4);(140.048,25.44);(165.0383,1.86);(166.0248,3.95);(168.0291,5.3);(183.054,1.55) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (138.0298028,0.6752867823);(140.0454529,13.31051488);(155.0563519,0.4329050393);(165.0407018,3.781126056);(166.0247174,1.114892723);(183.0512665,78.7748227) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (83.02398914,7.673571197);(85.0396392,2.918194923);(112.0505382,8.266257615);(128.0454529,17.31075526);(140.0454529,16.19326168);(155.0563519,5.108289827);(183.0512665,23.37099534) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (40.01817548,3.594516756);(42.03382555,9.02267897);(43.02907452,5.856967812);(44.04947561,2.045551395);(57.04472458,7.024521863);(67.02907452,1.531649709);(68.0130901,1.988801968);(69.04472458,7.583485565);(83.02398914,4.689869929);(85.0396392,7.464942607);(97.0396392,4.047590558);(111.0189038,3.459503521);(112.0505382,6.140703985);(122.0348882,2.34528951);(123.0189038,2.444597698);(138.0298028,6.303623886);(140.0454529,2.03032598);(165.0407018,3.487777331) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (95.0250863,0.6363192605);(126.0308999,0.6589423445);(138.0308999,16.07077284);(153.041799,1.007317782);(154.0258146,0.3093939294);(181.0367136,80.01893162) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.9985372,4.438980943);(95.0250863,7.073461836);(96.02033526,3.078631449);(138.0308999,31.50677964);(153.041799,2.559718886);(181.0367136,39.04817237) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.9985372,44.84106552);(44.01418726,3.423404476);(65.9985372,5.227555575);(84.02033526,3.401751849);(95.0250863,2.422319936);(96.02033526,6.810948867);(111.0200009,2.230852559);(121.9995998,4.684340029);(138.0308999,8.31155449) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(138.0298,16.07);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(140.04545,14.01);(155.05635,31.02);(155.05635,31.02);(155.05635,31.02);(155.05635,31.02);(155.05635,31.02);(155.05635,31.02);(155.05635,31.02);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0);(183.05127,100.0) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (42.03383,67.91);(42.03383,67.91);(44.04948,7.25);(56.01309,8.39);(65.99744,9.06);(65.99744,9.06);(69.04472,7.45);(69.99235,15.04);(84.05562,11.67);(97.03964,39.29);(97.03964,39.29);(97.03964,39.29);(97.03964,39.29);(112.05054,100.0);(112.05054,100.0);(112.05054,100.0);(112.05054,100.0);(112.05054,100.0);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(138.0298,14.08);(155.05635,15.01);(155.05635,15.01);(155.05635,15.01);(155.05635,15.01);(155.05635,15.01);(155.05635,15.01);(155.05635,15.01) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.99854,43.66);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(138.0309,33.64);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0);(181.03671,100.0) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.01452,3.98);(41.99854,100.0);(68.01419,7.84);(68.01419,7.84);(68.01419,7.84);(69.00944,4.57);(70.02984,3.39);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55);(138.0309,6.55) |
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