PhytoHub: Showing entry for Glycyrrhetinic acid

Glycyrrhetinic acid

Identification

PhytoHub ID

PHUB000170

Name

Glycyrrhetinic acid

Systematic Name

Not Available

Synonyms

18β-glycyrrhetinic acid
Glycyrrhetic acid
Glycyrrhetic acid (alpha-)
Glycyrrhetin

CAS Number

Not Available

Average Mass

470.694

Monoisotopic Mass

470.339609961

Chemical Formula

C₃₀H₄₆O₄

IUPAC Name

(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

InChI Key

MPDGHEJMBKOTSU-WFJWTYAKSA-N

InChI Identifier

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1

SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.72e-03 g/l
LogS (ALOGPS): -5.44
LogP (ALOGPS): 5.45
Hydrogen Acceptors: 4
Hydrogen Donors: 2
Rotatable Bond Count: 1
Polar Surface Area: 74.6
Refractivity: 134.2685
Polarizability: 55.3864348876561
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -0.8351069321304386
pKa (strongest acidic): 4.44433188134718
Number of Rings: 5
Rule of Five: No
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 30853
ChEBI: 16317
PubChem: 10114
Chemistry Dashboard: DTXSID9020669
MetaboLights: MTBLC30853
FooDB (Compounds): FDB020713

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Triterpenoids
Sub-class: Saponins

Taxonomy as Metabolite

Metabolite Family: Terpenoid metabolites
Metabolite Class: Triterpenoid metabolites
Metabolite Sub-class: Saponins (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Glycyrrhizin	Terpenoids	Triterpenoids	Saponins	Show Food Phytochemical
Glycyrrhetinic acid	Terpenoids	Triterpenoids	Saponins	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Triterpenoids
Direct Parent Name: Triterpenoids
Alternative Parent Names: ["Carboxylic acids", "Cyclic alcohols and derivatives", "Cyclohexenones", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Secondary alcohols"]
External Descriptor Annotations: Not Available
Substituent Names: ["Alcohol", "Aliphatic homopolycyclic compound", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Cyclic alcohol", "Cyclohexenone", "Hydrocarbon derivative", "Ketone", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol", "Triterpenoid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(139.1117345,1.446018076);(153.1273837,0.7592479927);(167.1430329,1.000792749);(168.1508575,0.679139902);(261.1485103,0.6683535555);(262.1563349,1.473975237);(355.2631406,1.485999718);(356.2709652,1.005642649);(367.2631406,0.6601179023);(368.2709652,0.6745862826);(369.2424055,0.8491774934);(369.2787898,1.802970832);(370.2502301,0.7041680527);(383.2580547,1.165816867);(383.294439,1.051025704);(384.3022636,1.055324828);(397.2737039,1.106612092);(398.2815285,0.858326298);(424.333562,0.6799837575);(425.3413866,0.7688074995);(427.2842672,0.7633330518);(440.2920918,0.9749136986);(441.2999164,2.078817839);(442.3033318,0.667467254);(442.307741,1.505154246);(442.3441253,0.6836225035);(452.3284761,0.9559416651);(453.3363007,0.9542760781);(454.307741,1.013532831);(455.3155656,3.47321246);(456.3189816,1.155100733)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,1.364485918);(211.1512583,0.9502365081);(225.1669075,0.6648040922);(279.2138551,0.8634391288);(335.2036833,0.7497997472);(431.2795914,0.7720264809);(432.287416,0.6888081976);(441.2819293,0.8244548365);(455.2975785,0.5990792066);(499.3421882,1.011350242);(500.3500128,0.7384309128);(511.3421882,0.6010918911);(512.3500128,0.5835280999);(513.3578374,1.502773518);(513.3758245,0.6060604528);(514.3604058,0.6867389208);(525.3758245,0.8654802176);(527.3734866,0.7752271797);(528.3813112,0.8174727605);(568.4126096,0.5915334079);(569.4204342,0.6687996769);(584.3711394,0.7206288395);(585.378964,1.793001274);(586.3815931,0.8819999737);(586.3867886,1.577360089);(587.3894189,0.7761599907);(587.3946132,0.6008078235);(598.3867886,0.9329865168);(599.3946132,7.452776114);(600.3972607,3.751776628);(601.3970499,1.47071912)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(139.1117345,1.446018076);(153.1273837,0.7592479927);(167.1430329,1.000792749);(168.1508575,0.679139902);(261.1485103,0.6683535555);(262.1563349,1.473975237);(355.2631406,1.485999718);(356.2709652,1.005642649);(367.2631406,0.6601179023);(368.2709652,0.6745862826);(369.2424055,0.8491774934);(369.2787898,1.802970832);(370.2502301,0.7041680527);(383.2580547,1.165816867);(383.294439,1.051025704);(384.3022636,1.055324828);(397.2737039,1.106612092);(398.2815285,0.858326298);(424.333562,0.6799837575);(425.3413866,0.7688074995);(427.2842672,0.7633330518);(440.2920918,0.9749136986);(441.2999164,2.078817839);(442.3033318,0.667467254);(442.307741,1.505154246);(442.3441253,0.6836225035);(452.3284761,0.9559416651);(453.3363007,0.9542760781);(454.307741,1.013532831);(455.3155656,3.47321246);(456.3189816,1.155100733)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(248.973,21.0);(293.179,11.0);(455.354,999.0);(456.357,295.0);(457.36,49.0);(513.313,11.0);(523.341,262.0);(524.344,80.0);(525.347,14.0);(551.341,14.0);(585.311,17.0);(591.328,77.0);(592.332,25.0);(653.298,14.0);(659.316,31.0);(660.318,11.0);(727.302,12.0);(911.713,35.0);(912.717,25.0);(933.695,15.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(248.973,21.0);(293.179,11.0);(455.354,999.0);(456.357,295.0);(457.36,49.0);(513.313,11.0);(523.341,262.0);(524.344,80.0);(525.347,14.0);(551.341,14.0);(585.311,17.0);(591.328,77.0);(592.332,25.0);(653.298,14.0);(659.316,31.0);(660.318,11.0);(727.302,12.0);(911.713,35.0);(912.717,25.0);(933.695,15.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(325.2154,3.0);(339.2327,3.0);(341.2482,3.0);(353.2478,7.0);(354.2522,2.0);(355.2644,187.0);(356.2678,46.0);(357.2731,6.0);(393.2809,5.0);(394.2825,2.0);(395.2936,2.0);(407.295,3.0);(409.311,104.0);(410.3153,29.0);(411.3187,5.0);(423.3258,37.0);(424.3304,13.0);(425.2623,1.0);(425.3438,759.0);(426.3467,265.0);(427.3492,36.0);(428.3516,4.0);(453.3038,2.0);(469.2542,2.0);(469.3341,999.0);(470.3369,376.0);(471.3386,52.0);(472.3405,6.0);(1217.681,2.0);(1223.2849,2.0);(1237.8197,2.0);(1261.2523,2.0);(1264.6123,1.0);(1272.7783,1.0);(1290.3938,1.0);(1296.766,2.0);(1297.5873,2.0);(1302.71,2.0);(1307.5,2.0);(1333.4899,1.0);(1335.7858,1.0);(1336.4908,1.0);(1348.2832,1.0);(1355.2668,1.0);(1392.1483,2.0);(1400.649,1.0);(1402.8112,1.0);(1404.4998,2.0);(1411.8367,1.0);(1416.7887,1.0);(1430.3718,2.0);(1440.5417,2.0);(1457.4,1.0);(1464.2062,2.0);(1465.1168,1.0);(1467.2144,1.0);(1470.9611,2.0);(1478.7018,2.0);(1481.0653,1.0);(1483.9261,2.0);(1488.7318,1.0);(1490.0596,2.0);(1491.4612,2.0);(1491.7894,2.0);(1491.9839,2.0);(1495.3141,2.0);(1501.9802,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(353.2479,1.0);(355.2637,16.0);(356.2672,3.0);(409.311,8.0);(410.3149,2.0);(423.3264,5.0);(424.3306,2.0);(425.3433,171.0);(426.3463,57.0);(427.3487,8.0);(469.3345,999.0);(469.4413,1.0);(470.3373,341.0);(471.3398,48.0);(472.3427,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.986,27.0);(151.9987,11.0);(161.026,15.0);(174.9574,23.0);(242.9454,12.0);(248.9695,20.0);(265.1501,17.0);(469.3347,999.0);(470.3372,316.0);(471.3423,59.0);(537.3219,179.0);(538.3263,65.0);(605.3099,83.0);(606.3137,28.0);(673.2958,40.0);(674.3039,23.0);(741.2803,32.0);(809.2719,21.0);(939.6752,54.0);(940.6757,28.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(469.3332,999.0);(470.3365,264.0);(471.3395,37.0);(537.3201,18.0);(939.675,850.0);(940.6785,529.0);(941.6818,159.0);(942.6852,29.0);(961.6588,20.0);(962.6625,12.0);(1410.0203,13.0);(1411.0253,13.0);(1432.0042,11.0);(1433.0084,11.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(469.3332,999.0);(470.3365,264.0);(471.3395,37.0);(537.3201,18.0);(939.675,850.0);(940.6785,529.0);(941.6818,159.0);(942.6852,29.0);(961.6588,20.0);(962.6625,12.0);(1410.0203,13.0);(1411.0253,13.0);(1432.0042,11.0);(1433.0084,11.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(469.3344,999.0);(470.3373,344.0);(471.3396,44.0);(472.3434,5.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(425.3426,3.0);(469.3344,999.0);(470.3374,342.0);(471.3397,44.0);(472.3424,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(325.2154,3.0);(339.2327,3.0);(341.2482,3.0);(353.2478,7.0);(354.2522,2.0);(355.2644,187.0);(356.2678,46.0);(357.2731,6.0);(393.2809,5.0);(394.2825,2.0);(395.2936,2.0);(407.295,3.0);(409.311,104.0);(410.3153,29.0);(411.3187,5.0);(423.3258,37.0);(424.3304,13.0);(425.2623,1.0);(425.3438,759.0);(426.3467,265.0);(427.3492,36.0);(428.3516,4.0);(453.3038,2.0);(469.2542,2.0);(469.3341,999.0);(470.3369,376.0);(471.3386,52.0);(472.3405,6.0);(1217.681,2.0);(1223.2849,2.0);(1237.8197,2.0);(1261.2523,2.0);(1264.6123,1.0);(1272.7783,1.0);(1290.3938,1.0);(1296.766,2.0);(1297.5873,2.0);(1302.71,2.0);(1307.5,2.0);(1333.4899,1.0);(1335.7858,1.0);(1336.4908,1.0);(1348.2832,1.0);(1355.2668,1.0);(1392.1483,2.0);(1400.649,1.0);(1402.8112,1.0);(1404.4998,2.0);(1411.8367,1.0);(1416.7887,1.0);(1430.3718,2.0);(1440.5417,2.0);(1457.4,1.0);(1464.2062,2.0);(1465.1168,1.0);(1467.2144,1.0);(1470.9611,2.0);(1478.7018,2.0);(1481.0653,1.0);(1483.9261,2.0);(1488.7318,1.0);(1490.0596,2.0);(1491.4612,2.0);(1491.7894,2.0);(1491.9839,2.0);(1495.3141,2.0);(1501.9802,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(353.2479,1.0);(355.2637,16.0);(356.2672,3.0);(409.311,8.0);(410.3149,2.0);(423.3264,5.0);(424.3306,2.0);(425.3433,171.0);(426.3463,57.0);(427.3487,8.0);(469.3345,999.0);(469.4413,1.0);(470.3373,341.0);(471.3398,48.0);(472.3427,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.986,27.0);(151.9987,11.0);(161.026,15.0);(174.9574,23.0);(242.9454,12.0);(248.9695,20.0);(265.1501,17.0);(469.3347,999.0);(470.3372,316.0);(471.3423,59.0);(537.3219,179.0);(538.3263,65.0);(605.3099,83.0);(606.3137,28.0);(673.2958,40.0);(674.3039,23.0);(741.2803,32.0);(809.2719,21.0);(939.6752,54.0);(940.6757,28.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(469.3332,999.0);(470.3365,264.0);(471.3395,37.0);(537.3201,18.0);(939.675,850.0);(940.6785,529.0);(941.6818,159.0);(942.6852,29.0);(961.6588,20.0);(962.6625,12.0);(1410.0203,13.0);(1411.0253,13.0);(1432.0042,11.0);(1433.0084,11.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(355.2643,1.0);(409.3109,1.0);(425.3429,22.0);(426.3465,6.0);(469.3345,999.0);(470.3375,335.0);(471.3391,43.0);(472.3413,4.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View 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LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(469.3321,100.0)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(425.3426,0.785502);(469.3321,100.0)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(353.2488,0.2521);(355.2642,3.822317);(409.311,1.418443);(423.3267,1.085981);(425.3428,32.459107);(469.3323,100.0)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(71.0504,0.516455);(99.0451,1.187482);(147.0814,0.269801);(185.097,0.144962);(201.1293,0.146001);(217.1596,0.868266);(253.159,0.145288);(283.2068,0.175368);(287.2015,0.257875);(289.2174,0.703001);(299.2375,0.148745);(323.2014,0.189424);(325.2175,1.739977);(337.2175,0.266597);(339.233,2.837727);(341.2484,1.601389);(353.2488,3.031286);(355.2643,88.758676);(357.281,0.862204);(379.2645,1.358932);(391.2633,0.197445);(393.2799,3.478397);(395.2945,0.143418);(407.2951,1.611919);(409.3113,49.07888);(423.3269,13.019595);(425.3427,100.0);(469.3324,57.615039)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(71.0503,1.271601);(81.0345,0.293019);(99.0452,0.64245);(137.0972,0.443244);(147.0815,2.436199);(171.0811,0.540052);(185.0975,0.504222);(198.1044,0.276511);(199.113,1.261795);(201.128,0.502962);(217.1597,0.999075);(233.1543,1.093217);(239.1442,1.2256);(253.1594,2.124162);(287.2013,1.034158);(289.2174,0.565176);(307.2062,1.192801);(321.2219,0.353082);(323.2017,2.440209);(323.2379,0.524381);(324.2094,2.503293);(325.2175,17.149834);(337.2175,0.516636);(338.2256,1.449911);(339.233,14.247817);(341.248,1.621067);(353.2492,2.77201);(355.2644,100.0);(377.2487,1.465366);(377.285,1.198445);(379.2643,12.066106);(391.2633,0.632905);(393.2801,11.347021);(395.2967,0.495242);(407.2955,3.56467);(409.3114,37.177014);(423.3268,5.360834);(425.343,5.15899)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(71.0504,11.503351);(81.0344,0.948046);(99.0452,1.088283);(107.0501,0.899974);(137.0971,3.204336);(145.0658,1.917324);(147.0817,11.056505);(156.0583,0.780687);(170.0736,4.015922);(171.0815,5.388251);(172.0893,1.907531);(173.0969,5.992726);(183.0812,1.973388);(184.0894,3.148226);(185.0971,11.631538);(197.0969,1.206129);(198.1049,1.523502);(199.113,4.246333);(224.1208,1.574176);(225.1283,4.490392);(233.1543,1.094472);(237.1282,4.72132);(239.1443,5.786163);(253.16,8.217677);(283.2069,0.994818);(287.2009,1.083159);(307.2067,6.439336);(309.1855,12.092642);(321.2219,1.83218);(323.2015,9.11831);(323.2387,4.112725);(324.2098,10.84861);(325.2174,100.0);(337.2175,1.079587);(338.2253,1.158495);(339.2329,21.776944);(353.2472,3.611257);(355.2643,98.814194);(377.2481,5.276673);(377.2851,1.160705);(379.2646,18.955179);(391.2639,1.824094);(393.2803,13.615392);(407.2954,1.078239);(409.3106,9.390666)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(71.0503,41.040048);(107.0503,7.127582);(130.0427,6.421977);(137.0973,6.981811);(145.0656,32.102976);(156.0577,5.636529);(157.0657,23.621801);(159.0452,5.947496);(169.066,18.124506);(170.0738,98.509227);(171.0816,100.0);(172.0892,40.081841);(173.097,37.873324);(183.0814,51.872804);(184.0888,26.780962);(185.0606,23.946869);(185.0973,60.726019);(195.0813,7.535201);(197.0602,5.210888);(197.0971,20.459092);(202.0635,20.555219);(209.0969,22.807963);(221.0978,7.052035);(223.1131,22.156615);(224.1206,8.248837);(225.1284,30.16583);(237.1284,20.855971);(239.144,21.017151);(253.16,7.561068);(307.2073,6.53189);(309.1855,30.958655);(323.2013,19.959584);(323.2376,5.769787);(325.2179,43.198419)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(130.042,8.44126);(156.0577,5.70013);(157.0657,15.232464);(159.0454,6.683132);(169.0658,10.374202);(170.0739,69.877791);(171.0816,100.0);(183.0811,56.500917);(185.0607,25.741261);(195.0807,8.532183);(197.0605,6.470815);(221.0972,9.342963);(223.1129,7.899795)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(156.0582,22.838266);(170.0736,100.0);(171.0813,49.246368);(183.0816,24.384998)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(295.3,1.538462);(369.6,1.318681);(371.2,0.879121);(431.3,0.43956);(433.4,3.736264);(469.7,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(99.3,1.714286);(259.1,2.571429);(303.2,0.857143);(356.9,0.857143);(369.4,5.428571);(371.5,3.428571);(469.7,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(97.0,2.588997);(98.6,1.618123);(98.9,6.796117);(155.1,1.941748);(293.7,1.294498);(469.6,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(97.0,10.243902);(99.1,6.341463);(110.9,1.95122);(116.4,0.97561);(133.2,1.463415);(175.2,1.95122);(469.6,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(78.6,2.150538);(96.8,19.354839);(98.8,17.204301);(425.5,21.505376);(469.7,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.285946,1.278661);(355.296019,14.230309);(356.312634,2.395774);(409.359958,4.493222);(410.375215,1.093141);(423.408489,4.090372);(424.416676,0.885438);(425.438605,100.0);(426.447001,19.311629)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.281185,1.576313);(355.350195,17.322349);(356.366064,2.832195);(409.414896,5.681507);(410.417421,1.265188);(423.451684,4.344968);(424.416676,1.07431);(425.413675,100.0);(426.398319,18.781235)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.445182,1.043224);(355.471376,12.069121);(356.470734,0.842952);(409.509324,3.971093);(423.591387,2.881819);(425.456593,100.0);(426.380098,5.767461)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.518444,1.186554);(355.543897,14.428008);(356.583341,1.717039);(409.582797,4.818043);(410.613754,0.807402);(423.682636,3.239098);(425.500965,100.0);(426.333343,11.136349);(470.422323,1.088995)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.283215,1.195234);(355.304495,14.628115);(409.381155,4.417861);(423.42367,3.723942);(425.380285,100.0);(426.385741,0.600366)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.342618,1.324212);(355.352446,14.724603);(356.388085,0.565653);(409.432523,4.962054);(423.452879,3.784677);(425.411719,100.0);(426.375106,4.257394)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(353.337126,1.403695);(355.371609,14.902083);(356.378388,0.903583);(409.405551,4.76725);(410.413819,0.551443);(423.454395,3.756275);(425.434469,100.0);(426.402426,6.973383)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(355.326531,0.851489);(425.409513,2.231072);(467.413969,0.906924);(468.33334,0.760991);(469.419251,99.312207);(470.401714,0.531474);(854.684097,0.620274)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(355.301027,0.601949);(425.444373,2.192698);(469.43779,100.0)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(471.3468,100.0)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(81.0698,0.386824);(93.0699,0.123105);(95.049,0.123294);(95.0855,1.332806);(97.0647,0.112854);(107.0855,0.607172);(109.1011,0.762468);(111.0803,0.153062);(119.0855,0.57612);(121.1011,0.86084);(123.0804,0.124728);(123.1167,0.65291);(133.1011,0.445465);(135.08,0.176839);(135.1167,1.981126);(137.1324,0.244792);(139.1117,0.330199);(145.1013,0.142355);(147.1167,0.336116);(149.0961,0.350222);(149.1325,0.445707);(153.1273,0.193089);(159.1168,0.27978);(161.0962,0.156501);(161.1325,0.758522);(163.1481,0.435938);(171.1166,0.113211);(173.1324,0.443515);(175.1119,0.118029);(175.1481,1.731449);(177.1637,1.653722);(179.1429,0.500604);(187.148,0.343079);(189.1637,3.993639);(191.1793,1.852428);(193.1587,0.208385);(199.1481,0.420414);(201.1637,0.355813);(203.1795,0.203839);(205.1585,0.113489);(207.1743,0.675279);(209.1899,0.195787);(213.1637,0.276277);(215.143,0.138939);(215.1794,0.236775);(217.1587,2.843911);(219.1742,0.19629);(221.1534,0.429111);(227.1792,0.278937);(229.1951,0.110157);(231.1742,0.269342);(235.1692,5.815181);(241.1949,0.251151);(245.1539,0.376286);(245.19,0.585241);(249.1486,0.118422);(253.1949,0.223679);(255.2106,0.299493);(257.1902,0.160125);(259.2056,0.25432);(261.1481,0.202137);(261.1846,0.115993);(263.1641,3.215956);(267.2109,0.24283);(269.2263,0.141704);(271.2054,0.800822);(273.1846,0.224965);(273.2212,0.215868);(275.2006,0.154618);(277.1797,0.411739);(285.221,0.2632);(289.1801,0.119081);(289.2164,0.272748);(291.1954,0.853518);(299.2007,0.267804);(301.2154,0.169887);(303.1961,0.189568);(303.2314,0.128444);(313.2159,0.212572);(315.2323,0.243023);(317.2111,4.958828);(327.2328,0.106091);(329.2108,0.166273);(331.2258,0.23805);(357.242,0.125734);(389.3206,0.753591);(407.3308,2.710526);(425.3414,3.198563);(435.3258,0.948226);(453.3365,2.133236);(471.3468,100.0)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(51.0228,0.155336);(53.0385,0.695354);(55.0542,4.573687);(57.0335,1.469325);(57.0699,3.354744);(59.0491,1.354532);(65.0384,0.167668);(67.0542,7.104241);(69.0335,3.519574);(69.0698,10.046348);(71.0491,1.74025);(71.0854,0.892603);(73.0646,0.55887);(77.0384,0.908414);(79.0541,4.167946);(81.0699,32.680951);(83.0491,13.916907);(83.0855,7.756445);(85.0647,3.60161);(91.0542,3.769718);(93.0699,23.070973);(95.0491,6.886788);(95.0855,75.136015);(97.0648,7.416672);(97.1012,5.256298);(99.0804,1.531164);(105.0699,13.992494);(107.0855,58.484138);(109.0648,7.331981);(109.1012,43.036522);(111.0804,6.600517);(111.1168,2.08468);(113.0595,0.213534);(113.0961,1.269693);(117.0697,0.821637);(119.0855,47.027253);(120.0931,0.209874);(121.0648,6.95473);(121.1012,65.959264);(123.0804,8.919315);(123.1168,32.213159);(125.0598,1.056057);(125.0961,5.616582);(127.0753,0.247534);(127.1119,0.688978);(129.0695,0.136934);(131.0856,5.397472);(133.1012,35.613731);(135.0804,18.102256);(135.1168,86.254595);(137.0961,5.288163);(137.1325,9.812382);(139.0753,2.587492);(139.1117,11.328133);(141.091,1.977944);(141.1271,0.245541);(143.0856,2.747497);(145.1012,12.236422);(146.1085,0.200902);(147.0805,2.118704);(147.1168,24.692114);(149.0961,75.192684);(149.1325,20.496639);(151.0752,0.606928);(151.1118,5.441788);(151.1481,1.16037);(153.0908,0.980413);(153.1274,4.734068);(155.0856,0.301305);(156.0932,0.155908);(157.1012,9.456207);(159.0808,1.121989);(159.1168,16.971627);(161.0961,9.434588);(161.1325,30.282819);(163.1117,7.644685);(163.1481,12.911616);(165.0913,1.082941);(165.1274,3.248634);(165.164,0.675711);(167.1068,3.692375);(169.1012,1.736416);(171.1168,9.876616);(173.0959,1.50639);(173.1325,28.757087);(175.1118,7.360739);(175.1481,55.79736);(177.1274,4.878624);(177.1638,26.277337);(179.1066,3.964278);(179.1429,5.032886);(181.1221,1.185295);(183.1169,2.429363);(184.1248,0.2901);(185.1325,5.269741);(187.1119,1.543864);(187.1481,14.088925);(189.1274,6.546784);(189.1638,100.0);(191.1429,3.41062);(191.1794,10.659128);(193.1224,2.30156);(193.1589,2.977068);(195.1166,0.249989);(197.1324,6.811691);(199.1481,19.161837);(201.1273,2.613867);(201.1637,10.334422);(203.1066,0.358708);(203.143,3.955328);(203.1795,2.809725);(205.1222,1.938574);(205.1588,2.005036);(207.1379,1.234513);(207.1744,4.853809);(209.1324,0.770831);(209.1895,0.21298);(211.1482,5.172771);(213.1638,12.722798);(215.1431,17.702282);(215.1795,7.261881);(217.1587,36.335104);(217.1946,2.079688);(219.1381,4.472564);(219.1743,1.868958);(221.1536,6.356533);(223.148,0.320303);(225.1637,3.316587);(227.1433,0.94087);(227.1794,10.111651);(228.187,0.202947);(229.1587,5.387762);(229.1951,5.535537);(231.1745,5.570725);(231.2111,0.560956);(233.1537,1.942568);(233.1903,0.809443);(235.1693,49.165004);(237.1636,0.91753);(237.1844,0.244055);(239.1795,2.846475);(241.195,6.839522);(243.1382,1.017314);(243.1746,1.823998);(243.2107,5.649436);(245.1536,8.580244);(245.19,10.73884);(247.1693,0.775644);(249.1497,1.329925);(249.1849,0.219483);(251.1798,0.60588);(252.1875,0.182055);(253.195,15.375097);(255.1742,0.777121);(255.2106,3.838974);(257.1539,1.208456);(257.1898,7.917435);(257.2264,0.723019);(259.1691,2.946806);(259.2058,2.095112);(261.1485,12.833246);(261.185,1.180373);(263.1642,11.086427);(265.1948,1.529167);(267.2106,7.226519);(269.1901,0.98735);(269.2257,1.723134);(271.2056,35.866161);(273.1849,4.129534);(273.2211,1.558135);(275.1641,2.306207);(275.2004,2.610331);(277.1801,3.577362);(277.2163,0.360732);(279.2114,1.061906);(281.2267,1.360145);(283.2054,1.620597);(285.1855,1.992814);(285.2209,5.02441);(287.1644,0.207634);(287.2004,2.495197);(287.2363,0.273429);(289.18,1.987489);(289.2163,4.123182);(291.1955,5.761168);(293.2264,1.006715);(297.2219,1.031077);(299.2005,10.278612);(299.2369,0.936515);(301.1799,0.342625);(301.2163,2.907872);(303.1954,4.002431);(303.232,1.568399);(311.2007,0.830486);(311.2375,1.766617);(313.2162,4.390012);(313.2528,0.22841);(315.1955,0.366213);(315.2323,1.521235);(317.2112,69.064058);(319.2421,0.594261);(323.236,0.215978);(325.2165,0.841292);(327.2325,1.585945);(327.2676,0.77195);(329.2112,3.439833);(329.2468,0.34595);(331.2267,3.929986);(337.2528,0.306351);(339.232,0.87916);(341.2474,0.982367);(343.227,0.745678);(345.2422,0.334654);(351.2677,0.952142);(355.2636,0.627144);(357.2423,0.703616);(359.2571,0.28848);(365.2479,0.711936);(368.2706,0.26771);(379.263,0.832278);(379.3361,0.223404);(383.2576,0.244071);(389.3202,4.699009);(407.331,16.123989);(425.3414,11.860604);(435.3259,4.955458);(453.3366,4.871635);(471.347,43.891422)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(51.0228,0.342254);(53.0022,0.715759);(53.0385,1.496125);(55.0179,0.962316);(55.0542,16.035882);(57.0335,2.592921);(57.0699,5.571008);(59.0491,1.999094);(65.0385,1.52437);(67.0542,23.841015);(67.9893,0.208973);(69.0335,8.854394);(69.0699,19.881031);(71.0491,2.846554);(71.0855,0.786256);(73.0648,0.371024);(77.0384,1.439716);(79.0542,20.339058);(81.0699,61.440034);(83.0491,23.657066);(83.0855,10.088281);(85.0648,3.151766);(91.0542,18.177502);(93.0699,58.761666);(95.0492,8.727919);(95.0855,96.85332);(97.0648,10.248039);(97.1012,4.485415);(99.0804,0.990606);(103.0543,0.792015);(105.0699,41.658075);(107.0855,100.0);(109.0648,11.908406);(109.1012,46.820151);(111.0804,7.498853);(113.0596,0.182699);(113.0961,0.357304);(115.0541,0.356164);(116.0621,0.618406);(117.0699,3.973099);(118.0778,0.133762);(119.0856,79.363049);(120.0933,0.71168);(121.0648,10.648316);(121.1012,88.953032);(123.0804,10.264193);(123.1168,22.908359);(125.0598,1.196783);(125.0961,4.763851);(127.0753,0.234745);(128.0616,0.612111);(129.0699,2.32965);(130.0778,0.796754);(131.0856,15.87431);(132.0933,0.213829);(133.1012,51.962076);(134.1092,0.29036);(135.0804,33.071897);(135.1168,53.813502);(137.0961,6.098258);(137.1325,4.770084);(139.0754,0.875886);(139.1118,8.088583);(141.0698,0.3298);(141.0909,0.572192);(142.0778,1.070749);(143.0856,7.066966);(144.0934,1.284169);(145.1012,22.559549);(146.0726,0.226448);(146.1091,0.888435);(147.0805,3.645813);(147.1168,32.280448);(149.0962,94.762618);(149.1325,9.44069);(151.0754,0.310206);(151.1117,4.230456);(153.0908,0.771969);(153.1276,1.407276);(155.0855,2.936334);(156.0934,1.716713);(157.1012,17.107713);(158.109,1.269695);(159.0804,2.630026);(159.1168,22.972415);(160.1247,1.719419);(161.0961,9.989963);(161.1325,21.493269);(163.1117,8.86962);(163.1481,4.658387);(165.0694,0.164722);(165.0913,0.64678);(165.1274,1.360587);(167.1066,1.390424);(169.1012,4.392463);(170.1088,0.765888);(171.1168,13.815975);(172.1246,0.934399);(173.096,3.841279);(173.1326,35.748721);(174.1042,0.178472);(174.1404,0.349632);(175.1118,8.070557);(175.1482,29.463702);(177.1275,2.865718);(177.1638,3.536475);(179.1066,0.736959);(179.143,0.257651);(181.1012,0.288693);(181.1218,0.160546);(182.109,1.533706);(183.117,4.787429);(184.125,1.196839);(185.1325,6.84882);(186.1036,0.169896);(187.1119,1.447115);(187.1481,11.530293);(189.1274,4.67653);(189.1638,34.237066);(191.143,2.50354);(191.1792,1.166598);(193.1007,0.207762);(193.1226,0.209539);(193.1588,0.507532);(195.1169,0.933298);(196.1247,0.898449);(197.1325,9.616426);(198.1403,0.76259);(199.1482,14.12256);(201.1276,2.877623);(201.1638,4.467136);(203.1065,0.270022);(203.1432,2.244881);(203.1794,0.945143);(205.1223,0.712257);(205.1588,0.794358);(207.1744,0.353248);(209.1324,1.451045);(210.1404,0.716609);(211.1482,7.727788);(212.1559,0.311128);(213.1638,8.7946);(215.1431,13.126158);(215.1794,2.857209);(217.1588,6.275366);(217.195,0.35255);(219.1383,1.243775);(221.1537,0.310793);(223.148,1.338154);(224.1558,0.897318);(225.1639,2.444306);(227.143,0.741279);(227.1795,4.167699);(228.1875,0.336936);(229.1586,2.433693);(229.1951,2.426931);(231.1744,1.313897);(233.1536,0.347872);(235.1489,0.15707);(235.1694,2.907834);(237.1635,0.789935);(238.1716,0.92457);(239.1795,2.705579);(241.1951,2.501372);(243.1379,0.885869);(243.1744,0.889844);(243.211,2.560066);(245.1536,1.758749);(245.1896,1.227303);(247.1683,0.260495);(251.1791,0.604803);(252.187,0.34051);(253.1951,7.425363);(255.1744,0.560359);(255.2111,1.118469);(257.1535,0.604635);(257.1899,2.061319);(259.1689,0.571459);(259.2053,0.177891);(261.1485,3.319334);(263.1636,0.22767);(265.1952,0.686514);(267.2108,2.442223);(271.2057,5.8077);(273.1847,0.339765);(275.1639,0.895675);(275.2008,0.618347);(277.1807,0.19028);(279.2099,0.244026);(281.2253,0.222406);(283.2055,0.18467);(285.1857,0.532604);(285.2215,0.702446);(287.1641,0.201099);(287.2008,0.328574);(289.2165,0.202428);(291.1949,0.24377);(293.227,0.169585);(297.2221,0.19422);(299.2009,1.877064);(301.1803,0.168125);(303.195,0.356433);(313.2162,0.956677);(317.2111,3.394516);(327.2321,0.186129);(407.3312,0.270038)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.015,0.216615);(51.0228,0.344925);(52.0305,0.189523);(53.0022,2.277686);(53.0386,4.690537);(55.0179,2.441944);(55.0543,32.657395);(57.0335,3.317249);(57.0699,5.56666);(59.0492,2.560003);(63.0229,0.226025);(65.0386,5.758694);(66.0464,0.213986);(67.0542,50.45131);(67.9892,0.418861);(69.0335,11.579873);(69.0699,25.613452);(71.0491,2.272482);(71.0856,0.256747);(73.0648,0.680368);(77.0385,3.492587);(78.0463,0.259346);(79.0542,50.756715);(80.062,0.223945);(81.0699,77.962424);(83.0491,21.506353);(83.0855,8.076478);(85.0648,1.70147);(91.0543,59.966923);(92.0621,0.416951);(93.0699,88.235206);(94.0412,0.21586);(94.0778,0.308298);(95.0492,14.50742);(95.0855,96.424408);(97.0648,8.451583);(97.1012,2.782739);(99.0804,0.347512);(103.0542,3.84942);(104.062,0.738489);(105.0448,4.513328);(105.0699,83.696145);(106.0777,1.646064);(107.0855,100.0);(108.0567,0.211618);(108.0934,0.204886);(109.0648,15.79964);(109.1012,31.408419);(111.0804,5.61466);(115.0542,3.160024);(116.0621,1.797928);(117.0699,11.474935);(118.0777,0.786264);(119.0856,96.322655);(120.0933,1.276294);(121.0648,15.634901);(121.1012,74.547456);(122.0724,0.376275);(123.0804,10.165262);(123.1168,9.906863);(125.0598,0.395958);(125.0961,2.658969);(128.0621,2.904197);(129.0699,7.210416);(130.0778,3.373537);(131.0856,28.075278);(132.0934,0.82609);(133.0649,2.44466);(133.1012,48.541229);(134.0726,0.409286);(134.1087,0.3746);(135.0805,40.976561);(135.1168,19.766087);(137.0961,4.090545);(137.1326,1.370914);(139.0753,0.300165);(139.1118,3.151095);(141.0699,1.609224);(142.0778,6.678661);(143.0856,13.659654);(144.0934,4.915829);(145.1012,28.37912);(146.0727,0.742489);(146.109,1.440599);(147.0805,4.888957);(147.1168,21.685853);(149.0962,54.199498);(151.1117,1.533831);(153.0699,0.812622);(153.1275,0.251003);(154.0775,0.424219);(155.0855,5.173561);(156.0934,6.301147);(157.1012,16.531137);(158.0729,0.275079);(158.1091,5.041276);(159.0805,4.187296);(159.1169,19.227953);(160.0882,1.425559);(160.1246,2.070404);(161.0961,6.638165);(161.1326,8.679659);(163.1117,4.157473);(163.1482,0.788006);(167.0855,1.315247);(168.0933,1.485965);(169.1012,7.660746);(170.109,2.403354);(171.1168,11.157672);(172.0882,0.819705);(172.1248,1.254197);(173.0961,3.373189);(173.1326,18.932586);(174.1037,0.283676);(174.1403,0.961959);(175.1118,3.863233);(175.1481,8.402024);(177.1276,1.076106);(179.0859,0.80724);(181.101,2.316276);(182.1089,3.862599);(183.117,5.493326);(184.1247,2.636271);(185.0963,0.684037);(185.1325,3.59986);(186.1037,0.390819);(186.1407,0.306474);(187.112,1.587483);(187.1481,4.829686);(189.1276,1.425136);(189.1639,6.635556);(191.1429,0.873193);(193.1008,0.338812);(194.1089,0.326301);(195.1171,2.120308);(196.1247,2.085519);(197.1326,6.573273);(198.1403,1.16251);(199.1117,0.390193);(199.1481,6.068034);(200.1196,0.876615);(201.1276,1.620179);(201.1638,1.410909);(203.1429,0.373158);(205.1218,0.222786);(209.1326,1.917957);(210.1402,0.696674);(211.1483,3.861787);(212.1558,0.259238);(213.1272,0.284686);(213.1636,2.555287);(215.1431,3.250707);(215.1789,0.389372);(217.1586,0.413403);(223.148,1.183573);(224.156,0.435238);(225.1638,1.266422);(227.1431,0.391105);(227.1792,0.908631);(229.1588,0.698233);(229.1957,0.219241);(237.1639,0.951749);(238.1715,0.767552);(239.1787,0.750225);(243.1373,0.257146);(243.1751,0.234648);(251.1798,0.322014);(253.1952,0.401176);(261.1491,0.29108)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.0151,0.694497);(51.0228,0.855787);(53.0022,2.255137);(53.0386,8.183556);(53.9974,0.178612);(55.0179,3.028154);(55.0543,37.943764);(57.0335,2.770701);(57.0699,3.947565);(59.0492,2.635526);(63.0228,0.162345);(65.0386,10.045139);(66.0464,0.790845);(67.0542,56.170735);(67.9893,0.53595);(69.0335,8.74684);(69.0699,16.708638);(71.0492,1.141376);(71.0855,0.131141);(73.0649,0.300419);(77.0385,5.943637);(78.0464,0.690861);(79.0542,65.984096);(80.0621,0.977935);(81.0699,61.755005);(83.0491,12.522465);(83.0855,3.130074);(85.0647,1.129311);(91.0542,100.0);(92.0621,1.104446);(93.0699,70.482904);(94.0414,0.523081);(94.0778,0.887169);(95.0492,22.934919);(95.0855,55.211627);(97.0648,5.089567);(102.0465,0.148345);(103.0542,8.431085);(104.0621,1.818135);(105.0448,10.471176);(105.0699,99.516539);(106.0414,0.293016);(106.0777,2.32518);(107.0491,3.366534);(107.0855,52.536093);(108.057,0.779418);(108.0932,0.538643);(109.0648,12.338797);(109.1012,11.809711);(111.0805,2.82084);(115.0543,7.282482);(116.0621,4.251058);(117.0699,16.121771);(118.0777,1.350063);(119.0605,5.214334);(119.0856,67.356615);(120.0569,0.229196);(120.0933,1.654733);(121.0648,10.55072);(121.1012,30.816303);(122.0724,0.873957);(123.0805,5.91518);(123.1168,2.259957);(125.0599,0.186762);(125.0962,0.895594);(128.0621,6.976127);(129.0699,11.90563);(130.0778,5.024034);(131.0856,24.605815);(132.0571,0.20537);(132.0934,1.13795);(133.0648,2.323506);(133.076,1.991788);(133.1012,22.581916);(134.0725,1.045202);(134.109,0.267303);(135.0804,26.653574);(135.1168,3.981065);(137.0961,1.193605);(137.1325,0.203741);(139.1119,0.865499);(141.0699,5.916599);(142.0778,10.546353);(143.0856,13.762885);(144.0933,5.335225);(145.0648,1.933984);(145.1012,18.542743);(146.0725,1.248121);(146.1093,0.853951);(147.0804,2.140564);(147.1168,7.696929);(148.0883,0.231031);(149.0961,18.096071);(151.112,0.262303);(152.0616,0.152548);(153.07,2.029311);(154.0778,1.005486);(155.0604,0.831455);(155.0855,6.481689);(156.0934,7.488548);(157.1012,8.607531);(158.0724,0.924555);(158.109,4.284756);(159.0806,2.577002);(159.1168,7.329146);(160.0885,1.091303);(160.1247,0.819416);(161.0961,2.620886);(161.1325,1.841139);(163.1117,0.910396);(163.1476,0.171258);(165.0699,0.843268);(166.0777,0.198416);(167.0856,3.601805);(168.0933,1.556455);(169.1012,5.749603);(170.1091,1.854729);(171.0805,0.490226);(171.1169,3.894827);(172.0879,0.500378);(172.1246,0.518601);(173.0961,1.387775);(173.1326,4.889904);(174.1044,0.429652);(175.1117,0.987524);(175.1481,1.497713);(178.077,0.16082);(179.0855,0.851012);(180.0934,0.513079);(181.1011,3.739397);(182.1091,2.508722);(183.1169,3.606344);(184.1247,0.910016);(185.0959,0.875077);(185.1323,1.376267);(186.1036,0.223599);(186.1401,0.125607);(187.112,0.884884);(187.1481,0.662446);(189.1273,0.270039);(189.1634,0.276254);(192.0931,0.222194);(193.1014,0.604376);(194.1092,0.698843);(195.1168,2.156645);(196.1249,1.239021);(197.1325,2.426356);(198.1408,0.441635);(199.1116,0.712552);(199.1483,1.023618);(200.1193,0.214829);(201.1272,0.703954);(209.1327,0.861615);(210.1403,0.271555);(211.1486,0.928157);(213.1272,0.293857);(213.1641,0.154039);(215.143,0.734481);(223.1481,0.950403);(225.1638,0.151538);(227.1429,0.220533);(227.1797,0.121253);(235.1481,0.222788);(237.1637,0.169077)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.0151,1.246786);(51.0229,1.383952);(53.0022,2.192381);(53.0386,11.080624);(53.9975,0.595731);(55.0179,2.358473);(55.0543,24.795462);(57.0335,0.658758);(57.0699,0.949776);(59.0492,1.035546);(63.0228,0.645124);(65.0386,19.573773);(66.0463,0.858546);(67.0542,31.226402);(67.9893,0.207657);(69.0335,2.420202);(69.0699,3.37858);(71.0492,0.316482);(77.0386,9.118126);(78.0464,2.303894);(79.0542,51.964201);(80.062,1.051426);(81.0335,1.110449);(81.0699,20.279811);(83.0491,2.067104);(83.0855,0.176737);(89.0384,0.349022);(91.0543,100.0);(92.0621,1.893205);(93.0699,17.790241);(94.0413,0.929493);(94.0778,0.215219);(95.0492,31.095718);(95.0856,9.616498);(97.0648,0.944545);(102.0466,0.680445);(103.0542,12.357301);(104.0621,3.262539);(105.0448,15.571005);(105.0699,44.585289);(106.0416,0.170173);(106.0777,1.283102);(107.0491,2.446922);(107.0855,6.6807);(108.057,0.637649);(109.0649,4.17752);(109.1012,0.711951);(111.0804,0.210068);(115.0543,15.333822);(116.0621,5.223306);(117.0699,11.725273);(118.0777,1.125167);(119.0492,0.783417);(119.0605,2.479558);(119.0856,14.330529);(120.0573,0.317598);(120.0933,0.170815);(121.0648,3.194972);(121.1012,1.926707);(122.0726,0.326215);(123.0804,0.719966);(127.0541,0.558798);(128.0621,13.955785);(129.0699,12.29045);(130.0778,3.343858);(131.0491,0.537571);(131.0856,6.521921);(132.0571,0.409315);(132.0935,0.157025);(133.0647,0.874829);(133.076,0.371397);(133.1012,2.272282);(135.0805,4.15202);(141.0699,10.312968);(142.0778,6.623999);(143.0856,6.227996);(144.0572,0.602026);(144.0934,1.114024);(145.0648,2.065627);(145.1013,2.670039);(146.0726,0.183489);(147.0804,0.419871);(149.0963,0.850903);(152.0621,1.552987);(153.0699,3.768391);(154.0778,1.804278);(155.0605,1.505986);(155.0855,3.757635);(156.0933,1.725858);(157.0649,0.440076);(157.1012,1.640547);(158.0727,0.189078);(158.1092,0.167756);(159.0806,0.710457);(159.1168,0.636942);(160.0884,0.147106);(165.0699,2.758508);(166.0778,1.210432);(167.0856,2.98806);(168.0935,0.706162);(169.0644,0.136745);(169.1012,1.685913);(170.109,0.345147);(171.0804,0.529562);(171.1167,0.342378);(178.0774,0.605684);(179.0856,1.116724);(180.0933,0.442658);(181.1013,1.239039);(182.109,0.36345);(183.1169,0.693554);(184.1245,0.116338);(185.0964,0.106262);(185.1324,0.121888);(191.0853,0.167716);(192.0932,0.421077);(193.1009,0.49172);(194.1086,0.148039);(195.1168,0.348894)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.0151,5.079288);(51.023,5.964247);(52.0307,0.128856);(53.0022,4.397231);(53.0386,19.107766);(53.9975,0.952665);(55.0179,2.53826);(55.0543,19.177014);(57.0335,0.416299);(57.0699,0.208378);(59.0491,0.693145);(62.0151,0.130822);(63.0229,1.563056);(65.0386,42.655157);(66.0464,1.644412);(67.0543,20.563754);(67.9893,0.555131);(68.9971,0.155395);(69.0335,1.126091);(69.0699,1.165175);(75.023,0.216458);(76.0306,0.137731);(77.0386,14.794497);(78.0464,5.984857);(79.0542,43.076961);(80.0621,0.986087);(81.0335,1.861062);(81.0699,7.428054);(83.0492,0.16845);(89.0386,1.489692);(90.0464,0.181368);(91.0543,100.0);(92.0621,1.61069);(93.07,5.279141);(94.0413,1.681095);(94.0778,0.128867);(95.0492,47.993536);(97.0647,0.163974);(102.0465,1.813619);(103.0543,14.891045);(104.0621,3.340184);(105.0448,24.462632);(105.07,20.382919);(106.0778,0.534007);(107.0491,1.787495);(107.0856,0.858666);(108.0572,0.191861);(109.0649,1.430387);(115.0543,30.518949);(116.0621,3.989872);(117.07,7.455374);(118.0777,0.24777);(119.0493,0.668823);(119.0604,0.566417);(119.0857,3.083306);(120.0573,0.176847);(121.0649,0.746589);(126.0465,0.398881);(127.0543,1.936859);(128.0621,24.870134);(129.0699,9.896701);(130.0778,1.42749);(131.0491,1.047823);(131.0855,1.500479);(132.0571,0.103494);(133.0649,0.248251);(133.1011,0.201363);(135.0806,0.226445);(139.0543,0.16009);(141.0699,12.779753);(142.0778,3.12252);(143.0858,1.648851);(144.0571,0.46147);(145.0649,2.02258);(145.1013,0.558073);(147.0803,0.107439);(152.0622,4.311179);(153.07,5.009214);(154.0777,1.228958);(155.0604,3.498074);(155.0856,1.979279);(157.0649,0.592119);(165.07,5.944717);(166.0777,1.269808);(167.0857,1.567386);(168.0933,0.134633);(169.0646,0.484143);(169.1011,0.187877);(178.0778,2.237777);(179.086,1.175235);(180.0933,0.157452);(189.0699,0.219911);(191.0859,0.203346);(193.1017,0.137764)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.0151,13.616585);(51.023,23.051032);(52.0308,0.310477);(53.0022,8.729024);(53.0386,27.177466);(53.9975,1.952935);(55.0179,2.718029);(55.0543,14.22559);(57.0335,0.215712);(57.0698,0.184655);(59.0492,0.286982);(62.0151,0.944275);(63.0229,6.739993);(65.0386,77.538417);(66.0464,3.033166);(67.0542,12.906083);(67.9893,0.549353);(68.9971,0.138543);(69.0336,0.353101);(69.0699,0.329178);(75.0229,1.299605);(76.0307,0.353338);(77.0386,22.779364);(78.0464,12.355981);(79.0542,34.850323);(80.0621,0.625734);(81.0335,2.278856);(81.0699,2.916746);(83.0492,0.190655);(89.0386,6.444147);(90.0464,0.153177);(91.0543,100.0);(92.062,0.761469);(93.0699,1.511272);(94.0414,2.174624);(95.0492,64.844314);(102.0464,6.089196);(103.0543,16.607973);(104.0621,2.515667);(105.0448,32.848549);(105.0699,9.554176);(106.0416,0.243103);(107.0492,1.975929);(109.0647,0.302517);(115.0543,57.025954);(116.0621,4.333366);(117.0699,4.300909);(119.0493,0.733803);(119.0858,0.75475);(126.0465,1.847042);(127.0542,3.904709);(128.0621,33.975721);(129.0699,7.56387);(130.0778,0.330281);(131.0492,0.982233);(131.0859,0.170209);(133.0649,0.152769);(139.0542,1.51625);(141.0699,12.463473);(142.0777,1.33899);(143.0853,0.548956);(145.0649,2.928603);(152.0621,10.295535);(153.07,4.615313);(154.0778,0.608799);(155.0604,5.268467);(155.0856,0.373106);(157.0648,0.293783);(165.07,10.038283);(166.0777,0.696439);(167.0855,0.653317);(169.065,1.625764);(178.0778,2.39215);(179.0858,0.269875);(189.0696,0.567966);(191.0856,0.159785)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(146.1,1.754386);(255.0,0.438596);(322.1,0.584795);(323.6,1.608187);(326.3,0.730994);(343.2,0.292398);(348.6,0.584795);(350.3,1.461988);(471.7,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(131.2,1.41844);(174.8,2.364066);(175.5,1.182033);(267.7,0.945626);(323.4,1.654846);(374.2,1.41844);(453.3,0.472813);(471.7,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(131.3,3.202847);(148.9,1.067616);(174.9,6.049822);(196.5,2.135231);(235.4,2.846975);(323.8,1.067616);(453.3,1.067616);(471.7,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(95.0,3.448276);(114.4,6.896552);(116.1,12.068966);(121.4,10.344828);(134.8,15.517241);(146.9,18.965517);(149.4,15.517241);(163.2,8.62069);(174.9,17.241379);(177.0,12.068966);(179.4,8.62069);(189.4,27.586207);(193.1,6.896552);(196.9,6.896552);(217.4,6.896552);(235.1,31.034483);(277.7,6.896552);(317.7,27.586207);(471.8,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(83.8,30.769231);(119.1,69.230769);(121.0,76.923077);(135.1,100.0);(149.4,53.846154);(160.9,23.076923);(189.3,30.769231);(198.9,46.153846);(235.7,38.461538);(253.3,23.076923);(285.0,30.769231)
LC-MS/MS	LC-ESI-IT	positive	Not Available	View Spectrum	(121.2,0.007509);(127.1,0.011234);(129.2,0.16229);(130.0,0.077846);(131.1,2.007193);(132.2,0.011614);(133.1,11.042524);(133.8,0.025204);(135.1,8.374542);(137.1,1.417804);(139.1,2.427329);(141.1,3.257036);(142.1,2.66891);(143.1,3.921642);(144.2,0.77816);(145.1,8.692129);(146.0,0.231259);(147.1,7.683653);(149.1,10.629928);(149.9,0.068923);(151.1,1.530948);(152.0,0.226835);(153.1,1.472027);(154.1,0.281195);(155.1,1.953015);(156.1,2.666082);(157.1,10.001061);(158.1,1.000906);(159.1,12.293554);(160.1,0.467489);(161.1,20.025243);(162.2,0.038748);(163.1,4.799766);(164.1,0.009866);(165.1,1.220779);(166.2,0.08531);(167.1,0.92309);(168.0,0.292521);(169.1,1.958913);(170.1,0.454871);(171.1,9.791236);(172.2,0.245396);(173.1,18.962134);(174.2,0.218627);(175.1,30.568918);(176.1,0.120699);(177.2,15.352926);(178.2,0.054451);(179.1,3.737279);(180.0,0.02455);(181.1,0.764858);(182.1,0.399858);(183.1,1.815457);(184.1,0.414694);(185.1,4.524848);(186.2,0.088533);(187.1,8.445563);(188.3,0.180897);(189.1,100.0);(189.7,0.006962);(190.4,0.006081);(191.2,22.80453);(193.1,2.966082);(194.2,0.029628);(195.1,0.634294);(196.1,0.172201);(197.1,3.755293);(198.1,0.15741);(199.1,20.325912);(200.1,0.079275);(201.1,9.545794);(202.1,0.041971);(203.1,4.974931);(205.1,1.58996);(206.3,0.016311);(207.1,4.639102);(208.3,0.075323);(209.1,2.645393);(210.0,0.088867);(211.1,3.265656);(212.1,0.03054);(213.2,7.603618);(214.1,0.10153);(215.1,12.058525);(216.2,0.31666);(217.1,44.147279);(217.8,0.042199);(219.2,3.343973);(220.1,0.093656);(221.1,3.663111);(222.2,0.066658);(223.1,0.954876);(224.3,0.110605);(225.1,1.92173);(226.2,0.13967);(227.2,9.392747);(228.1,0.056154);(229.2,4.467585);(230.0,0.125579);(231.2,5.398518);(233.1,1.936582);(234.4,0.348963);(235.2,57.017574);(236.3,0.152987);(237.1,0.812895);(238.2,0.167732);(239.2,2.049392);(240.2,0.142255);(241.2,4.82047);(243.2,3.454107);(244.4,0.063618);(245.2,13.460443);(247.1,0.70156);(249.1,1.589367);(250.1,0.011006);(251.2,1.061301);(252.2,0.034644);(253.2,5.256917);(254.1,0.150448);(255.2,4.514572);(256.2,0.04188);(257.2,2.939966);(258.4,0.011614);(259.2,4.321013);(259.9,0.097471);(261.2,4.859766);(262.4,0.243739);(263.1,34.491123);(264.2,0.029065);(265.2,1.383023);(266.1,0.147226);(267.2,4.675221);(269.2,5.77793);(271.2,11.484398);(271.9,0.004469);(273.2,4.481737);(275.2,1.977702);(277.2,8.399274);(278.1,0.015247);(279.2,1.404032);(280.2,0.05661);(281.2,2.103098);(283.2,1.804163);(285.2,4.328416);(287.2,1.770036);(289.2,3.7751);(291.2,8.463576);(293.2,1.483489);(294.1,0.005989);(295.2,1.38772);(297.2,1.486727);(299.2,3.451371);(300.2,0.050165);(301.2,1.963656);(303.2,1.715311);(304.4,0.020643);(305.2,0.728451);(306.6,0.101211);(307.2,0.499594);(309.2,1.02877);(311.2,2.056628);(312.1,0.030859);(313.2,3.148863);(315.2,3.438617);(317.2,32.745728);(318.4,0.046942);(319.2,1.258828);(320.1,0.014);(321.3,0.442422);(322.4,0.024459);(323.3,0.831091);(324.4,0.050727);(325.2,1.183931);(326.3,0.011568);(327.2,2.406366);(327.9,0.042564);(329.2,3.383816);(330.0,0.044966);(331.2,2.181188);(332.2,0.049253);(333.3,1.107924);(334.4,0.0574);(335.2,0.391938);(337.2,0.838889);(339.2,0.972023);(340.4,0.013043);(341.2,1.257581);(343.2,1.418184);(345.2,1.023465);(347.1,0.853863);(349.3,0.472368);(350.2,0.150129);(351.2,1.031765);(352.2,0.053387);(353.3,0.296078);(355.2,0.542295);(357.2,1.394075);(358.1,0.038885);(359.2,1.061803);(360.2,0.08531);(361.2,0.248528);(363.3,0.351669);(365.1,1.60881);(366.3,0.112734);(367.2,0.394932);(368.3,0.087894);(369.2,0.565431);(370.2,0.005153);(371.2,0.392622);(372.1,0.048371);(373.2,0.251568);(374.3,0.111487);(375.2,0.125032);(376.1,0.049009);(377.2,0.077025);(378.4,0.101576);(379.2,1.844066);(381.2,0.215738);(383.2,0.648066);(385.2,0.052338);(387.2,0.212181);(388.4,0.101941);(389.2,17.441568);(390.3,0.721276);(391.1,2.022941);(392.1,0.650513);(393.1,0.506647);(395.4,0.456285);(397.1,0.597765);(399.3,0.142346);(405.2,0.196478);(406.2,0.420319);(407.2,37.818815);(408.0,0.055926);(408.9,1.368977);(409.9,0.621676);(411.2,0.424089);(413.2,0.183572);(415.2,0.027089);(417.2,0.483389);(419.4,0.013955);(420.1,0.022164);(421.0,0.011659);(423.2,0.395586);(424.3,0.432115);(425.2,48.31117);(425.9,0.028974);(427.0,0.010003);(428.3,0.045695);(433.0,0.052703);(434.3,0.052794);(435.2,11.552987);(437.1,0.161652);(438.1,0.065092);(439.2,0.176397);(443.1,0.008574);(444.1,0.061824);(447.5,0.010504);(449.1,0.026587);(449.7,0.036301);(450.9,0.127874);(451.6,0.014046);(452.4,0.403324);(453.1,20.054901);(453.8,0.010869);(455.1,0.040223);(463.4,0.022528);(469.4,0.022209);(470.1,0.005199);(471.1,0.851962);(488.0,0.088031);(488.7,0.043582);(494.8,0.007509);(496.6,0.164783);(510.0,0.011523);(515.0,0.15022);(515.9,0.234846);(516.9,0.050119);(517.9,0.020872)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.962496,2.933703);(134.980562,1.854043);(136.95207,0.647334);(138.957569,1.366223);(141.016429,1.673836);(142.017094,1.203442);(142.997246,1.419766);(144.982884,4.288656);(146.948295,6.070815);(148.978048,5.707662);(151.018796,0.812055);(153.033555,1.059198);(155.986739,1.203412);(156.954472,5.298852);(158.965204,6.850133);(161.021932,12.821223);(163.091678,4.662026);(164.916668,0.681711);(165.166668,0.731307);(168.750002,0.533168);(169.000002,0.562217);(171.009861,7.028147);(173.063582,14.844245);(175.108675,22.030652);(177.090237,8.97677);(178.991571,2.831122);(183.026512,0.974908);(185.097389,2.669795);(187.091959,5.71596);(189.062154,67.338903);(191.024501,17.27574);(192.994526,2.310988);(197.106913,1.507054);(199.071002,14.194857);(201.057315,5.951999);(203.012631,3.999856);(205.074732,1.667289);(207.142582,6.050557);(209.177373,1.659239);(211.040847,1.376911);(213.059263,7.455055);(215.080608,8.315492);(217.115009,49.930389);(219.137843,3.861893);(221.096266,3.286375);(223.000003,0.656713);(225.052126,1.55605);(227.12915,8.525958);(229.203032,3.569945);(231.162555,4.999346);(232.91667,1.605532);(233.16667,1.434645);(235.073426,60.248937);(237.008232,0.926358);(239.198954,1.3132);(241.211058,4.156855);(243.136829,2.59784);(245.080285,13.249866);(247.100252,1.542266);(249.10124,2.455286);(251.247242,0.941923);(253.147606,3.470212);(255.152419,5.233782);(257.054295,1.758623);(259.124966,5.814321);(261.164687,6.022657);(263.141071,35.228775);(265.083338,1.119399);(265.153491,1.119399);(267.149386,4.071727);(269.166797,5.487577);(271.170742,10.368053);(273.216621,5.469558);(275.182475,2.412576);(277.154379,10.446971);(279.142377,1.192404);(281.182415,1.968041);(283.145991,2.182268);(285.24814,5.100722);(287.207483,2.407165);(289.108396,4.500814);(291.144489,11.260373);(293.229785,1.323601);(295.279312,1.24138);(297.206608,1.164618);(299.145224,4.21729);(299.833339,0.668847);(299.833339,0.668847);(301.083339,3.697255);(301.953093,100.0);(303.041482,6.535191);(309.250006,0.613594);(311.144533,2.302363);(313.176387,5.420554);(315.248007,6.377917);(317.27096,46.758514);(319.30075,2.079771);(321.190362,0.541448);(323.180431,0.636756);(325.256075,1.300753);(327.30698,3.337435);(329.232885,3.361266);(331.255477,2.773236);(333.234787,2.293969);(337.327077,1.182491);(339.271606,1.115273);(341.201016,1.290142);(343.078752,1.681705);(345.188915,2.145307);(347.278156,1.042775);(349.500007,0.557206);(351.260701,1.179592);(355.244467,0.592796);(357.212337,3.263667);(359.312126,1.920358);(365.225815,1.672637);(367.256806,0.693157);(369.302164,1.086189);(379.281817,2.676833);(381.333341,0.610184);(383.289794,0.829798);(389.308304,28.667779);(393.000008,0.731514);(393.386747,1.408937);(393.987369,0.543013);(395.330188,0.754248);(397.333342,1.245734);(407.348888,50.402685);(408.500009,0.642811);(409.250009,0.634008);(411.333342,0.64113);(417.350364,0.878114);(425.399055,94.258894);(426.250009,0.700954);(432.411941,0.718385);(435.360741,25.126362);(453.312556,41.411467);(454.396112,0.580538)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.982626,3.930399);(134.958356,1.914699);(136.978134,0.830322);(139.004212,1.625916);(140.959536,1.605516);(141.968598,1.393166);(142.986277,2.266017);(144.985426,4.970055);(146.997118,9.453259);(149.004058,6.236024);(151.042812,0.973119);(153.042196,1.069024);(155.985934,1.176662);(156.984377,6.109483);(158.034179,0.587613);(159.017161,8.116106);(161.043715,16.579491);(163.057569,4.390569);(165.033122,1.157248);(169.027555,0.927707);(171.041812,6.932817);(173.055898,16.178922);(175.082018,28.834551);(177.077718,12.201227);(179.043845,4.525573);(183.054847,0.612903);(185.048743,2.595634);(187.071958,6.939946);(189.094199,88.722925);(191.097172,21.884831);(193.072656,2.439216);(197.065944,1.880016);(199.065625,17.403928);(201.077588,9.222851);(203.096421,5.257262);(205.079132,2.209378);(207.109096,6.577757);(209.089821,1.766512);(211.093745,1.88499);(213.084787,7.93439);(215.113825,10.747061);(217.096365,54.571393);(219.118416,3.892595);(221.060844,4.782609);(225.108138,1.512252);(227.13547,9.230955);(229.145259,4.926549);(231.12354,5.238935);(233.112642,2.253763);(235.10731,72.446276);(237.046742,0.892958);(239.136287,1.798598);(241.169959,5.295839);(243.125671,3.778293);(245.135743,18.3946);(247.13584,1.395778);(249.132345,2.412012);(251.157838,0.609018);(253.154415,5.431496);(255.156626,6.412611);(257.143498,3.290191);(259.154255,6.741767);(261.129228,5.493717);(263.107108,42.323097);(265.167079,1.542582);(267.165297,4.470935);(269.190761,6.130504);(271.188306,11.963518);(273.175719,5.874508);(275.168948,3.081061);(277.148323,12.765767);(279.17718,0.962294);(281.212328,1.992179);(283.193501,2.614072);(285.190963,5.809455);(287.175867,3.011924);(289.175294,5.631982);(291.186658,13.646916);(293.24013,1.606492);(295.224408,1.390262);(297.178965,1.762162);(299.194071,5.73197);(301.182398,3.436388);(303.203527,3.8548);(305.219152,0.928037);(309.210288,0.724876);(311.217593,3.838693);(313.22791,5.579574);(315.228298,6.361773);(317.21059,54.074563);(319.224007,2.05558);(321.31553,0.535312);(323.166673,0.786273);(325.242357,1.394292);(327.226834,3.481937);(329.215504,4.252582);(331.242656,3.755727);(333.257255,1.479786);(337.27373,0.997975);(339.266045,1.626177);(341.220228,1.601609);(343.265399,2.221227);(345.23757,2.018386);(347.271537,0.894315);(351.245096,1.612687);(355.314337,0.804275);(357.231563,2.243855);(359.293961,2.073626);(365.255067,1.663359);(367.295732,0.59873);(369.271135,1.359822);(371.288327,0.5571);(373.2545,0.517531);(379.32097,3.094202);(381.276255,0.60565);(383.269591,0.731517);(389.355809,31.776456);(393.301119,1.443223);(395.313247,0.985641);(397.297282,1.365604);(407.323339,65.078042);(409.302178,0.765175);(411.297241,0.967957);(417.281556,0.970237);(425.371985,100.0);(432.202238,0.802021);(435.353002,27.54773);(453.363523,52.934175)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.990653,4.452198);(135.005106,1.57513);(137.01692,0.759025);(138.990204,1.269981);(140.964359,1.522872);(141.994505,1.511382);(142.998943,1.715041);(145.007579,5.509967);(147.018304,10.31392);(149.005213,5.352819);(151.025168,1.037864);(153.019953,1.029374);(155.019869,0.510765);(156.008003,1.174187);(157.018051,6.465325);(158.037825,0.581178);(159.003052,7.832328);(161.030013,15.027683);(163.048994,4.77562);(165.029276,0.89049);(167.005702,0.536543);(169.074698,0.991865);(171.039085,6.728431);(173.04378,15.352523);(175.069152,28.095217);(177.068311,13.288732);(179.055989,3.865668);(183.021047,0.762591);(185.057543,2.452507);(187.072507,6.5243);(189.087275,86.745342);(191.096267,20.763063);(193.06742,2.298798);(197.068735,1.68279);(199.075131,18.34869);(201.108987,9.015753);(203.081109,4.597239);(205.07423,1.836063);(207.091558,6.12323);(209.04838,1.541544);(211.087341,1.897633);(213.107575,7.660921);(215.108116,10.223637);(217.082079,51.519979);(219.129115,3.569067);(221.073004,4.675468);(223.083337,0.529892);(225.120196,1.53091);(227.142817,9.144336);(229.119734,4.080416);(231.120864,5.412324);(233.104295,2.021064);(235.102978,71.659883);(237.076825,0.680435);(239.132999,1.387527);(241.153079,4.817632);(243.113788,3.313192);(245.114057,17.489179);(247.128714,1.130549);(249.130361,2.251172);(251.13761,0.731887);(253.175213,5.343576);(255.18438,5.512421);(257.134622,2.787338);(259.144842,6.073206);(261.12043,6.390581);(263.132811,46.70822);(265.162887,1.702517);(267.186208,5.007023);(269.174625,6.109141);(271.163876,11.345886);(273.180531,6.986515);(275.178105,2.773324);(277.158668,12.188536);(279.158367,1.155217);(281.171429,1.862291);(283.176842,2.591255);(285.219819,5.974532);(287.19047,2.900137);(289.162983,5.616582);(291.171029,12.468588);(293.196165,1.518199);(295.274861,1.179359);(297.180619,1.71179);(299.193149,5.623251);(301.179777,3.422773);(303.190738,3.738444);(305.218372,0.90303);(307.230285,0.52867);(309.260313,0.690171);(311.200967,3.247967);(313.205415,5.804741);(315.217842,6.64216);(317.224185,58.161319);(319.233758,1.624525);(323.33334,0.597639);(325.249371,1.489898);(327.253062,3.54702);(329.226987,3.94617);(331.22336,3.562846);(333.285751,1.198364);(337.247317,1.166863);(339.246988,1.404134);(341.243395,1.769311);(343.243886,2.505033);(345.214141,1.670358);(347.269126,1.195472);(351.252221,1.328017);(355.295449,0.923536);(357.248692,2.592722);(359.277496,2.095607);(365.302996,2.35485);(367.263572,0.643092);(369.251637,1.191786);(371.262594,0.643476);(379.313571,2.856424);(381.295098,0.622869);(383.291544,0.857484);(389.339322,29.606922);(393.314589,1.240596);(395.26663,0.710464);(397.311841,1.624921);(407.335947,62.112133);(409.287091,0.578174);(411.278175,0.855114);(417.345747,1.390777);(425.380623,100.0);(432.155021,0.602595);(435.35592,27.253851);(453.349667,49.31849)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(133.253614,4.419514);(135.254683,4.553765);(137.259199,0.874513);(139.232749,1.507577);(141.238877,1.775682);(142.226384,1.491949);(143.232406,2.309629);(145.272374,5.469438);(147.244658,10.449049);(149.271541,5.771389);(151.275011,0.99816);(153.242622,0.939624);(155.249057,0.773418);(156.27859,1.416545);(157.254302,7.089862);(158.261872,0.800573);(159.279997,8.763877);(161.287251,16.051713);(163.295472,4.455392);(165.279921,1.089281);(169.264398,0.939611);(171.300249,7.218221);(173.287611,15.732219);(175.319362,29.624187);(177.300061,12.630316);(179.291936,3.758282);(183.277026,0.819822);(185.293229,2.664142);(187.315862,7.478542);(189.314255,94.27337);(190.370968,1.307759);(191.315863,22.308268);(193.279734,2.497643);(197.288665,2.280316);(199.297555,19.765755);(201.311887,10.369059);(203.30489,4.913167);(205.308836,1.910198);(207.289895,6.249646);(209.302939,1.969254);(211.292868,2.029277);(213.328866,8.386277);(215.323223,11.589152);(217.295818,54.167791);(218.336413,0.755069);(219.29694,4.133136);(221.269658,4.698992);(223.313871,0.626672);(225.311269,1.72653);(227.315222,9.80761);(229.335878,4.528871);(231.307238,5.57925);(233.304831,2.23476);(235.29206,76.647391);(236.305781,1.001587);(237.264714,0.812239);(239.32448,1.618192);(241.321782,5.689158);(243.325025,3.909946);(245.291162,20.132562);(247.302912,1.395288);(249.298155,2.126312);(251.31394,0.681248);(253.327661,5.840679);(255.330129,6.725445);(257.316759,3.375263);(259.322483,6.321382);(261.288573,6.506684);(263.280899,40.047298);(264.30119,0.558031);(265.306907,1.616024);(267.340143,5.127055);(269.34964,6.73818);(271.318331,12.680335);(273.322421,6.570203);(275.282928,2.986825);(277.314368,12.660065);(279.329734,1.260476);(281.34833,2.230183);(283.33557,2.699968);(285.338163,6.155761);(287.333685,3.001795);(289.324634,5.847699);(291.31565,12.731326);(293.365689,1.522071);(295.350673,1.531905);(297.345599,1.854331);(299.321225,6.048677);(301.344148,3.574037);(303.340194,3.793784);(305.326733,0.767918);(307.363077,0.526122);(309.334399,0.774295);(311.356991,3.535759);(313.342438,5.919141);(315.353444,6.365133);(317.327962,56.281353);(318.341537,1.138249);(319.339029,1.661482);(321.346441,0.563869);(323.346516,0.676);(325.343499,1.668059);(327.366898,3.472365);(329.332595,4.377442);(331.335112,3.805939);(333.372142,1.691498);(337.381894,1.326754);(339.352616,1.680587);(341.368558,1.738372);(343.337831,2.201108);(345.361477,1.922621);(347.393709,1.066495);(349.423654,0.532925);(351.384997,1.717413);(353.340502,0.570291);(355.369999,0.797704);(357.363199,2.489964);(359.376094,1.765636);(365.389792,2.086025);(367.391683,0.654148);(369.360855,1.253533);(371.360183,0.549385);(379.413309,2.925125);(381.415417,0.516394);(383.381183,0.943044);(389.42996,29.847532);(390.455926,0.886564);(393.387715,1.321155);(395.426629,0.856551);(397.401177,1.402539);(407.412211,66.290066);(408.425836,1.808917);(409.437711,0.667347);(411.393765,0.74767);(417.40941,1.072852);(425.429631,100.0);(426.420785,2.724798);(435.407299,29.137812);(436.414969,0.933995);(453.403738,46.902884);(454.406816,1.7011)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(133.13425,4.203665);(135.155771,4.921037);(137.150055,0.950846);(139.123085,1.480455);(141.133329,1.700945);(142.132172,1.537878);(143.124726,2.184485);(145.161894,5.662299);(147.148595,10.768891);(149.171642,6.137494);(151.179664,1.041718);(153.147399,1.004045);(155.143873,0.683759);(156.148796,1.331511);(157.153638,7.164129);(158.164763,0.666113);(159.168321,9.121464);(161.186201,16.407581);(163.184547,4.508082);(165.193279,1.066986);(169.172636,0.856565);(171.194165,7.398297);(173.188408,16.248975);(175.219105,29.944888);(177.204597,13.057342);(179.192129,4.000832);(183.189922,0.903827);(185.198799,2.787909);(187.211378,7.393193);(189.221636,91.533211);(191.233647,23.046693);(193.185414,2.573324);(197.202715,2.093625);(199.223953,20.124166);(201.225766,10.241832);(203.222126,5.035248);(205.217455,1.932081);(207.213935,6.640803);(209.208321,2.053841);(211.20994,2.024247);(213.241089,8.03012);(215.240841,11.898362);(217.220494,54.13695);(219.230742,4.548942);(221.204205,4.722608);(223.221597,0.618577);(225.248218,1.716151);(227.238141,9.725867);(229.261811,4.538472);(231.231605,5.60428);(233.240302,2.265422);(235.225313,76.764088);(237.197174,0.757416);(239.259866,1.587326);(241.262381,5.531341);(243.259555,3.636963);(245.233912,20.858308);(247.234143,1.390164);(249.236417,2.346262);(251.25809,0.692336);(253.269807,5.555442);(255.272242,6.288315);(257.24841,3.471997);(259.260338,6.474976);(261.225495,6.315925);(263.221973,42.845629);(265.26078,1.645067);(267.290236,5.01616);(269.299562,6.214446);(271.264908,12.178926);(273.262568,6.426745);(275.240266,3.036024);(277.254441,12.713307);(279.291517,1.168958);(281.297166,2.116483);(283.296519,2.635018);(285.282186,5.950753);(287.282435,2.862498);(289.273642,5.781866);(291.264992,12.690229);(293.311156,1.513379);(295.305291,1.37797);(297.299005,1.828303);(299.269742,5.793017);(301.30142,3.732931);(303.292404,3.587109);(305.302996,0.775611);(309.311703,0.761775);(311.309528,3.612874);(313.31324,6.095234);(315.299791,6.339912);(317.297391,53.888553);(319.309149,1.65104);(323.302218,0.719632);(325.306487,1.581175);(327.325521,3.312448);(329.292158,4.282375);(331.300536,3.880116);(333.339457,1.538717);(337.346635,1.217738);(339.297693,1.613685);(341.336275,1.766314);(343.300341,2.204972);(345.32198,1.92431);(347.349506,1.109319);(349.386027,0.501095);(351.343001,1.729475);(353.317932,0.553373);(355.341903,0.85633);(357.325492,2.535219);(359.342915,1.881189);(365.343243,2.049694);(367.347614,0.648678);(369.32638,1.188515);(371.323098,0.543744);(379.376239,2.920458);(381.365432,0.564477);(383.344621,0.889359);(389.401197,30.272787);(393.361524,1.372417);(395.389149,0.87162);(397.360622,1.409744);(407.389656,66.142086);(409.396975,0.700847);(411.36412,0.810953);(417.371122,1.127908);(425.415316,100.0);(435.4048,29.381515);(453.408285,50.515365)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.972515,3.115143);(134.916667,0.659113);(134.960232,0.659113);(137.016117,1.006095);(138.994299,1.442163);(140.893482,1.303643);(141.910841,1.278874);(142.948251,2.389789);(144.992521,5.25761);(147.010755,9.356652);(148.994817,4.89073);(150.957841,1.016004);(152.991699,0.72571);(155.959177,0.919683);(156.970286,6.216779);(157.975081,0.809253);(159.008277,9.118266);(161.054902,16.574105);(163.0124,4.161609);(164.990918,0.897872);(167.005077,0.555365);(169.055952,0.688923);(171.020095,6.554343);(173.008957,16.659525);(175.076852,28.797558);(177.082592,12.201434);(178.995411,3.90532);(180.924781,0.5375);(183.12616,0.807565);(185.051865,2.943252);(187.007958,7.419644);(189.074628,100.0);(191.133006,23.035718);(193.020224,2.175352);(197.095857,2.45824);(199.092234,17.030445);(201.049604,9.078178);(203.039617,4.415521);(205.099939,1.774318);(207.054279,4.593364);(208.99048,1.905499);(211.05523,1.992979);(213.139728,8.937127);(215.08517,9.250169);(217.026566,49.858244);(219.082796,4.191067);(221.094352,4.573154);(222.978722,0.662375);(225.089298,1.542426);(227.132206,9.162057);(229.106318,3.638522);(231.039718,5.070866);(233.089857,2.298882);(235.121858,73.716137);(237.000004,0.668727);(239.082886,1.174282);(241.142101,5.993622);(243.127318,3.612442);(245.072212,16.770063);(246.833337,0.785554);(247.083337,0.910463);(249.068121,2.179696);(251.064822,0.649147);(253.07479,5.038265);(255.133295,6.198054);(257.197972,3.37365);(259.120049,5.091153);(261.037553,6.363102);(263.086557,46.651749);(265.174369,1.099694);(267.12407,3.74601);(269.127846,6.26914);(271.150354,11.116022);(273.166217,5.723159);(275.105401,2.848534);(277.117082,13.265147);(279.196079,0.98522);(281.135859,1.623584);(283.102091,2.400593);(285.159097,5.876919);(287.191056,3.012022);(289.103419,5.303247);(291.124869,14.318282);(293.190989,1.788632);(295.000005,0.738676);(295.250005,1.174085);(297.133784,1.478388);(299.159728,5.460629);(301.203121,3.277198);(303.174576,3.254526);(305.100875,0.782953);(307.14625,0.54045);(309.26634,0.804893);(311.150306,2.883826);(313.15997,5.228985);(315.202381,7.091482);(317.213924,53.840323);(319.120418,2.006324);(321.220397,0.516418);(323.277423,0.871774);(325.20577,1.412561);(327.141297,2.715191);(329.174041,4.720473);(331.240794,3.565316);(333.184148,1.509685);(337.000007,0.645206);(337.250007,1.263284);(339.2243,1.305897);(341.196638,1.428368);(343.166362,2.025433);(345.227618,2.220632);(347.239847,0.97841);(349.285714,0.623231);(351.180384,1.675738);(353.244307,0.609053);(355.25316,0.759358);(357.172161,2.96562);(359.217263,1.906034);(365.149787,1.584089);(367.250008,0.751338);(369.267839,1.080347);(371.166674,0.540353);(373.166674,0.621533);(379.223949,2.588259);(383.083341,0.637746);(383.333341,0.958113);(389.298243,32.813955);(393.269788,1.050831);(395.265445,1.236171);(397.307933,1.609775);(407.286904,60.806984);(409.279569,0.579789);(411.083342,0.584396);(411.333342,0.646217);(417.234841,1.36969);(425.297087,90.064119);(435.32751,27.233848);(453.249571,47.584555)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(174.833335,0.822601);(175.750002,0.53409);(176.083335,0.709255);(182.955842,0.682151);(197.083335,0.55643);(205.083336,0.635632);(207.057448,1.072856);(208.976901,1.112671);(210.005589,0.702671);(210.966379,1.606414);(213.058206,0.763658);(214.944323,0.643513);(218.942436,0.834829);(220.004925,0.537482);(227.000003,0.743416);(229.083336,0.633946);(231.024763,1.5856);(232.023648,0.566842);(232.91667,1.19579);(237.149341,0.765643);(239.009991,1.286853);(240.049474,0.846685);(241.003494,1.635419);(242.988313,0.754298);(245.083337,0.663097);(246.990155,2.046046);(248.029784,1.687717);(248.993071,0.964437);(254.000004,0.570368);(255.044929,2.108979);(256.083337,0.91488);(257.000192,2.684209);(258.01913,1.76625);(259.079677,2.517433);(260.087278,1.978165);(261.059387,1.878342);(262.083093,1.303491);(262.916671,0.635268);(263.001037,0.635268);(264.833338,0.587986);(265.083338,0.644732);(266.083338,0.575277);(267.050403,1.281505);(268.916671,0.566162);(269.911461,0.532529);(271.12989,0.768425);(273.103356,1.488387);(273.750004,0.652038);(274.13545,1.339052);(274.916671,2.234683);(275.166671,2.657069);(276.121679,1.58675);(277.034262,0.878803);(279.083338,0.598241);(281.08346,0.709943);(283.08745,2.395732);(284.068688,2.838174);(285.061774,4.165043);(286.1904,0.608859);(286.833338,0.530697);(287.083338,0.900492);(288.166672,0.662964);(290.166672,0.695652);(291.083338,0.573495);(293.250005,0.776133);(295.083338,0.643639);(297.243327,0.972731);(298.088582,0.553783);(299.028428,0.550399);(301.101263,2.892175);(302.042074,2.58989);(303.061091,2.489767);(304.09274,1.417141);(307.135721,0.741184);(309.250005,0.567069);(311.080759,0.611852);(312.916672,0.635477);(313.250006,0.533345);(314.086761,0.88973);(315.08925,1.086435);(316.166672,0.838962);(316.750006,0.898515);(317.083339,1.848993);(317.333339,1.094831);(318.133206,2.233115);(319.000006,0.629718);(319.129159,0.919278);(321.107499,0.76494);(323.097965,1.279235);(323.916673,0.712835);(324.250006,0.524991);(325.169959,1.500385);(326.176867,0.750361);(327.185174,2.22074);(328.176501,0.703604);(329.168544,0.593446);(335.166673,0.634132);(335.916673,0.53778);(337.000006,0.746623);(337.250006,0.720273);(338.076905,0.842227);(339.116747,2.643993);(340.10232,1.382437);(341.146752,3.021484);(342.223522,1.0603);(343.250007,0.913342);(344.000007,0.616901);(344.250007,0.61484);(349.215333,1.998262);(351.117317,1.312205);(351.916673,0.861642);(352.166673,1.208646);(353.15654,6.167161);(354.134902,1.714039);(355.170005,2.761281);(356.250007,1.040809);(357.218131,3.543952);(358.154123,6.798253);(359.203205,3.129669);(361.33334,0.621128);(364.138042,0.834122);(364.916674,0.603646);(365.166674,0.52664);(367.132191,0.986832);(367.416674,0.516132);(368.106381,0.674499);(368.916674,1.124255);(369.166674,1.414708);(370.083341,2.253973);(370.333341,1.322999);(370.916674,1.736438);(371.250007,2.657944);(372.241874,2.287953);(373.125038,1.094936);(374.12924,0.73188);(374.666674,0.502383);(375.250007,0.772874);(375.750007,0.859394);(376.250007,0.665829);(377.333341,0.583829);(379.000008,0.5057);(379.250008,0.968917);(380.229365,1.126197);(381.187883,1.048978);(381.916674,0.856672);(382.250008,0.542331);(383.20231,1.305878);(384.17878,0.623928);(388.833341,0.547467);(389.083341,0.705535);(389.250008,0.811522);(391.166675,0.754583);(391.295167,0.754583);(392.166675,0.828201);(392.416675,0.718717);(393.083341,0.644058);(393.333341,0.582791);(394.172656,1.515154);(395.196754,3.162144);(396.083341,0.575891);(396.333341,0.924413);(397.000008,0.979089);(397.333341,0.749278);(400.250008,0.550633);(404.089788,0.563663);(405.274846,0.860864);(406.218541,1.563055);(407.281493,3.642485);(408.245361,3.726862);(409.224295,9.877662);(410.166047,1.828809);(411.172326,1.020036);(411.833342,0.593936);(412.166675,0.828447);(413.20954,1.048357);(414.250009,0.693949);(415.236916,0.978316);(417.042146,0.771608);(417.416675,0.677107);(418.416675,0.611385);(419.042906,1.382339);(419.416675,0.929771);(420.137922,0.759207);(421.162163,1.560188);(422.083342,1.282822);(422.333342,1.997225);(423.249186,6.431613);(424.140952,1.331415);(425.009129,0.551544);(427.090188,0.575025);(428.314958,1.012835);(429.224034,1.721694);(430.24107,1.94587);(431.309609,2.311191);(432.000009,1.022737);(432.250009,0.978699);(433.083343,1.498039);(433.333343,1.801603);(433.916676,0.715492);(434.250009,1.206342);(435.083343,1.091252);(435.333343,1.67315);(436.195721,1.568001);(436.583343,0.626448);(437.297265,9.391073);(438.416676,0.660255);(439.083343,0.668197);(444.25001,0.628643);(444.324391,0.628643);(445.083343,0.866255);(445.333343,0.969044);(446.29795,3.001971);(447.266493,3.905723);(448.275429,3.931648);(448.75001,0.743849);(449.255254,5.049522);(449.916676,1.489587);(450.281422,3.967684);(451.253285,4.22083);(451.75001,0.687949);(454.074445,0.531425);(455.333343,0.566695);(456.34122,1.216488);(457.253354,4.634356);(458.275827,0.720345);(459.313651,0.628232);(461.266769,2.12326);(462.416677,1.166802);(462.666677,1.184148);(463.218909,4.238754);(464.00001,0.516759);(464.25001,1.124463);(465.083343,0.561412);(465.416677,0.624466);(471.245754,0.707733);(471.916677,0.762099);(472.333344,0.908335);(472.833344,0.597695);(473.337755,1.666179);(474.290139,18.398112);(475.295582,100.0);(476.26615,8.331264);(477.234032,3.222037);(477.25001,3.222037);(477.833344,0.676796);(478.329403,1.532401);(483.416677,0.703843);(484.083344,0.500236);(484.333344,0.743165);(484.333344,0.743165);(490.30982,2.828406);(491.243388,1.585233);(491.750011,0.920375);(492.083344,1.681362);(492.416678,1.890425);(492.750011,1.788918);(493.166678,3.280541)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.994153,4.169539);(135.037838,1.436267);(136.982851,0.823533);(138.995972,1.676345);(140.93705,1.490366);(141.968358,1.325624);(143.011414,2.172072);(145.007765,5.253704);(146.992651,9.631073);(148.982863,6.093609);(151.00158,1.149949);(153.000927,0.960717);(155.998128,1.338183);(157.001332,6.551765);(157.98866,0.730218);(158.988405,7.88277);(161.017117,16.036804);(163.053836,4.127574);(164.984009,0.886823);(168.997986,0.654995);(171.037611,6.582845);(173.050004,17.386945);(175.070638,29.844512);(177.055143,12.949447);(179.02446,3.705232);(183.029738,0.67396);(185.03406,2.886651);(187.045509,7.345809);(189.076305,96.171018);(191.103553,22.707019);(193.062617,2.519003);(197.051184,1.976329);(199.043736,19.304816);(201.105503,10.122274);(203.118658,4.746068);(205.067809,2.054492);(207.05333,6.483925);(209.078145,2.139255);(211.119823,2.12255);(213.105446,8.201267);(215.082836,9.645256);(217.066772,52.775284);(219.097015,4.479536);(221.099435,4.591015);(223.093676,0.522137);(225.088174,1.737449);(227.124569,9.457305);(229.131886,4.311264);(231.130198,5.522469);(233.098762,2.062351);(235.106327,72.480502);(237.086419,0.778813);(239.108397,1.336763);(241.168162,4.902791);(243.160118,3.010895);(245.11364,16.182548);(247.126062,1.137252);(249.093111,2.066725);(251.178142,0.936152);(253.169047,5.556516);(255.176073,6.206962);(257.138785,3.019003);(259.173894,5.87764);(261.124363,6.139251);(263.104807,43.585474);(265.138001,1.588617);(267.173335,4.3547);(269.181529,5.787726);(271.165163,11.235697);(273.16713,5.65986);(275.151547,3.276129);(277.155902,13.597277);(279.190853,0.998804);(281.218199,1.621565);(283.161062,2.535004);(285.132411,5.856215);(287.165166,2.99035);(289.186507,5.389175);(291.188356,15.000141);(293.242729,1.427219);(295.219284,1.314975);(297.225723,2.064731);(299.217276,5.894806);(301.196541,3.312594);(303.18976,3.465786);(305.083339,0.778358);(305.333339,0.593434);(307.213469,0.532693);(309.277878,0.719405);(311.23728,3.588137);(313.224117,4.784044);(315.207636,6.820826);(317.201619,53.981379);(319.231327,1.914028);(323.250006,0.687294);(325.24432,1.540801);(327.239555,3.918077);(329.226209,4.8517);(330.83334,0.91467);(331.230832,3.480761);(333.26442,1.223655);(337.239829,1.444686);(339.298859,1.557377);(341.214701,1.988316);(343.204251,2.324629);(345.211469,1.974796);(347.283989,0.992487);(351.251177,1.668457);(355.295353,0.536413);(357.273168,2.632354);(359.266315,1.977699);(361.340258,0.636259);(365.253972,1.985137);(367.306358,0.870542);(369.349446,1.517367);(371.315217,0.567302);(373.250008,0.625222);(379.329837,2.802968);(381.19834,0.781756);(383.327221,1.064366);(389.348281,30.284734);(393.306005,1.538309);(395.270008,1.090531);(397.361384,1.314536);(407.343934,69.661345);(409.343797,0.526088);(411.340857,0.933452);(417.250009,1.154133);(417.320321,1.293753);(425.346932,100.0);(435.358956,28.734758);(453.354385,51.17006);(456.374768,0.504133)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.997975,3.588213);(134.969216,1.274109);(136.958632,0.875105);(138.962991,1.406418);(140.981679,1.253913);(142.003143,1.392039);(142.983595,1.801071);(144.979548,5.157469);(146.992078,9.915269);(148.996043,5.93232);(151.011957,0.949942);(153.001031,0.992673);(155.018978,0.559878);(155.987673,1.247029);(156.997399,5.845878);(157.980123,0.529368);(159.015096,7.273976);(161.028761,15.66977);(163.063841,4.789827);(165.01676,0.971785);(169.041892,0.782742);(171.029945,6.89207);(173.053755,15.425165);(175.053293,24.729925);(177.043649,12.643346);(179.02384,3.879006);(183.049938,0.869778);(185.071515,2.692695);(187.05908,7.767813);(189.079816,90.588608);(191.087688,21.859895);(193.077339,2.320422);(197.078024,1.728508);(199.064757,19.6503);(201.118207,9.474131);(203.122908,5.072456);(205.065956,1.639228);(207.058928,6.302929);(209.061966,2.006732);(211.106612,1.84956);(213.091884,7.0581);(215.098665,9.987718);(217.062996,50.59302);(219.099847,4.376674);(221.096955,5.221421);(223.16667,0.50132);(225.091568,1.620621);(227.098527,8.941166);(229.131471,4.153986);(231.12777,5.268496);(233.103694,2.19204);(235.094284,69.249893);(237.077064,0.967783);(239.10671,1.287865);(241.167216,4.617942);(243.115639,3.538526);(245.099573,15.839435);(247.119753,1.504456);(249.150834,2.486785);(251.225795,0.908013);(253.155002,5.063769);(255.158933,5.875491);(257.141633,3.03844);(259.16532,6.152349);(261.137488,6.160305);(263.085863,40.777078);(265.128293,1.29401);(267.168773,5.424387);(269.190231,6.803082);(271.159916,11.139511);(273.168438,6.174577);(275.116067,3.623352);(277.155362,14.06577);(279.1773,1.420315);(281.223572,2.197058);(283.178015,2.452332);(285.157491,5.790337);(287.177397,3.153769);(289.194909,5.426708);(291.188092,13.115573);(293.173047,1.420093);(295.177805,1.186541);(297.153001,1.837546);(299.210046,5.335399);(301.19547,3.61724);(303.200052,3.424093);(305.179681,0.620785);(309.300496,0.704282);(311.207136,2.975176);(313.221338,5.448679);(315.185389,6.275914);(317.197574,55.051605);(319.217971,1.94174);(321.275743,0.573753);(325.206541,1.390091);(327.234911,3.571679);(329.23474,4.989976);(331.262665,3.56029);(333.222425,1.43929);(337.242395,1.198386);(339.166673,1.047107);(339.256424,1.261973);(341.255502,1.691946);(343.212188,2.089902);(345.193937,2.342232);(347.166674,0.963008);(347.264528,0.963008);(349.279784,0.627516);(351.272494,1.85151);(353.166674,0.528232);(353.416674,0.540569);(355.246835,0.791755);(357.233512,2.456589);(359.220892,1.651946);(365.243362,2.219002);(367.230811,0.776105);(369.287378,1.396831);(371.250008,0.813347);(373.25924,0.572477);(379.31925,2.734255);(381.262273,0.638642);(383.210923,0.73521);(389.351461,31.482123);(393.275715,1.569437);(395.317056,0.926733);(397.309821,1.392642);(407.338042,68.962066);(409.328117,0.67649);(417.322216,1.173957);(425.344428,100.0);(435.325107,28.865708);(453.337542,50.83061)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(170.958511,0.209888);(173.839534,0.19486);(174.942341,0.208342);(197.000002,0.283327);(198.88205,0.228986);(199.166669,0.252898);(206.054836,0.309092);(207.000002,0.244447);(211.039894,0.630368);(212.995268,0.345605);(216.930928,0.225568);(222.978681,0.194298);(227.075898,0.285339);(231.090529,0.277025);(233.16667,0.242082);(237.037363,0.319306);(239.013173,0.360301);(241.088251,0.394965);(243.118698,0.343631);(245.001051,0.292024);(247.126461,0.453297);(247.833337,0.22312);(248.16667,0.328586);(249.083337,0.205041);(253.18568,0.200098);(255.098169,0.29068);(256.095371,0.288838);(257.093333,0.676643);(257.916671,0.194607);(258.250004,0.30117);(259.047895,0.440732);(260.166671,0.269817);(261.166671,0.342705);(263.060646,0.257064);(264.916671,0.294189);(265.250004,0.287124);(265.833338,0.197195);(266.083338,0.44099);(267.068627,0.840487);(267.960072,0.238756);(268.270817,0.225004);(268.916671,0.225808);(269.166671,0.340857);(269.916671,0.302462);(270.250004,0.59434);(272.14636,0.446524);(273.082283,0.466736);(274.048644,0.305389);(275.035044,0.524908);(276.126421,0.246792);(277.250005,0.240258);(278.963133,0.202668);(281.11026,0.309969);(283.135203,0.506671);(284.122385,0.646218);(285.074651,1.33523);(286.166671,0.259494);(287.000005,0.342881);(287.250005,0.296926);(288.11003,0.210649);(291.333338,0.216363);(293.166672,0.273164);(295.174397,0.340701);(296.833338,0.231676);(298.333338,0.250483);(299.083339,0.280902);(300.083339,0.219738);(301.100062,0.677257);(302.118971,0.945688);(303.095006,0.722917);(305.091238,0.224925);(307.182151,0.329991);(309.000005,0.304816);(309.333339,0.297624);(311.181253,0.329443);(313.078,0.301748);(315.112113,0.386485);(317.206426,0.577636);(318.083339,0.333945);(318.333339,0.278079);(319.109375,0.405922);(321.000006,0.22671);(321.250006,0.220593);(323.083339,0.288245);(325.131833,0.843936);(327.228383,1.604427);(329.250006,0.198453);(335.230422,0.279785);(337.15999,0.341735);(338.000006,0.226734);(338.33334,0.303277);(339.138376,0.506008);(340.250006,0.245796);(341.169957,1.477767);(342.115094,0.250855);(342.916673,0.288189);(343.166673,0.268985);(346.250007,0.207576);(347.166673,0.201456);(349.182268,2.153876);(351.051791,0.330003);(351.416673,0.209596);(353.16542,3.098583);(354.08334,0.306627);(354.33334,0.311064);(355.237597,1.712589);(356.169246,0.350695);(357.149893,0.805087);(358.208916,1.062406);(359.11615,0.852171);(360.15654,0.220698);(362.217331,0.19447);(363.148905,0.320999);(365.08334,0.296034);(365.33334,0.198005);(366.916674,0.248372);(367.330196,0.475659);(369.160729,0.500321);(369.416674,0.248486);(370.000007,0.295406);(370.333341,0.373709);(370.916674,0.566658);(371.250007,1.128367);(372.166866,0.259089);(372.583341,0.203535);(373.122489,0.935594);(374.250007,0.225361);(375.22601,0.365854);(376.747857,0.202677);(377.241174,0.479257);(378.166674,0.252578);(379.166674,0.437274);(379.416674,0.301862);(381.000008,0.364074);(381.250008,0.573355);(382.338112,0.241302);(383.253359,0.498286);(386.916674,0.221044);(387.083341,0.272335);(387.333341,0.272826);(389.323531,0.302943);(391.321235,0.563225);(392.333341,0.279655);(392.916675,0.20428);(393.378685,0.378562);(394.150398,0.304145);(395.259659,1.335118);(397.250008,0.375715);(399.416675,0.233767);(401.000008,0.191836);(401.250008,0.307247);(402.200275,0.194032);(403.000008,0.301756);(403.333342,0.191476);(404.067786,0.215754);(405.000008,0.315784);(405.250008,0.434497);(405.250008,0.434497);(406.246365,0.308389);(407.166675,0.654489);(407.416675,0.569193);(407.916675,0.372012);(408.250008,0.636978);(409.266752,5.753687);(410.269869,0.841939);(411.184462,0.406968);(412.916675,0.746393);(413.250009,1.247274);(414.333342,0.988206);(415.173219,8.439428);(416.334511,0.72281);(416.916675,0.228153);(419.250009,0.428886);(420.583342,0.20992);(421.223632,0.658972);(421.583342,0.210165);(422.299422,0.402035);(423.292532,2.768501);(424.341451,0.544546);(425.333342,0.216464);(426.500009,0.21646);(427.166676,0.202874);(427.500009,0.203043);(428.916676,0.259283);(429.250009,0.412553);(429.500009,0.352506);(430.250009,0.261047);(430.583342,0.258206);(431.319452,0.837393);(432.083342,0.710495);(432.416676,0.827566);(432.666676,1.009593);(432.916676,1.258794);(433.166676,1.40505);(433.333343,1.588565);(434.166676,0.594488);(434.416676,0.858113);(435.166676,0.746713);(435.416676,0.658888);(436.000009,0.269076);(436.250009,0.274987);(436.583343,0.282411);(437.321896,3.890271);(438.280899,0.327311);(441.381198,0.203761);(443.333343,0.201739);(445.00001,0.322962);(445.25001,0.572399);(445.916676,0.253737);(446.333343,0.253709);(446.833343,0.213951);(447.293158,1.216883);(447.666676,0.398553);(447.916676,0.236699);(448.376506,0.624958);(449.303021,1.676685);(450.166676,0.680151);(450.416676,0.833436);(451.297074,1.322628);(453.343593,0.478531);(455.416677,0.192686);(457.315566,1.815806);(458.314582,0.502592);(458.583343,0.202426);(459.222679,0.552307);(460.333343,0.362139);(460.583343,0.293326);(461.266063,3.126882);(462.00001,0.44422);(462.25001,0.270917);(462.50001,0.404854);(463.317707,2.320912);(464.309723,0.519238);(464.333343,0.519238);(465.181281,1.126839);(466.173735,0.413402);(471.166677,0.204431);(471.416677,0.655563);(471.916677,0.231489);(473.301319,0.472121);(474.333344,1.791617);(475.33073,38.036921);(476.284081,3.557924);(477.292858,0.983621);(478.286524,1.263352);(479.186319,0.678167);(484.328315,0.518429);(490.328979,0.563903);(491.333344,0.23463);(492.333344,0.830814);(492.916678,1.339573);(493.166678,3.125531);(493.333344,3.980171);(494.250011,0.481152)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(180.871201,0.393199);(184.907724,0.491581);(210.975619,0.642569);(213.085951,0.383807);(227.118485,0.531186);(229.03907,0.464026);(231.018209,0.433742);(237.140333,0.515096);(239.092389,0.789339);(241.103672,0.723038);(243.000004,0.525928);(245.089334,0.443821);(247.142974,0.481813);(255.132949,0.968403);(256.035323,0.431033);(257.066436,0.937731);(259.121081,0.448039);(262.118385,0.382211);(266.833338,0.593298);(267.083338,1.117385);(269.161457,0.557933);(270.000004,0.49549);(270.250004,0.529101);(271.250004,0.414705);(272.13338,0.505537);(273.097805,0.66497);(275.028004,0.557625);(277.055014,0.551139);(281.224356,0.554593);(283.166671,0.549569);(285.113408,2.769873);(286.174566,0.475917);(287.011314,0.531642);(297.250005,0.453501);(299.222381,0.522014);(301.08878,1.487163);(302.148104,1.041959);(302.750005,0.454882);(303.083339,0.788958);(306.916672,0.384066);(307.250005,0.433338);(309.130008,0.442449);(311.083339,0.395429);(315.083339,0.422905);(317.13815,0.473919);(318.108463,0.536865);(319.060616,0.467118);(320.173648,0.471518);(320.914297,0.407141);(322.833339,0.436426);(323.166673,0.622848);(325.083339,0.983551);(325.144154,1.149557);(326.192765,0.450752);(327.248109,1.925238);(328.148907,0.446162);(329.047064,0.47467);(334.916673,0.378385);(337.08334,0.515201);(337.140764,0.595022);(339.08334,0.775814);(339.33334,0.870262);(340.08334,0.383631);(341.185706,3.197178);(342.14837,0.478109);(349.233121,1.836064);(353.221514,6.704257);(354.182034,0.856847);(355.215184,3.312339);(357.193475,0.727527);(358.199797,0.600766);(359.155663,1.108755);(365.239416,0.565815);(367.307128,0.713353);(369.083341,0.494462);(369.250007,0.551107);(370.750007,0.494096);(371.168306,1.544221);(373.113246,1.076552);(377.261027,0.704816);(379.250008,0.501214);(381.190592,1.22029);(383.305177,0.900475);(385.250008,0.413721);(389.083341,0.46176);(389.416675,0.755488);(391.166675,0.526801);(391.416675,0.64237);(395.248232,2.522548);(396.185186,0.728461);(397.083341,0.434284);(397.333341,0.751481);(401.250008,0.608173);(403.166675,0.553189);(405.229061,0.726097);(407.257353,1.460083);(408.211486,0.682157);(409.29351,12.124482);(410.276788,2.060392);(411.000009,0.480179);(411.250009,0.913697);(411.947247,0.409561);(413.158677,1.945612);(414.252748,1.452128);(415.199838,10.098195);(416.201005,1.08443);(417.083342,0.463852);(417.333342,0.390609);(419.166675,0.664543);(419.416675,0.666233);(420.083342,0.396633);(421.189424,1.133117);(422.416676,0.437854);(423.307488,6.554833);(424.166676,0.720227);(424.500009,0.662118);(426.383769,0.42299);(426.750009,0.427511);(429.339096,1.108953);(430.204612,0.654556);(430.583342,0.394036);(431.000009,0.967838);(431.333342,1.617278);(432.000009,0.45092);(432.250009,0.687149);(433.024232,2.499881);(434.20005,0.971067);(435.322714,1.181566);(437.328996,8.170402);(438.333343,0.621559);(438.583343,0.42587);(443.084486,0.427364);(445.2859,0.53468);(447.336187,1.765237);(448.166676,0.766335);(448.416676,0.846176);(449.329995,2.915862);(450.00001,0.579632);(450.25001,1.083592);(451.29276,2.745644);(452.166676,0.423312);(452.416676,0.57353);(455.083343,0.396182);(455.264843,0.544049);(457.333317,3.27069);(458.229723,0.829848);(459.359168,0.426573);(460.416677,0.571261);(461.237724,2.936633);(462.00001,0.41736);(462.333343,0.778962);(463.298206,2.639665);(464.083343,0.457897);(464.333343,0.749206);(465.206534,0.906973);(465.916677,0.376302);(466.333344,0.424919);(471.271671,0.594816);(473.350653,0.818015);(474.416677,1.744813);(475.334787,75.211279);(476.310465,6.103254);(477.083344,0.744792);(477.333344,1.035121);(478.279155,1.926508);(479.231574,0.920389);(484.416677,0.421385);(492.166678,0.55232);(492.500011,0.510295);(493.280977,5.389692)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(183.99312,0.545618);(205.000343,0.582137);(207.000002,0.594534);(208.98881,1.500181);(211.044033,0.873714);(219.012943,0.587153);(227.012412,0.910489);(229.052046,0.510234);(231.004951,0.602777);(237.008173,1.189507);(239.015947,1.136608);(241.039547,1.229452);(243.032376,0.672587);(245.052566,0.604468);(246.141153,0.553413);(247.072058,1.265312);(253.064804,1.807304);(255.056923,2.433602);(256.074726,0.762718);(257.074094,2.790018);(259.067906,3.041689);(261.094136,2.133787);(265.166671,0.564101);(271.104798,1.20851);(273.069474,1.985882);(274.181833,0.528259);(275.075942,3.792189);(277.099624,1.179874);(281.1993,0.714237);(283.064993,6.616738);(284.083338,0.509726);(289.000005,0.644846);(289.250005,0.650359);(293.071812,0.638672);(295.201728,0.50245);(299.144831,0.610633);(301.073415,7.805308);(302.103223,1.266133);(313.199389,0.531709);(315.144381,0.812218);(317.122077,1.397841);(318.916672,0.513701);(323.122518,0.557134);(325.250006,0.67172);(331.168766,0.630251);(339.146678,0.515961);(340.238669,0.831526);(341.146289,2.606589);(343.171981,1.372301);(353.220637,0.529053);(355.154724,0.753211);(357.201619,4.417651);(358.151993,0.585714);(369.18117,5.052645);(370.202555,0.844351);(371.213265,3.421106);(372.198597,0.532726);(375.113229,0.524616);(387.083341,0.609455);(389.034515,0.547051);(391.268286,1.019077);(393.228672,0.58342);(395.229938,0.533265);(397.250008,0.600286);(409.280071,0.763342);(411.246747,2.026534);(421.227672,0.752494);(423.266272,1.502747);(425.270965,7.632292);(426.237793,1.383563);(427.258471,1.133488);(428.251648,0.818258);(429.247363,3.553259);(430.207665,3.326544);(431.241791,7.212567);(432.209364,0.510293);(435.250009,0.526776);(437.302149,1.27459);(439.274949,3.585562);(440.252892,0.67799);(443.218524,0.550379);(445.277529,1.817132);(446.333556,0.845535);(447.308173,3.781265);(448.166676,1.054688);(448.416676,0.931752);(449.18334,1.799947);(450.33104,0.609605);(451.27509,1.359259);(453.313757,9.576672);(454.350106,0.884747);(455.310601,0.733323);(461.166677,0.698366);(461.249115,0.888318);(463.287709,3.171453);(464.334009,3.606534);(465.283443,3.548185);(466.302806,1.143302);(467.275538,1.720255);(473.338024,3.891229);(474.323405,0.88031);(475.276945,1.065967);(476.344346,4.328346);(477.342417,10.439058);(478.333344,1.381262);(479.271354,1.83932);(480.341775,0.755204);(481.330489,2.619712);(489.166677,1.664583);(489.416677,1.294298);(490.333344,1.802928);(491.336861,100.0);(492.320937,11.823974);(493.250011,1.063039);(493.500011,0.853416);(494.240106,2.123545);(495.083344,1.776003);(495.333344,1.789994);(507.833345,0.587594);(508.416678,1.981366);(508.666678,1.719269);(508.916678,1.87777)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(204.980808,0.583792);(209.009689,1.581094);(211.017438,0.570035);(218.972208,0.57451);(223.011996,0.502491);(227.034569,0.744437);(231.083336,0.551083);(237.03282,1.166584);(239.042684,1.388317);(241.043376,1.099781);(243.052952,0.509498);(245.064317,0.613571);(247.073688,1.241893);(253.090693,1.55582);(255.043298,2.072884);(257.054701,2.758917);(259.088631,2.696012);(261.097997,2.203101);(265.083337,0.580894);(271.079999,1.155044);(273.075821,2.251376);(275.08698,3.846069);(277.116665,1.451782);(279.016689,0.546762);(281.181082,0.517468);(283.081282,7.254265);(284.094424,0.51133);(289.120357,0.671386);(293.060623,0.758889);(297.144134,0.579777);(299.025188,0.651805);(301.083642,8.234095);(302.111771,1.402089);(313.189865,0.639408);(315.105248,0.705513);(317.114732,1.150877);(318.853197,0.660999);(323.110455,0.573405);(325.189405,0.545244);(331.166471,0.521449);(339.225279,0.519757);(340.215854,0.535558);(341.132549,2.244202);(343.168957,1.310521);(353.223186,0.549946);(355.175936,0.735355);(357.181515,4.333229);(358.191552,0.696674);(369.195728,5.061936);(370.08334,0.605996);(371.204827,3.763864);(386.853635,0.518531);(391.288058,0.585859);(397.256334,0.600628);(409.25901,0.660984);(411.250977,2.075822);(423.275248,1.331584);(425.266333,8.313131);(426.283148,1.087584);(427.253345,1.074117);(428.266186,0.592534);(429.245767,3.083299);(430.177511,2.768434);(431.238787,4.942637);(437.289787,0.715747);(439.251161,3.653477);(440.261399,0.534544);(445.292269,1.67402);(447.319847,3.660682);(448.166676,0.762452);(448.416676,0.768797);(448.833343,0.606438);(449.166676,1.237358);(451.250199,0.765759);(453.320848,10.274268);(454.303488,0.725803);(455.313199,0.733456);(461.282042,0.734976);(463.319973,2.409174);(464.354199,2.233051);(465.325631,2.701342);(466.281255,0.967954);(467.304025,1.575377);(473.349409,3.973974);(474.333344,0.65469);(475.317891,1.131004);(476.362852,2.862408);(477.344536,5.309037);(478.333344,0.613985);(479.280698,1.518385);(481.261753,0.996691);(489.313146,1.462306);(490.333344,1.378339);(491.329574,100.0);(492.33016,9.771144);(493.303872,1.025291);(494.271011,1.456396);(495.20013,1.123771);(508.416678,1.191812);(508.666678,1.44397);(509.000011,1.428215);(509.250011,1.18745)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(270.833334,0.253832);(286.916668,0.439672);(287.166668,0.523546);(303.1659,0.290973);(312.416669,0.234391);(315.000002,0.461152);(315.250002,0.284257);(320.916669,0.305496);(331.170097,0.574481);(331.750003,0.165735);(332.250003,0.318138);(332.500003,0.269663);(335.166669,0.201074);(336.936171,0.167748);(344.66667,0.178232);(345.124884,0.189278);(347.120584,0.730663);(350.750003,0.259671);(359.16667,0.203494);(359.333337,0.271766);(365.16667,0.734879);(365.500004,0.340711);(369.250004,0.269097);(370.91667,0.17056);(373.16667,0.164055);(374.833337,0.262107);(375.083337,0.46698);(375.333337,0.709869);(375.333337,0.709869);(385.000004,0.354139);(385.116262,0.515798);(386.166671,0.249919);(386.416671,0.303365);(386.416671,0.303365);(388.833338,0.180699);(389.000004,0.270627);(389.250004,0.215566);(391.149947,0.649864);(391.416671,0.18092);(403.29698,0.743806);(403.916671,0.167245);(404.390607,0.197745);(405.100238,0.803549);(407.333338,0.173202);(408.430276,0.154601);(409.127043,0.189889);(419.257274,2.100657);(420.108296,0.500217);(421.129895,0.172577);(425.683705,0.257814);(427.250005,0.206566);(433.342763,0.240741);(435.000006,0.526305);(435.416672,0.660198);(435.666672,0.208796);(436.281261,0.314478);(438.355907,0.234271);(440.289397,0.327141);(444.176665,0.189118);(447.250006,0.1984);(453.166673,0.505515);(455.181789,0.198213);(457.000006,0.233771);(463.263937,0.921514);(464.166673,0.208415);(464.286254,0.195745);(467.58334,0.164913);(468.687312,0.207742);(469.08334,0.820806);(469.500007,0.928198);(470.000007,1.496758);(470.250007,2.470056);(470.58334,0.546898);(471.351518,7.439415);(472.166673,0.295228);(472.500007,0.692792);(473.000007,0.294733);(473.58334,0.195072);(473.776894,0.388334);(475.45441,0.204806);(477.271182,0.209297);(479.258488,0.999749);(480.175972,0.292635);(481.250007,0.206404);(481.500007,0.375277);(484.614898,0.161793);(487.333341,0.269752);(487.750007,0.186801);(488.289026,0.349873);(488.500007,0.20259);(488.87047,0.336708);(489.166674,0.702239);(489.500007,0.235026);(490.833341,0.157569);(491.166674,0.497307);(491.583341,0.173299);(493.416674,0.216747);(494.500007,0.20218);(497.166674,0.227742);(497.583341,0.476927);(498.412155,0.469495);(499.321703,0.392361);(507.319476,3.123212);(508.166675,0.625503);(508.416675,0.674264);(508.750008,0.374676);(509.083341,0.346269);(509.416675,0.431036);(510.500008,0.154863);(517.583341,0.269764);(519.416675,0.25219);(520.291621,0.270691);(521.000008,0.338653);(521.250008,0.311178);(521.500008,0.342012);(522.416675,0.51895);(522.416675,0.51895);(523.307183,1.835549);(524.166675,0.561486);(526.195618,0.259968);(527.333342,0.219852);(528.250008,0.155764);(528.511225,0.299114);(529.333342,0.210802);(529.583342,0.180201);(535.217506,0.28874);(536.583342,0.199381);(539.373325,0.156211);(541.192817,0.209457);(545.500009,0.290844);(547.500009,0.209893);(550.250009,0.174621);(551.166676,0.686727);(551.284052,0.86116);(551.666676,0.25276);(553.166676,0.288257);(553.196026,0.288257);(554.250009,0.256322);(554.583343,0.168684);(555.250009,0.247007);(555.500009,0.204917);(555.916676,0.178402);(557.000009,0.188018);(557.30982,0.580655);(558.166676,0.232991);(558.416676,0.275347);(566.916676,0.161996);(567.322678,2.214359);(567.916676,0.274775);(568.416676,0.43876);(568.666676,0.540975);(569.166676,0.270459);(569.26112,0.270459);(569.666676,0.190575);(570.18506,0.164835);(576.50001,0.19849);(577.25001,0.272707);(578.583343,0.271704);(579.166677,0.232137);(579.50001,0.198337);(579.50001,0.198337);(583.192402,0.3828);(583.600934,0.1798);(584.440728,0.318296);(585.25001,0.332176);(585.352883,0.50728);(586.372382,0.205062);(587.083344,0.161607);(589.166677,0.233359);(589.833344,0.175306);(591.00001,0.181582);(593.291488,0.192011);(595.25001,4.26484);(595.50001,4.34026);(596.166677,0.705556);(596.416677,1.079287);(598.261879,0.465583);(599.500011,0.372537);(600.210401,0.242631);(601.583344,0.187939);(601.916677,0.204575);(602.089147,0.233916);(602.416677,0.160673);(603.204975,0.366281);(605.583344,0.232304);(606.666677,0.159656);(607.250011,0.174367);(610.363468,0.185726);(611.000011,1.031625);(611.333344,1.871513);(612.250011,0.429759);(612.500011,0.567537);(613.376259,0.242714);(614.166678,0.196555);(614.416678,0.336027);(615.359151,0.228189);(616.306839,0.17769);(617.866398,0.243415);(620.879041,0.207949);(622.102207,0.202629);(624.500011,0.325024);(626.333345,0.167423);(628.166678,0.254535);(628.416678,0.250045);(629.166678,2.862464);(629.416678,2.635815);(629.666678,1.519226);(630.083345,6.524865);(630.333345,6.549074);(631.25634,3.553046);(632.320378,0.955942);(632.583345,0.586308);(632.833345,0.285381);(633.250012,0.205058);(633.583345,0.197382);(634.583345,0.163441);(637.253846,0.210275);(638.916678,0.419628);(639.250012,0.896885);(639.365037,1.214921);(640.426193,0.549863);(640.666678,0.263519);(641.308643,0.74396);(641.583345,0.528339);(642.166679,0.187316);(643.250012,0.458243);(643.500012,0.53979);(644.083345,0.270617);(644.333345,0.2091);(645.356308,0.216586);(646.416679,0.379024);(649.558442,0.354183);(655.583346,0.349687);(656.166679,0.217849);(657.416679,0.797825);(657.666679,0.813056);(658.500012,0.533466);(658.750012,0.311079);(659.407439,6.514452);(660.457987,7.436182);(661.000012,0.837231);(661.513405,2.859619);(662.358347,4.394519);(662.916679,1.156523);(663.250012,1.204494);(663.666679,0.567905);(664.166679,0.374567);(666.416679,0.204786);(667.166679,0.210657);(667.416679,0.593301);(667.750013,0.173848);(668.916679,0.22129);(669.333346,0.338221);(669.333346,0.338221);(671.500013,0.370793);(672.583346,0.315144);(673.333346,0.185103);(675.355286,0.39594);(677.583346,0.229596);(677.677434,0.229596);(680.91668,0.155613);(682.250013,1.088409);(682.500013,0.183422);(683.436894,4.480626);(684.450036,4.914645);(685.481426,2.793444);(686.333346,0.156768);(686.66668,0.257684);(687.243744,0.292281);(691.098616,0.243394);(693.333347,0.430346);(694.500013,0.160609);(694.91668,0.177663);(695.514993,0.362965);(696.833347,0.182479);(697.428456,0.343314);(698.833347,0.229993);(699.083347,0.231994);(699.250014,0.271406);(699.583347,0.57905);(701.312484,0.227455);(702.665598,0.229311);(704.500014,0.393643);(704.627588,0.501448);(705.000014,0.597269);(705.41668,0.511458);(705.91668,0.900061);(706.833347,0.296028);(711.500014,0.162321);(714.379264,0.252949);(715.445886,0.265315);(717.750014,0.220082);(719.416681,0.212268);(721.416681,0.301486);(721.501999,0.301486);(721.833348,0.264245);(723.333348,0.237978);(726.333348,0.172708);(727.416681,0.176484);(727.666681,0.463905);(730.183879,0.242862);(733.333348,0.204209);(735.349039,0.161272);(737.500015,0.215383);(741.4239,0.493023);(743.333348,0.21978);(745.416682,0.71134);(745.833348,0.238568);(746.333348,0.2277);(746.333348,0.2277);(747.868034,0.214644);(749.020213,0.183998);(751.083348,0.196817);(751.416682,0.285036);(753.000015,0.171535);(753.666682,0.163433);(755.333349,0.173464);(757.366366,0.210542);(759.384334,0.416384);(761.750015,0.21417);(765.511846,0.257461);(768.354966,0.218324);(769.666682,0.163636);(770.000016,0.176468);(770.525287,0.177787);(771.416682,0.242778);(771.750016,0.310297);(772.000016,0.189997);(772.333349,0.256648);(773.333349,0.491844);(773.583349,0.373247);(774.583349,0.190575);(775.666682,0.204154);(776.358444,0.295934);(777.333349,0.298204);(777.833349,0.272244);(778.166683,0.411043);(778.696766,0.985283);(779.000016,0.356122);(779.333349,0.545101);(779.500016,0.632717);(779.750016,0.637555);(780.781857,0.18015);(782.44907,0.22951);(783.825363,0.36173);(784.583349,0.305209);(785.000016,0.250862);(785.500016,0.335889);(787.210276,0.261961);(789.33335,0.254983);(789.399261,0.254983);(791.198048,0.352126);(791.814772,0.173312);(792.753075,0.395795);(793.416683,0.251208);(795.666683,0.190245);(796.250016,0.195077);(797.538661,0.206277);(799.500017,0.558068);(799.507899,0.558068);(800.83335,0.372808);(801.250017,0.350196);(801.416683,0.425824);(801.750017,0.251481);(802.103896,0.429471);(803.427877,0.203);(804.612419,0.354819);(805.752969,0.589261);(806.250017,0.306244);(807.58335,0.181792);(808.58335,0.260606);(809.58335,0.276067);(810.58335,0.30869);(811.500017,0.294353);(813.750017,0.208076);(814.220784,0.158334);(815.768501,0.190297);(819.850707,0.302136);(820.58335,0.256062);(821.265677,0.365339);(822.666684,0.15514);(824.446369,0.157256);(825.047433,0.156327);(827.500527,0.405226);(828.583351,0.250635);(831.5311,0.414314);(835.250018,0.4631);(835.500018,0.787213);(836.333351,0.166518);(836.500018,0.267657);(836.833351,0.309725);(837.52132,0.720675);(837.916684,0.294011);(838.416684,0.380314);(839.270546,0.194948);(839.666684,0.251824);(840.670189,0.219618);(842.709397,0.294741);(842.916684,0.199686);(843.500018,0.289155);(843.666685,0.385528);(847.413523,0.178004);(847.666685,0.161921);(847.833351,0.185766);(848.525763,0.512817);(851.565265,0.243522);(852.000018,0.155757);(852.166685,0.165727);(852.619709,0.250383);(853.166685,0.1814);(853.583351,0.330055);(854.677618,0.307329);(855.265183,0.244236);(855.683026,0.679696);(856.083352,0.489656);(856.416685,0.610845);(857.416685,0.570999);(857.666685,0.548519);(860.500018,0.24525);(860.750018,0.223993);(861.358658,0.362928);(861.666685,0.412224);(862.416685,1.21929);(862.666685,1.264736);(863.563697,2.52451);(864.391848,0.388651);(864.750018,0.329772);(865.666685,0.24978);(868.290807,0.318725);(868.770833,0.204991);(870.333352,0.197284);(870.695633,0.190551);(871.083352,0.201611);(872.524233,0.203907);(873.583352,0.368661);(875.000019,0.326549);(877.166686,0.605982);(877.570836,2.173311);(878.500019,1.079927);(878.750019,0.657137);(879.500019,0.573732);(879.750019,0.405525);(880.083352,0.406486);(880.333352,0.551587);(880.583352,0.44798);(881.083352,0.206032);(881.416686,0.529169);(881.666686,0.895205);(882.250019,0.410958);(882.666686,0.675118);(882.916686,0.426825);(882.916686,0.426825);(883.333352,0.223157);(883.666686,0.816523);(884.333352,0.177913);(884.583352,0.274204);(885.333352,0.287139);(885.583352,0.182883);(894.666686,0.17931);(894.916686,0.314863);(895.382993,0.548669);(895.750019,1.096022);(896.414771,0.455522);(896.847077,0.591584);(897.333353,0.42824);(897.833353,0.719148);(898.674969,0.454108);(898.916686,0.232797);(899.666686,0.158641);(900.333353,0.166258);(900.531169,0.340259);(901.25002,0.481938);(901.50002,0.604815);(901.930927,0.20501);(902.416686,0.227453);(902.666686,0.178867);(904.414232,0.401854);(905.416686,0.415509);(905.666686,0.30624);(905.916686,0.435607);(906.664506,0.228053);(907.678248,0.983531);(908.166686,0.823736);(908.50002,1.535186);(908.833353,1.745219);(909.083353,1.381181);(909.665817,2.214238);(910.551583,0.60812);(911.00002,0.219589);(911.50002,0.254523);(911.75002,0.219053);(912.00002,0.158024);(912.333353,0.333282);(912.833353,0.183211);(913.520654,0.349451);(913.916687,0.251554);(917.50002,0.279556);(918.583353,0.27582);(920.219858,0.195764);(921.416687,0.24077);(921.81548,0.495607);(922.50002,1.191499);(922.75002,1.283199);(923.00002,0.714375);(923.561725,1.453442);(924.00002,1.110444);(924.416687,0.478495);(924.75002,0.520215);(925.333354,0.454414);(925.75002,0.631315);(926.166687,0.173402);(930.666687,0.248749);(931.083354,0.44537);(931.583354,0.261601);(933.916687,0.185658);(939.583354,3.515539);(939.833354,4.126998);(940.666687,4.869455);(941.670745,30.789596);(942.666687,3.594679);(942.692154,3.594679)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(260.916667,0.305609);(271.16969,0.426886);(286.784301,0.440448);(287.083335,0.322877);(288.357602,0.296955);(291.279883,0.204351);(301.083335,0.407156);(302.916668,0.234085);(311.05751,0.244783);(315.22427,0.534358);(317.333335,0.233654);(321.250002,0.316625);(331.227642,0.929166);(335.210775,0.530566);(343.045501,0.247418);(345.005355,0.27037);(347.16667,0.816916);(349.375722,0.207893);(351.250003,0.183976);(359.138701,0.447248);(365.000004,0.255757);(365.250004,0.391893);(374.916671,0.538456);(375.166671,1.229589);(376.280145,0.366789);(376.500004,0.194847);(384.185345,0.211706);(385.168145,0.900278);(389.250004,0.247694);(391.000004,0.45759);(391.333338,0.479578);(395.574559,0.197758);(397.152275,0.251543);(401.268392,0.260004);(403.083338,0.249012);(405.108719,0.444708);(406.333338,0.196483);(407.083338,0.225714);(411.312705,0.210434);(418.916672,0.518325);(419.166672,1.46625);(419.416672,1.569704);(420.166672,0.517787);(423.333339,0.202395);(426.010001,0.235917);(429.444654,0.27631);(435.166672,0.625577);(435.244654,0.625577);(436.284304,0.34512);(440.218849,0.236063);(446.863362,0.21862);(447.263727,0.322578);(452.08334,0.261519);(463.174161,1.248523);(463.500007,0.524416);(464.191322,0.28087);(464.58334,0.280305);(467.36104,0.218016);(468.916673,0.264044);(469.08334,0.347856);(469.416673,0.797945);(469.666673,0.581471);(469.916673,1.824806);(470.250007,2.175804);(470.58334,0.755384);(471.299573,8.241678);(472.08334,0.423433);(472.33334,0.887801);(475.193412,0.17999);(478.666674,0.235724);(479.166674,0.664);(479.228342,0.818108);(480.289956,0.299273);(485.342549,0.200724);(486.415329,0.182606);(488.166674,0.259819);(489.000007,0.435927);(489.250007,0.7386);(491.274247,0.667093);(493.146919,0.288525);(493.500007,0.293641);(495.428305,0.216195);(497.298353,0.598934);(498.500008,0.724641);(502.083341,0.20378);(507.341314,3.17589);(507.833341,0.19484);(508.083341,0.370864);(508.417552,0.850156);(509.083341,0.612189);(509.416675,0.49735);(517.463214,0.211589);(521.000008,0.401379);(521.327022,0.58737);(522.032223,0.236845);(522.416675,0.53929);(523.274965,1.501841);(524.000008,0.285352);(524.51211,0.328929);(525.263186,0.181534);(529.000008,0.183357);(535.500009,0.214751);(537.250009,0.205877);(547.333342,0.191568);(551.083342,0.66223);(551.416676,1.326085);(551.833342,0.560398);(552.249753,0.325346);(552.500009,0.187974);(552.666676,0.287492);(554.250009,0.457697);(554.500009,0.201287);(555.000009,0.184783);(556.323168,0.343439);(556.333343,0.343439);(557.083343,0.431561);(557.416676,0.485069);(558.314554,0.538655);(559.262072,0.396794);(565.22332,0.203818);(567.379042,2.030933);(568.333343,0.325354);(569.166676,0.210226);(570.166676,0.272945);(570.416676,0.233604);(573.916676,0.328817);(574.166676,0.180095);(577.50001,0.285198);(579.666677,0.187195);(580.75001,0.261878);(583.213891,0.348693);(583.50001,0.201254);(584.336552,0.363595);(585.198062,0.39478);(585.583343,0.450115);(586.083343,0.433202);(586.333344,0.294178);(587.333344,0.259081);(590.00001,0.189703);(593.287281,0.415472);(594.416677,0.275352);(595.375099,5.073153);(596.329923,1.521002);(596.75001,0.448229);(597.333344,0.227881);(598.083344,0.279254);(599.666677,0.256608);(601.697142,0.245411);(602.315851,0.257843);(605.293371,0.301534);(605.500011,0.253069);(606.416677,0.187508);(607.263995,0.277949);(611.419643,3.118891);(612.426839,0.893512);(613.035797,0.471984);(613.250011,0.193557);(613.500011,0.210793);(613.750011,0.216082);(614.083344,0.214049);(614.250011,0.295604);(614.666678,0.33934);(615.000011,0.27334);(615.166678,0.267732);(621.166678,0.416064);(627.500011,0.178211);(628.166678,0.193712);(628.500011,0.656577);(629.287578,4.318509);(630.237063,9.458198);(631.255968,5.059118);(631.833345,0.380905);(632.358217,1.106428);(632.750012,0.505256);(633.528621,0.422355);(635.489701,0.396109);(639.382706,1.498029);(640.438875,0.554654);(641.166678,0.337947);(641.416678,0.623874);(641.750012,0.19219);(642.666679,0.425295);(643.416679,0.296655);(643.833345,0.294876);(644.437147,0.273106);(645.333345,0.365243);(645.692819,0.258658);(647.48947,0.323992);(649.502906,0.210286);(655.529197,0.20865);(655.750012,0.189956);(656.416679,0.29883);(656.666679,0.248596);(657.48196,0.758748);(658.083346,0.410796);(658.333346,0.868933);(658.750012,0.430486);(659.42417,8.627974);(660.443996,6.111539);(661.386579,3.902229);(662.329608,4.323043);(663.233235,2.006139);(664.000012,0.271162);(666.182008,0.199503);(667.250013,0.239088);(667.583346,0.415355);(669.333346,0.188774);(671.250013,0.218427);(673.333346,0.253671);(682.333346,0.497748);(682.392019,0.602921);(683.402579,3.761962);(684.425431,4.976883);(685.336518,3.43828);(686.083346,0.221494);(686.833347,0.267575);(691.750013,0.230426);(694.91668,0.2842);(695.384722,0.391779);(695.750013,0.192315);(696.000013,0.352531);(696.071107,0.352531);(696.41668,0.192746);(697.41668,0.219994);(698.26773,0.236509);(698.621823,0.261435);(699.333347,0.343468);(699.415544,0.343468);(700.11163,0.21362);(700.66668,0.225906);(701.41668,0.358986);(704.000014,0.266504);(704.206494,0.450708);(704.500014,0.42043);(704.91668,0.580999);(705.16668,0.727151);(705.500014,0.639301);(706.19824,0.780382);(706.91668,0.204943);(709.333347,0.222326);(709.788026,0.340154);(712.919114,0.231068);(713.529021,0.232333);(715.528815,0.254913);(719.000014,0.200644);(721.401035,0.251166);(724.291885,0.327111);(725.44459,0.216613);(728.679886,0.252433);(733.624946,0.273533);(740.434627,0.249911);(741.583348,0.337825);(745.000015,0.199301);(745.416682,0.432989);(746.583348,0.256063);(755.583349,0.230652);(758.833349,0.361805);(759.333349,0.348424);(760.000015,0.253657);(760.500015,0.19174);(765.500016,0.233834);(765.750016,0.288228);(766.666682,0.2677);(767.000016,0.203467);(767.366796,0.268057);(767.750016,0.273843);(768.434579,0.401648);(769.666682,0.337053);(770.583349,0.255941);(770.583349,0.255941);(773.583349,0.44871);(776.250016,0.214305);(777.166683,0.332913);(777.500016,0.461373);(778.083349,0.20187);(778.522886,1.914659);(779.600344,0.58341);(783.750016,0.235287);(784.366615,0.266605);(785.000016,0.272871);(785.535648,0.316852);(787.264479,0.252354);(790.416683,0.279548);(792.666683,0.340591);(794.83335,0.207393);(797.08335,0.228104);(797.416683,0.281085);(799.08335,0.239166);(799.463638,0.630724);(799.83335,0.423112);(800.250017,0.203748);(801.38309,0.485464);(802.000017,0.205898);(803.166683,0.216627);(803.58335,0.227909);(804.13314,0.218341);(805.58335,0.287697);(805.916683,0.181401);(809.508611,0.273622);(810.500017,0.221127);(813.58335,0.279302);(814.58335,0.289525);(815.166684,0.536028);(815.264599,0.536028);(815.666684,0.277173);(816.542331,0.300137);(820.750017,0.309395);(821.166684,0.179956);(821.527534,0.712321);(822.000017,0.325489);(824.51011,0.252818);(828.00419,0.192486);(829.250017,0.252431);(829.362299,0.252431);(834.583351,0.217593);(835.416684,0.967726);(835.750018,0.945565);(836.250018,0.622767);(836.750018,0.540471);(837.406014,0.941166);(837.666684,0.509005);(838.250018,0.308387);(838.500018,0.336415);(839.666684,0.250957);(840.505264,0.192403);(841.000018,0.194952);(842.750018,0.472365);(843.000018,0.253663);(843.166684,0.416909);(843.500018,0.623957);(851.484556,0.253453);(852.583351,0.684806);(853.666685,0.328252);(855.166685,0.449193);(855.416685,0.415773);(855.833352,0.321001);(856.083352,0.383048);(856.333352,0.802335);(857.083352,0.341592);(857.500018,0.546493);(858.806535,0.263568);(859.686284,0.339625);(860.454919,0.472987);(860.990455,0.44352);(861.361074,0.380705);(861.666685,0.361872);(862.000018,0.273263);(862.333352,0.699854);(862.583352,0.760051);(862.833352,0.446147);(863.416685,1.553025);(863.666685,2.483087);(864.000018,0.52358);(864.583352,0.410114);(864.916685,0.27638);(865.166685,0.335818);(866.944144,0.213728);(868.416685,0.262199);(871.416685,0.415389);(876.083352,0.187335);(876.666685,0.54622);(877.481219,3.709319);(878.516911,2.11492);(879.211435,0.264676);(879.666686,0.409857);(879.916686,0.259636);(880.250019,0.340164);(880.583352,0.346782);(881.000019,0.242528);(881.215931,0.548578);(881.756924,0.762552);(882.583352,1.006352);(882.833352,0.878198);(883.166686,0.231772);(883.536825,1.227784);(884.583352,0.32087);(887.083352,0.273936);(893.680455,0.330212);(894.500019,0.356903);(894.833353,0.519851);(895.419992,0.486758);(895.916686,0.564762);(896.250019,0.514501);(896.666686,0.558514);(897.250019,0.63448);(897.666686,1.015717);(898.416686,0.68503);(898.666686,0.482216);(900.257982,0.33002);(901.833353,0.297026);(902.182001,0.468233);(904.58301,0.240044);(904.583353,0.240044);(905.333353,0.611308);(906.583353,0.280099);(907.083353,0.220934);(907.416686,0.525799);(907.666686,0.233643);(907.916686,0.2842);(908.166686,0.556345);(908.583353,1.940515);(908.833353,1.945118);(909.560715,3.279541);(910.333353,1.03554);(910.583353,0.546186);(910.833353,0.362393);(911.25002,0.179681);(912.251352,0.26321);(912.666687,0.193215);(913.583353,0.365654);(914.114968,0.281966);(914.477741,0.396095);(915.041755,0.217976);(916.666687,0.289296);(917.75002,0.301409);(918.416687,0.178522);(919.608044,0.189844);(920.333353,0.260602);(920.715712,0.311396);(921.083353,0.618245);(921.50002,0.62279);(921.833354,0.612918);(921.833354,0.612918);(922.544541,1.371903);(923.083354,0.843232);(923.333354,1.254688);(923.666687,2.165674);(924.333354,0.463568);(924.333354,0.463568);(924.75002,0.755011);(925.166687,0.519033);(925.166687,0.519033);(925.666687,0.384711);(926.00002,0.306139);(926.617688,0.313274);(927.583354,0.198375);(929.50002,0.349982);(930.333354,0.512781);(931.083354,0.421288);(931.624468,0.754706);(933.075176,0.3223);(936.195549,0.25808);(938.916687,0.208542);(939.166687,0.701043);(939.745237,3.955824);(940.666687,5.59271);(941.660539,35.490107);(942.661642,5.414155)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(447.346504,0.600242);(473.343077,1.93247);(491.330994,13.256736);(509.344815,100.0);(510.319728,1.999548);(526.950977,9.82532);(943.661279,3.15239);(961.651769,35.77036);(962.666688,1.270588)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(473.339054,1.731466);(491.356297,11.723662);(509.350464,100.0);(510.333341,1.084902);(526.975292,9.498969);(943.6736,3.068581);(961.629967,31.833948);(962.750021,0.654413)
LC-MS/MS	Not Available	positive	Not Available	View 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LC-MS/MS	Not Available	positive	Not Available	View 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Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(101.0597059,0.5467508054);(169.1223062,0.4497774964);(221.1536063,0.457540651);(235.1692564,0.4098767846);(405.3151924,0.6160580788);(407.3308424,6.598989216);(409.3464925,1.165998127);(413.3050216,0.425658614);(423.325757,0.8732626411);(425.3414071,5.696946687);(427.3570572,0.8563032293);(435.325757,10.83160479);(439.3206717,0.4449439718);(441.3363217,0.6325497674);(443.3155863,0.4048882833);(443.3519718,0.5380438543);(453.3363217,32.21757292);(455.3155863,1.083203367);(471.3468864,16.08736188)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(101.0597059,0.7195885117);(121.1011768,0.6842200994);(139.1117415,0.7334580418);(149.132477,0.6920948816);(167.1430416,0.7380775193);(175.148127,0.721178913);(217.1223062,0.6188618847);(219.1379563,0.6288787083);(235.1692564,0.7551677717);(351.2682422,0.8482728598);(365.2838922,1.048338077);(379.2631568,0.8637364765);(381.2788068,0.8235095811);(383.2944569,0.9967801481);(385.2737215,0.7410955284);(385.310107,0.8672726541);(397.2737215,0.7922716659);(397.3464925,0.6163994377);(405.3151924,1.186408969);(407.3308424,6.619756663);(409.3464925,1.872116815);(423.325757,1.091510186);(425.3050216,0.7768778292);(425.3414071,6.440332545);(427.3570572,0.7521196347);(435.325757,8.411623788);(439.3206717,0.7456348898);(443.3519718,1.888491323);(453.3363217,9.611789461);(455.3155863,0.9549362397);(471.3468864,2.403812918)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(65.03857658,1.324430225);(67.05422664,1.405764774);(133.1011768,1.005326873);(137.0960915,1.087056593);(137.132477,0.9946439675);(147.1168269,0.9753322509);(149.132477,0.8665893771);(165.1273916,1.338797794);(175.148127,2.745115731);(189.1637771,0.894946007);(339.2682422,1.116533283);(351.2682422,1.09087607);(353.2475067,1.077411264);(353.2838922,0.9930902155);(363.2682422,1.6415243);(365.2838922,3.045931321);(379.2995423,1.131383462);(381.2788068,1.805004832);(383.2944569,0.8440240524);(385.310107,1.003993296);(395.3308424,0.8622587116);(405.3151924,1.001335609);(407.3308424,1.758019194);(409.3464925,1.650015563);(423.325757,1.343020696);(425.3050216,0.8862552602);(425.3414071,1.35483);(435.325757,1.086313822);(441.2999362,1.169028321);(443.3155863,1.073332202);(455.3155863,2.321779054)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(407.3319396,7.984905603);(425.3425043,15.34046539);(433.3112041,0.8479745377);(451.3217688,14.95195428);(453.3010334,1.04513425);(469.3323335,52.45256307)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(407.3319396,20.59395644);(423.3268542,1.991330434);(425.3425043,23.51118047);(451.3217688,15.24859454);(453.3010334,1.788609461);(469.3323335,23.23791714)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(43.0189383,1.583977159);(44.99820285,2.531046719);(71.05023842,0.6866506189);(85.02950298,0.5525768127);(99.08153855,0.5764437666);(257.191089,0.6927484441);(271.2067391,0.9023421855);(285.2223891,0.6927484441);(313.1809182,0.7516790001);(315.1965683,0.5620647684);(381.2435185,0.546000549);(383.2955541,1.201376707);(395.2955541,0.6194661862);(395.3319396,2.326621795);(397.3112041,1.03326893);(397.3475896,4.149340138);(407.2955541,2.677027778);(407.3319396,2.959395256);(409.3112041,13.79742442);(421.3112041,2.538242308);(423.3268542,1.707452361);(425.3425043,4.648438529);(435.2904687,3.164637049);(437.3061188,2.244053155);(439.2853833,1.012462537);(439.3217688,2.784604983);(441.3010334,1.48666536);(441.3374189,1.692002837);(451.3217688,3.193419309);(453.3010334,7.390634127);(469.3323335,1.041218932)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(407.33084,12.49);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(453.33632,33.64);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(41.03858,6.01);(69.06988,7.13);(109.10118,7.41);(109.10118,7.41);(109.10118,7.41);(133.10118,5.19);(133.10118,5.19);(133.10118,5.19);(153.12739,4.99);(167.14304,5.88);(167.14304,5.88);(167.14304,5.88);(167.14304,5.88);(167.14304,5.88);(181.12231,5.23);(181.12231,5.23);(181.12231,5.23);(181.12231,5.23);(187.14813,6.9);(187.14813,6.9);(267.17434,5.45);(363.26824,7.33);(363.26824,7.33);(371.25807,4.84);(377.28389,5.55);(383.29446,6.55);(383.29446,6.55);(397.27372,6.34);(397.27372,6.34);(397.31011,6.36);(405.31519,17.77);(407.33084,39.76);(409.34649,17.11);(411.28937,9.37);(411.28937,9.37);(411.28937,9.37);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(413.30502,39.29);(421.31011,8.51);(423.32576,5.75);(423.32576,5.75);(423.32576,5.75);(423.32576,5.75);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(425.34141,47.13);(427.35706,7.29);(427.35706,7.29);(427.35706,7.29);(427.35706,7.29);(435.32576,9.14);(441.33632,10.54);(441.33632,10.54);(441.33632,10.54);(441.33632,10.54);(443.35197,7.34);(443.35197,7.34);(443.35197,7.34);(443.35197,7.34);(451.32067,16.35);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(453.33632,37.81);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0);(471.34689,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,55.04);(55.05423,51.55);(55.05423,51.55);(67.05423,25.47);(69.06988,84.44);(71.08553,19.59);(83.08553,17.93);(101.05971,17.46);(101.05971,17.46);(109.10118,29.15);(109.10118,29.15);(109.10118,29.15);(121.10118,17.71);(123.11683,100.0);(123.11683,100.0);(125.13248,15.45);(125.13248,15.45);(133.10118,12.79);(133.10118,12.79);(133.10118,12.79);(137.09609,21.9);(189.16378,21.84);(189.16378,21.84);(223.16926,16.15);(223.16926,16.15);(223.16926,16.15);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(235.16926,20.79);(237.18491,17.41);(237.18491,17.41);(237.18491,17.41);(237.18491,17.41);(237.18491,17.41);(285.18491,22.33);(285.18491,22.33);(285.18491,22.33);(285.18491,22.33);(285.18491,22.33);(285.18491,22.33);(289.21621,13.01);(289.21621,13.01);(289.21621,13.01);(289.21621,13.01);(301.17982,29.37);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(303.19547,49.66);(305.21112,36.25);(305.21112,36.25);(305.21112,36.25);(349.25259,16.36);(349.25259,16.36);(363.26824,48.69);(363.26824,48.69);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(369.27881,19.64);(383.29446,13.49);(383.29446,13.49);(385.27372,12.98);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(425.34141,28.69);(437.30502,21.14);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05);(453.33632,39.05)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(451.32177,14.4);(451.32177,14.4);(451.32177,14.4);(451.32177,14.4);(451.32177,14.4);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(165.12849,9.6);(167.14414,8.95);(371.25917,5.1);(409.3112,10.5);(409.3112,10.5);(411.29047,16.36);(413.30612,10.2);(413.30612,10.2);(413.30612,10.2);(425.3425,9.52);(435.29047,17.21);(435.29047,17.21);(437.26973,12.66);(441.30103,7.72);(441.30103,7.72);(441.30103,7.72);(441.33742,21.82);(441.33742,21.82);(441.33742,21.82);(441.33742,21.82);(451.32177,10.85);(451.32177,10.85);(451.32177,10.85);(451.32177,10.85);(451.32177,10.85);(453.30103,13.42);(453.30103,13.42);(467.31668,19.32);(467.31668,19.32);(467.31668,19.32);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0);(469.33233,100.0)

Food Sources

	Name	Group
	Liquorice	Confectioneries and desserts	Publications	Show

Food Sources of its Food Phytochemical(s)

	Food Phytochemical	Food Source	Food Source Group
	Glycyrrhizin	Liquorice	Confectioneries and desserts	Publications	Show
	Glycyrrhetinic acid	Liquorice	Confectioneries and desserts	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Glycyrrhetinic acid		Glycyrrhetinic acid	human	plasma, urine	unchanged	3h-5h	5-20µmol/L	<1%	C₃₀H₄₆O₄	470.339609961	Detailed Intervention Studies	Publications
	Glycyrrhizin		Glycyrrhetinic acid	human rat	bile, plasma, urine	gut microbiota metabolite	12h-24h	<20 nmol/L	Not Available	C₃₀H₄₆O₄	470.339609961	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Glycyrrhetinic acid