precursor

Showing entry for Tetramethylscutellarein

Identification

PhytoHub ID
PHUB000908
Name
Tetramethylscutellarein
Systematic Name
Not Available
Synonyms
  • 5,6,7,4'-Tetramethoxyflavone
CAS Number
Not Available
Average Mass
342.347
Monoisotopic Mass
342.1103383
Chemical Formula
C19H18O6
IUPAC Name
5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key
URSUMOWUGDXZHU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.05e-02 g/l
LogS (ALOGPS)
-4.51
LogP (ALOGPS)
3.17
Hydrogen Acceptors
6
Hydrogen Donors
0
Rotatable Bond Count
5
Polar Surface Area
63.22000000000001
Refractivity
92.82400000000001
Polarizability
36.03935687441436
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.278862093058317
pKa (strongest acidic)
Not Available
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
O-methylated flavonoids
Direct Parent Name
7-O-methylated flavonoids
Alternative Parent Names
["4'-O-methylated flavonoids", "5-O-methylated flavonoids", "6-O-methylated flavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous esters"]
External Descriptor Annotations
["Flavones and Flavonols", "flavones", "tetramethoxyflavone"]
Substituent Names
["1-benzopyran", "4p-methoxyflavonoid-skeleton", "5-methoxyflavonoid-skeleton", "6-methoxyflavonoid-skeleton", "7-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous ester"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(117.0334885,1.710388586);(131.0491377,1.360494369);(132.0569623,2.768487801);(133.0647869,5.896151025);(135.0440518,1.692995031);(158.0362272,1.892251126);(159.0440518,1.39204503);(160.0518764,2.576161195);(161.059701,2.64828645);(166.0624397,1.714930243);(182.0573538,1.577067339);(194.0573538,2.927902756);(195.0651784,1.378077282);(208.073003,4.738458076);(209.0808276,1.65369386);(210.0522679,1.794142955);(256.073003,3.71226885);(257.0808276,2.470687655);(258.0886522,1.844087992);(298.0835663,2.164935175);(299.0913909,3.898590803);(310.0835663,5.610748924);(311.0913909,4.843713228);(312.0992155,8.749745649);(313.1026129,1.800394716);(313.1070401,3.490444597);(314.1148647,6.325520094);(326.0784804,3.985260588);(327.086305,7.768211455);(328.0897018,1.600175886);(342.1097788,4.013681265)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(108.0569623,0.7576532045);(131.0491377,0.786928654);(132.0569623,1.787003533);(133.0647869,1.432913368);(135.0440518,0.9738077493);(158.0362272,1.158285311);(159.0440518,0.7594543002);(160.0518764,1.348145839);(161.059701,0.9775464564);(166.0624397,1.072014506);(168.0780889,0.7977850554);(194.0573538,3.062880726);(195.0651784,1.615371134);(208.073003,1.774699938);(256.073003,2.395186123);(257.0808276,1.239216355);(258.0886522,1.130996935);(297.0757417,1.155062743);(298.0835663,1.401074123);(299.0913909,2.835016268);(310.0835663,2.538206196);(311.0913909,2.804406784);(312.0992155,4.449930122);(313.1026129,0.9156415512);(313.1070401,1.677677185);(314.1148647,3.014878793);(326.0784804,2.579128257);(327.086305,7.348238463);(328.0897018,1.51366554);(341.1019542,0.8511027498);(342.1097788,2.788124319)
LC-MS/MSLC-ESI-qTofPositiveNot AvailableView Spectrum(95.051392,144.0);(95.068855,200.0);(95.987022,120.0);(96.045525,392.0);(96.066986,108.0);(97.748024,100.0);(97.905502,168.0);(98.556465,196.0);(100.448463,132.0);(101.003761,204.0);(103.114944,60.0);(103.315125,40.0);(104.3657,196.0);(105.722198,52.0);(105.965866,152.0);(106.029953,440.0);(106.725281,120.0);(107.900482,208.0);(108.312294,44.0);(109.032242,144.0);(109.404564,192.0);(109.433708,132.0);(111.832741,144.0);(114.000511,140.0);(114.822258,160.0);(115.959648,152.0);(117.868484,104.0);(118.147392,148.0);(118.658501,148.0);(118.960045,156.0);(121.671425,148.0);(122.022598,1024.0);(122.183487,32.0);(122.454239,104.0);(122.634903,264.0);(122.886292,120.0);(122.917183,140.0);(123.297012,132.0);(123.363319,216.0);(123.994141,168.0);(124.017036,384.0);(124.040543,15488.0);(124.105293,56.0);(124.131584,60.0);(124.322365,48.0);(124.346771,44.0);(124.402267,72.0);(124.693237,48.0);(124.975655,60.0);(125.015701,164.0);(125.043739,1560.0);(125.318535,76.0);(125.374245,60.0);(125.461166,84.0);(125.65966,80.0);(125.925293,116.0);(126.025818,120.0);(126.047989,168.0);(126.428314,52.0);(129.836899,60.0);(130.281784,84.0);(140.033813,320.0);(140.962555,160.0);(141.045273,96.0);(144.383438,92.0);(148.363678,72.0);(169.050735,80.0);(179.147049,108.0);(240.702133,32.0);(241.765518,28.0);(261.886658,56.0);(400.384369,64.0);(932.057434,232.0);(1016.099548,124.0);(1041.287842,88.0);(1041.808105,232.0);(1046.213135,168.0);(1078.24292,148.0);(1086.230713,76.0);(1097.04126,172.0);(1103.484497,132.0);(1118.223755,152.0);(1139.676025,236.0);(1140.704224,100.0);(1142.27771,188.0);(1147.213623,152.0);(1226.693604,192.0);(1243.578491,44.0);(1253.832397,204.0);(1257.365601,164.0);(1263.590698,128.0);(1264.850342,116.0);(1266.755127,188.0);(1268.831421,180.0);(1270.022705,132.0);(1271.839111,236.0);(1281.567383,160.0);(1282.572144,156.0);(1302.154785,136.0);(1308.216064,180.0);(1309.036865,128.0);(1309.591309,124.0);(1318.776001,116.0);(1319.708496,232.0);(1322.623779,176.0);(1337.212402,116.0);(1340.066772,132.0);(1341.480591,240.0);(1351.551636,164.0);(1354.765625,200.0);(1356.568359,148.0);(1369.979248,200.0);(1372.182739,164.0);(1374.343628,212.0);(1380.851562,164.0);(1385.737061,168.0);(1388.227539,160.0);(1394.790405,204.0);(1395.043213,172.0);(1399.521851,188.0);(1400.430298,152.0);(1405.775513,164.0);(1409.47168,240.0);(1410.89917,144.0);(1424.928467,140.0);(1428.634644,56.0);(1446.995605,216.0);(1447.609009,180.0);(1450.798706,196.0);(1457.158203,148.0);(1457.325317,172.0);(1461.514771,140.0);(1461.803833,96.0);(1462.085449,52.0);(1464.118042,140.0);(1465.641479,144.0);(1474.22583,124.0)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(95.394623,0.029323);(95.509354,0.018327);(95.542419,0.023825);(95.719536,0.025658);(95.961143,0.025658);(96.216721,0.023825);(97.08548,0.025658);(98.013847,0.02016);(99.096069,0.023825);(100.719368,0.016494);(101.069221,0.023825);(101.690453,0.023825);(101.708519,0.027491);(102.13047,0.021993);(102.900253,0.021993);(104.933174,0.029323);(105.143272,0.027491);(105.210632,0.025658);(105.292305,0.018327);(106.794609,0.02016);(107.780014,0.025658);(108.055138,0.027491);(108.185379,0.02016);(108.259918,0.021993);(109.676392,0.025658);(109.870773,0.018327);(110.240334,0.018327);(111.702271,0.025658);(112.622955,0.023825);(112.82988,0.016494);(113.123932,0.021993);(114.2061,0.023825);(116.493286,0.023825);(116.753357,0.02016);(117.302696,0.025658);(117.464111,0.014662);(117.707993,0.027491);(118.670853,0.021993);(119.128769,0.012829);(119.281021,0.027491);(119.561447,0.021993);(119.997093,0.025658);(120.594307,0.025658);(121.02832,1.015321);(121.146629,0.029323);(121.552231,0.031156);(121.960716,0.016494);(122.036934,2.344036);(122.174011,0.027491);(122.244423,0.02016);(122.270828,0.023825);(122.863739,0.021993);(123.139473,0.016494);(124.399353,0.016494);(125.023506,3.196247);(125.210922,0.031156);(125.467163,0.029323);(128.652817,0.021993);(129.70665,0.027491);(130.62886,0.023825);(130.781311,0.027491);(131.382889,0.027491);(131.435364,0.016494);(132.057297,3.007477);(132.324463,0.023825);(132.785049,0.031156);(133.065704,14.969577);(133.423401,0.021993);(133.586258,0.031156);(133.975708,0.025658);(134.067673,1.42035);(135.04509,9.258852);(135.616333,0.021993);(135.852844,0.029323);(135.902344,0.027491);(136.231232,0.016494);(136.249817,0.023825);(136.479919,0.025658);(137.406891,0.029323);(137.731369,0.018327);(137.873886,0.02016);(138.271454,0.02016);(138.622726,0.023825);(140.213699,0.014662);(140.458908,0.031156);(140.938141,0.02016);(140.983047,0.023825);(141.236008,0.027491);(141.510529,0.02016);(142.734833,0.021993);(143.201279,0.027491);(143.642227,0.02016);(144.53334,0.029323);(144.633377,0.018327);(144.727219,0.031156);(145.425781,0.027491);(147.462402,0.02016);(147.793701,0.027491);(148.760696,0.014662);(148.884521,0.025658);(149.024033,1.587127);(149.314682,0.023825);(150.031662,8.591745);(150.081512,0.02016);(150.35495,0.031156);(150.406204,0.02016);(150.802536,0.027491);(151.211075,0.027491);(151.533554,0.012829);(151.712463,0.023825);(152.967529,0.021993);(153.01944,33.934462);(153.268188,0.021993);(154.022263,2.838868);(154.104187,0.031156);(154.673416,0.023825);(154.965637,0.021993);(155.309662,0.016494);(155.598068,0.016494);(155.709808,0.023825);(156.107422,0.023825);(156.177063,0.016494);(156.684875,0.02016);(157.32991,0.031156);(157.388214,0.02016);(158.098129,0.021993);(159.709991,0.031156);(160.416382,0.031156);(160.580276,0.018327);(160.903259,0.031156);(160.958817,0.025658);(161.128036,0.023825);(161.264481,0.016494);(161.896973,0.029323);(162.449509,0.027491);(164.482666,0.031156);(165.175125,0.029323);(165.79216,0.014662);(167.549667,0.018327);(168.042313,1.02082);(168.406067,0.023825);(168.648941,0.023825);(168.667038,0.02016);(169.458908,0.031156);(169.991455,0.029323);(170.263031,0.018327);(170.593018,0.027491);(171.707428,0.025658);(172.224197,0.021993);(172.655426,0.029323);(172.720825,0.029323);(174.246506,0.023825);(175.433395,0.025658);(175.678635,0.029323);(176.462997,0.031156);(176.986862,0.031156);(177.325943,0.016494);(178.353104,0.029323);(178.392975,0.02016);(178.555161,0.021993);(178.594299,0.025658);(178.94632,0.014662);(178.998444,4.508467);(179.035065,1.306722);(179.127411,0.016494);(179.275726,0.021993);(179.375229,0.023825);(179.951462,0.014662);(180.122375,0.016494);(181.014389,15.596364);(181.14151,0.014662);(181.499573,0.027491);(183.625076,0.018327);(183.676331,0.018327);(184.28392,0.025658);(184.779953,0.023825);(185.30101,0.018327);(185.374176,0.023825);(185.536804,0.023825);(186.283066,0.018327);(186.826752,0.016494);(186.867554,0.018327);(187.354874,0.021993);(190.124695,0.018327);(191.243271,0.021993);(191.560425,0.02016);(192.042282,0.023825);(192.0616,0.018327);(192.125046,0.025658);(192.566681,0.025658);(192.638504,0.014662);(193.012436,1.073968);(193.454269,0.031156);(194.219055,0.025658);(195.029663,2.556631);(195.121552,0.016494);(195.995483,0.02016);(196.296524,0.021993);(196.349518,0.025658);(197.119995,0.02016);(197.231781,0.027491);(197.394104,0.031156);(197.891983,0.031156);(198.236511,0.023825);(198.825409,0.027491);(199.025818,2.893849);(199.522003,0.027491);(199.733963,0.029323);(200.200104,0.016494);(202.436661,0.014662);(202.459305,0.029323);(203.14238,0.02016);(203.97438,0.025658);(204.213226,0.012829);(204.896393,0.029323);(207.153214,0.029323);(207.173264,0.021993);(207.342102,0.023825);(208.913879,0.010996);(210.490005,0.027491);(210.737839,0.018327);(210.96904,0.031156);(211.075363,1.495492);(211.206146,0.021993);(211.269791,0.018327);(212.135651,0.027491);(212.416931,0.025658);(213.017807,0.023825);(213.197769,0.031156);(213.247345,0.018327);(213.337448,0.023825);(213.741714,0.029323);(214.062607,1.823547);(215.254547,0.018327);(215.666473,0.031156);(216.172424,0.029323);(217.032623,0.027491);(218.693375,0.031156);(219.126251,0.029323);(221.297043,0.031156);(221.623489,0.025658);(223.907196,0.02016);(224.544968,0.029323);(225.200928,0.025658);(225.30014,0.02016);(225.990768,0.027491);(226.92485,0.029323);(227.474213,0.029323);(230.182053,0.031156);(232.044632,0.021993);(233.031815,0.027491);(234.458115,0.018327);(237.45166,0.031156);(237.760971,0.027491);(238.062943,2.664761);(238.144745,0.023825);(238.172379,0.018327);(238.693954,0.025658);(239.071365,8.965618);(239.245895,0.016494);(239.37381,0.031156);(239.573181,0.021993);(239.669739,0.02016);(240.075592,1.405689);(240.66066,0.029323);(241.256927,0.02016);(242.057877,2.697749);(242.191422,0.02016);(242.281265,0.031156);(242.302948,0.02016);(242.391129,0.023825);(242.540863,0.016494);(242.583145,0.025658);(242.891937,0.021993);(242.941574,0.029323);(243.064255,1.154607);(243.58725,0.031156);(244.012985,0.02016);(244.906082,0.031156);(245.100159,0.018327);(246.187881,0.016494);(246.754166,0.031156);(247.419815,0.021993);(248.774078,0.023825);(249.323746,0.027491);(249.782776,0.025658);(251.07074,1.746573);(251.629456,0.021993);(251.878922,0.029323);(252.07843,1.537644);(252.779968,0.02016);(253.086884,7.19522);(253.580643,0.021993);(254.058502,1.163771);(254.093994,3.172421);(254.222961,0.031156);(254.809189,0.021993);(254.918198,0.029323);(254.997101,0.027491);(255.744095,0.025658);(255.96376,0.029323);(256.073792,6.632578);(256.329163,0.025658);(256.51712,0.029323);(256.929474,0.02016);(257.080872,3.923833);(257.226257,0.025658);(257.436981,0.031156);(257.948151,0.014662);(258.152771,0.023825);(258.584656,0.023825);(259.148254,0.023825);(259.664337,0.029323);(259.805481,0.014662);(260.062195,0.014662);(260.136017,0.02016);(260.604889,0.021993);(260.643433,0.025658);(261.151367,0.014662);(262.120392,0.023825);(262.529785,0.023825);(263.333344,0.025658);(264.529694,0.021993);(264.782257,0.021993);(265.534149,0.021993);(266.057861,3.483982);(266.455994,0.031156);(266.865509,0.021993);(267.066254,10.714024);(267.158203,0.016494);(267.252563,0.029323);(267.294861,0.025658);(267.44455,0.02016);(267.854828,0.014662);(268.071869,2.965325);(268.41864,0.025658);(268.721985,0.012829);(269.081451,3.887178);(269.276642,0.023825);(269.324463,0.029323);(269.390198,0.029323);(269.560455,0.027491);(270.052917,4.158419);(270.319763,0.023825);(270.725677,0.031156);(271.056335,1.051976);(271.548248,0.025658);(271.865387,0.021993);(272.237427,0.025658);(274.425568,0.025658);(275.650146,0.029323);(275.831421,0.023825);(276.556305,0.029323);(276.639038,0.029323);(277.185516,0.025658);(277.265045,0.025658);(277.719269,0.018327);(277.919708,0.025658);(278.944489,0.025658);(278.997681,0.02016);(280.073608,2.560296);(280.598999,0.02016);(280.635681,0.027491);(281.082611,26.627447);(281.33963,0.02016);(281.446259,0.016494);(281.538696,0.029323);(282.089874,33.410307);(282.372101,0.025658);(282.467438,0.010996);(282.618195,0.025658);(282.884033,0.031156);(283.062378,2.144271);(283.092285,5.124258);(284.070099,12.623708);(284.167328,0.027491);(284.176727,0.02016);(285.078369,44.280111);(285.289246,0.018327);(285.374969,0.029323);(286.080872,9.059087);(286.324677,0.02016);(286.502289,0.031156);(287.451508,0.031156);(287.655823,0.027491);(288.549255,0.029323);(288.890808,0.02016);(289.185181,0.021993);(289.242737,0.027491);(289.331421,0.027491);(289.743896,0.02016);(289.957367,0.031156);(290.354034,0.027491);(290.737396,0.031156);(291.029297,0.02016);(291.205902,0.021993);(291.953552,0.029323);(292.46048,0.023825);(293.226166,0.029323);(293.53363,0.021993);(293.779175,0.018327);(293.905426,0.031156);(294.053802,1.642108);(294.345734,0.027491);(294.943604,0.012829);(295.061066,1.72458);(295.155548,0.018327);(295.261566,0.029323);(295.326538,0.025658);(295.415466,0.025658);(295.61734,0.014662);(295.928833,0.027491);(296.497437,0.018327);(296.753021,0.025658);(297.077148,18.514039);(297.399445,0.014662);(297.495544,0.023825);(297.734192,0.014662);(297.763367,0.02016);(297.859131,0.031156);(298.04834,1.929844);(298.079865,2.673924);(298.493378,0.025658);(299.093475,34.508101);(300.0961,5.586101);(300.441528,0.027491);(300.527344,0.029323);(300.791901,0.027491);(301.227692,0.027491);(301.25946,0.02016);(301.492035,0.029323);(301.591187,0.023825);(302.299194,0.02016);(302.48703,0.027491);(302.64975,0.016494);(302.684387,0.02016);(302.715546,0.021993);(302.850616,0.02016);(302.95105,0.02016);(302.982239,0.012829);(303.03421,0.023825);(303.28717,0.029323);(303.702789,0.027491);(304.012024,0.023825);(304.216797,0.016494);(304.508453,0.029323);(304.595306,0.031156);(304.619629,0.014662);(304.676208,0.031156);(304.713409,0.023825);(304.762787,0.025658);(304.855865,0.021993);(304.956665,0.012829);(305.304321,0.02016);(305.367157,0.027491);(305.787903,0.023825);(306.223083,0.021993);(306.756195,0.018327);(306.940979,0.029323);(308.672089,0.023825);(309.078125,22.428708);(309.19812,0.025658);(309.238678,0.02016);(309.508972,0.031156);(309.579224,0.023825);(309.835144,0.027491);(310.084015,9.564915);(310.201355,0.025658);(310.405609,0.021993);(310.464447,0.031156);(310.707825,0.02016);(311.057373,15.548713);(311.09137,7.495785);(311.539856,0.014662);(311.593231,0.027491);(311.709808,0.029323);(312.060974,4.281211);(312.096283,1.89319);(312.509857,0.021993);(313.073425,100.0);(313.758331,0.027491);(314.076447,15.986731);(314.352722,0.027491);(314.537201,0.027491);(314.592987,0.029323);(314.651825,0.021993);(314.742889,0.027491);(314.8461,0.029323);(315.002625,0.014662);(315.07782,1.312221);(315.196442,0.027491);(315.218719,0.025658);(315.307129,0.021993);(315.457031,0.025658);(315.567596,0.014662);(316.182343,0.027491);(316.202606,0.029323);(316.591888,0.031156);(316.686279,0.023825);(317.228394,0.014662);(317.499359,0.021993);(317.575897,0.02016);(317.682312,0.021993);(317.778076,0.018327);(317.811737,0.029323);(317.877441,0.031156);(318.097473,0.031156);(318.143616,0.023825);(318.228821,0.021993);(318.37088,0.025658);(318.409943,0.018327);(318.488831,0.025658);(318.573334,0.025658);(318.601746,0.016494);(318.754517,0.021993);(318.93576,0.02016);(318.985535,0.025658);(319.117065,0.016494);(319.344635,0.025658);(319.430023,0.014662);(319.522491,0.029323);(320.09198,0.014662);(320.145386,0.016494);(320.840179,0.021993);(321.046997,0.016494);(321.621399,0.031156);(321.696899,0.023825);(321.871277,0.018327);(322.01413,0.029323);(323.218842,0.021993);(324.222046,0.023825);(324.841797,0.025658);(325.071655,6.766366);(325.268799,0.023825);(325.344177,0.025658);(325.405212,0.027491);(325.484192,0.021993);(325.656586,0.029323);(325.775116,0.023825);(325.832581,0.014662);(325.900848,0.02016);(326.075867,1.231581);(326.339325,0.031156);(326.838806,0.031156);(327.088104,23.473352);(327.45047,0.016494);(327.637085,0.031156);(328.094208,9.579576);(328.398743,0.016494);(328.49292,0.018327);(328.736969,0.025658);(328.85376,0.016494);(328.987915,0.021993);(329.096405,1.60912);(329.218384,0.014662);(329.276154,0.021993);(329.424255,0.012829);(329.520203,0.029323);(329.7883,0.021993);(330.504333,0.021993);(331.124237,0.02016);(331.519104,0.016494);(331.664093,0.021993);(331.696716,0.021993);(331.722076,0.031156);(331.950073,0.016494);(332.1427,0.025658);(332.266052,0.021993);(332.570862,0.02016);(332.708801,0.025658);(332.737823,0.023825);(333.271729,0.021993);(333.566101,0.014662);(333.707886,0.025658);(334.471802,0.02016);(335.859192,0.031156);(336.951538,0.014662);(337.009979,0.029323);(337.54364,0.023825);(337.945984,0.027491);(340.8573,0.031156);(340.974884,0.02016);(341.114563,0.018327);(342.619629,0.016494);(342.693329,0.031156);(343.11972,18.988711);(343.415833,0.023825);(343.554932,0.031156);(343.592224,0.02016);(343.730347,0.031156);(343.939789,0.029323);(344.122284,2.417345);(344.205597,0.027491);(344.264679,0.014662);(344.314728,0.027491);(344.37915,0.018327);(344.594147,0.018327);(344.874237,0.018327);(344.903809,0.023825);(345.055389,0.021993);(345.24765,0.02016);(345.382935,0.02016);(345.454773,0.02016);(345.49176,0.023825);(345.643463,0.029323);(345.702667,0.014662);(346.357971,0.027491);(346.528137,0.029323);(346.606171,0.025658);(346.769226,0.025658);(347.139954,0.025658);(347.236389,0.014662);(347.440399,0.021993);(348.086182,0.023825);(348.379608,0.018327);(348.762329,0.021993);(349.145264,0.021993);(349.822449,0.02016);(352.291077,0.023825);(352.571289,0.027491);(353.33783,0.014662);(353.577301,0.029323);(355.43222,0.021993);(355.492249,0.023825);(356.303284,0.018327);(360.580017,0.029323);(361.533051,0.027491);(363.921082,0.027491);(364.536407,0.025658);(365.943756,0.016494);(366.41983,0.031156);(369.328644,0.014662);(370.3927,0.018327);(371.565735,0.02016);(371.799805,0.027491);(371.922607,0.027491);(372.433289,0.029323);(373.86731,0.016494);(375.928986,0.021993);(376.423096,0.031156);(376.708893,0.023825);(378.693176,0.021993);(380.1586,0.02016);(380.476868,0.025658);(381.055542,0.029323);(382.463257,0.021993);(382.942139,0.02016);(384.474304,0.02016);(387.324493,0.029323);(387.798584,0.027491);(389.552521,0.025658);(395.067444,0.02016);(395.609589,0.016494);(399.988007,0.031156);(400.195007,0.031156);(400.485718,0.02016);(401.486053,0.025658);(402.268066,0.016494);(402.667358,0.031156);(404.522583,0.031156);(404.758789,0.025658);(407.976471,0.031156);(409.332367,0.014662);(413.023499,0.023825);(414.251556,0.023825);(416.563721,0.02016);(420.607178,0.029323);(421.456604,0.025658);(422.282349,0.023825);(423.596222,0.031156);(424.432281,0.031156);(425.306091,0.027491);(425.43335,0.021993);(425.835724,0.016494);(427.480133,0.014662);(429.428741,0.023825);(430.144562,0.027491);(430.270538,0.023825);(431.667053,0.027491);(438.721161,0.027491);(439.402313,0.027491);(439.563629,0.027491);(441.196686,0.031156);(444.13208,0.029323);(445.088898,0.027491);(445.84082,0.023825);(446.013123,0.02016);(448.624512,0.014662);(448.766296,0.02016);(453.199951,0.027491);(454.319214,0.027491);(454.429504,0.016494);(454.634613,0.029323);(454.947266,0.02016);(459.842255,0.012829);(462.08136,0.027491);(462.830353,0.025658);(464.381653,0.012829);(467.974091,0.02016);(468.042999,0.023825);(468.348755,0.025658);(468.977814,0.021993);(473.670258,0.031156);(473.831329,0.029323);(474.497955,0.029323);(474.81015,0.027491);(475.421814,0.018327);(475.890625,0.029323);(476.82019,0.021993);(477.424469,0.031156);(479.849792,0.029323);(481.944763,0.023825);(486.486328,0.021993);(488.498932,0.025658);(489.05777,0.023825);(493.38504,0.025658);(493.548645,0.018327);(495.482727,0.023825);(496.550995,0.025658);(496.874786,0.018327);(500.292267,0.02016);(503.323975,0.02016);(509.518158,0.029323);(509.639465,0.023825);(510.610443,0.023825);(518.542786,0.02016);(519.449646,0.027491);(520.221069,0.021993);(524.788635,0.029323);(525.979309,0.016494);(526.741821,0.021993);(528.620911,0.02016);(529.417419,0.031156);(531.305786,0.027491);(532.072205,0.018327);(532.604858,0.031156);(535.267639,0.029323);(535.907837,0.025658);(538.976135,0.031156);(541.075928,0.027491);(541.793762,0.031156);(543.769043,0.018327);(545.115784,0.02016);(545.743286,0.025658);(549.207947,0.016494);(549.604492,0.02016);(549.697815,0.027491);(551.757568,0.027491);(552.697632,0.031156);(557.395935,0.031156);(558.444275,0.021993);(559.573608,0.018327);(561.821594,0.023825);(563.081848,0.031156);(564.1828,0.031156);(566.364197,0.027491);(567.88092,0.025658);(569.000793,0.027491);(569.394897,0.023825);(571.35321,0.016494);(571.576843,0.025658);(575.872009,0.027491);(576.383179,0.029323);(577.014099,0.021993);(577.79364,0.025658);(579.258484,0.021993);(580.72998,0.023825);(581.315247,0.025658);(582.299377,0.023825);(588.849304,0.031156);(590.531189,0.02016);(591.140747,0.029323);(592.104126,0.025658);(594.892029,0.025658);(595.576721,0.023825);(597.491943,0.02016);(600.746155,0.029323);(601.702637,0.027491);(602.552368,0.031156);(605.643982,0.029323);(605.741943,0.025658);(605.99176,0.027491);(607.001465,0.025658);(608.252502,0.014662);(610.153564,0.025658);(610.276489,0.027491);(612.367859,0.021993);(615.849915,0.031156);(622.793945,0.02016);(624.901672,0.021993);(625.309692,0.018327);(625.424194,0.018327);(630.626343,0.021993);(630.986206,0.025658);(633.753906,0.031156);(634.646057,0.016494);(635.338196,0.021993);(635.533813,0.027491);(636.090881,0.029323);(636.437317,0.02016);(637.934387,0.018327);(644.379944,0.018327);(645.754883,0.018327);(647.738953,0.027491);(648.676392,0.027491);(650.121887,0.029323);(650.964539,0.021993);(651.899231,0.016494);(653.00238,0.023825);(653.088867,0.025658);(654.335571,0.029323);(655.277771,0.02016);(655.629333,0.018327);(662.240234,0.014662);(665.296326,0.016494);(666.071716,0.014662);(667.202209,0.021993);(676.016907,0.014662);(679.488403,0.023825);(681.949707,0.027491);(683.109253,0.023825);(683.192444,0.018327);(689.349976,0.025658);(692.216492,0.027491);(700.461975,0.025658);(701.884949,0.031156);(710.245972,0.029323);(711.052429,0.031156);(715.799561,0.025658);(716.294861,0.021993);(717.973755,0.016494);(720.81366,0.027491);(722.508484,0.021993);(724.917847,0.023825);(735.421021,0.021993);(736.4198,0.023825);(738.170776,0.023825);(740.151184,0.023825);(740.714417,0.031156);(742.817566,0.027491);(745.276855,0.023825);(753.831604,0.023825);(763.892151,0.02016);(768.856384,0.018327);(769.861084,0.027491);(770.413452,0.025658);(770.772522,0.023825);(772.187744,0.025658);(773.083923,0.031156);(774.523376,0.018327);(775.498535,0.018327);(776.413269,0.018327);(779.316406,0.027491);(780.289001,0.025658);(781.712891,0.014662);(788.041382,0.021993);(791.682739,0.023825);(801.552429,0.029323);(802.73053,0.031156);(809.205627,0.031156);(813.51416,0.023825);(814.564697,0.021993);(815.956909,0.02016);(817.617859,0.027491);(819.052551,0.023825);(827.441223,0.021993);(833.984131,0.023825);(836.171875,0.018327);(850.784119,0.014662);(852.822937,0.016494);(856.115784,0.029323);(858.889954,0.023825);(862.100952,0.016494);(867.895935,0.021993);(873.039734,0.023825);(874.363403,0.025658);(875.741028,0.027491);(883.680603,0.02016);(894.65979,0.023825);(898.455811,0.023825);(899.589661,0.018327);(909.112,0.014662);(909.256042,0.025658);(909.304016,0.02016);(913.846863,0.027491);(925.852783,0.021993);(925.95575,0.02016);(933.316528,0.023825);(937.486145,0.021993);(940.260864,0.025658);(943.773254,0.021993);(959.459717,0.018327);(961.205139,0.021993);(964.676025,0.023825);(965.807556,0.025658);(968.784912,0.025658);(970.743469,0.02016);(974.852844,0.02016);(975.474304,0.021993);(976.612183,0.031156);(976.711731,0.018327);(981.195251,0.021993);(981.731445,0.029323);(992.28595,0.023825);(1003.004028,0.027491);(1010.79718,0.023825);(1011.765503,0.023825);(1012.607666,0.025658);(1012.86731,0.023825);(1015.675293,0.029323);(1017.572632,0.029323);(1023.651123,0.025658);(1036.797729,0.021993);(1038.374878,0.014662);(1051.118408,0.018327);(1060.417725,0.031156);(1061.104858,0.018327);(1062.278564,0.027491);(1062.492676,0.021993);(1062.881958,0.02016);(1065.953247,0.023825);(1086.926758,0.02016);(1095.703979,0.018327);(1101.859253,0.02016);(1102.804077,0.021993);(1104.423218,0.029323);(1105.813354,0.014662);(1110.311768,0.023825);(1135.199341,0.027491);(1135.675537,0.029323);(1149.716309,0.027491);(1156.605713,0.014662);(1176.253906,0.021993);(1189.430298,0.02016);(1193.614136,0.031156);(1195.677856,0.025658);(1196.200928,0.031156);(1200.658569,0.031156);(1206.043701,0.02016);(1206.430786,0.014662);(1217.912598,0.031156);(1225.718018,0.014662);(1232.765747,0.021993);(1235.058838,0.025658);(1240.821899,0.02016);(1248.376831,0.027491);(1254.424561,0.027491);(1258.473999,0.023825);(1261.554199,0.018327);(1262.415527,0.010996);(1267.307739,0.02016);(1270.739258,0.025658);(1274.38855,0.027491);(1274.942749,0.031156);(1275.646362,0.023825);(1293.722534,0.016494);(1302.865845,0.018327);(1305.259155,0.02016);(1306.2948,0.031156);(1317.179077,0.014662);(1327.927368,0.016494);(1330.81543,0.025658);(1335.247925,0.016494);(1335.677124,0.023825);(1336.215332,0.027491);(1341.210815,0.025658);(1346.646362,0.023825);(1348.290161,0.025658);(1353.40332,0.021993);(1359.362427,0.021993);(1362.982422,0.031156);(1369.036255,0.025658);(1374.970703,0.016494);(1375.782593,0.025658);(1377.399658,0.023825);(1386.033203,0.031156);(1391.618164,0.02016);(1395.622803,0.029323);(1398.955688,0.031156);(1408.067017,0.025658);(1411.691406,0.02016);(1429.589844,0.021993);(1431.644897,0.016494);(1437.117188,0.031156);(1438.015137,0.029323);(1447.358643,0.025658);(1451.328857,0.031156);(1455.904541,0.027491);(1459.498657,0.016494);(1460.297119,0.023825);(1460.532837,0.016494);(1462.244751,0.027491);(1463.96521,0.018327);(1467.691284,0.018327);(1469.704956,0.027491);(1475.807495,0.023825);(1477.115234,0.016494);(1479.939087,0.029323);(1499.249878,0.031156);(1503.892578,0.02016)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(69.998001,0.04697);(70.338165,0.023892);(70.446571,0.082266);(73.629814,0.019277);(73.790123,0.054844);(75.085594,0.035296);(75.969528,0.074121);(77.002655,0.069505);(77.902008,0.045613);(78.330856,0.037468);(78.580658,0.031766);(80.120964,0.044798);(80.936531,0.01982);(81.02964,0.060546);(81.293732,0.07032);(81.583519,0.035567);(82.006126,0.045884);(82.03511,0.050771);(82.169456,0.070591);(83.049919,0.06679);(83.50309,0.076293);(85.02726,0.079551);(86.428253,0.054301);(86.837616,0.081723);(87.759293,0.028508);(87.875671,0.058916);(89.035751,0.122177);(90.942337,0.041269);(91.023178,0.068148);(91.583656,0.023621);(91.975967,0.073578);(92.026855,0.217475);(92.459023,0.049685);(92.710304,0.014118);(92.993111,0.051857);(93.034035,0.044527);(93.622849,0.036925);(94.039246,0.73089);(94.061676,0.036653);(94.994873,0.096656);(95.010826,0.074664);(95.046333,0.155029);(96.023949,0.081994);(96.992386,0.09557);(97.029251,0.104801);(97.199974,0.054572);(98.723656,0.061089);(98.975533,0.067062);(99.613739,0.099371);(100.52597,0.03421);(101.091888,0.055115);(101.205231,0.018734);(102.120789,0.071406);(103.05542,0.241368);(103.778053,0.026607);(104.024551,0.09747);(104.955704,0.070591);(105.044403,0.123535);(105.063744,0.035024);(106.03125,0.031223);(107.012833,0.368432);(107.048149,0.04697);(107.723038,0.060817);(108.016701,0.088239);(108.144966,0.055387);(109.014397,0.058916);(109.892746,0.048328);(109.922607,0.025521);(110.00087,0.055115);(111.008949,0.055387);(111.236244,0.039368);(112.009232,0.04697);(112.343956,0.069234);(113.02282,0.113217);(114.710106,0.067333);(114.939606,0.076293);(115.076042,0.045884);(116.058472,0.043984);(116.765312,0.060002);(117.031723,0.27612);(117.881912,0.050771);(118.039925,0.297569);(119.052055,0.021449);(120.019661,0.367074);(120.052605,0.062446);(120.918236,0.046156);(120.990585,0.040183);(121.029457,0.569345);(121.993988,0.033667);(122.035355,2.077553);(122.192955,0.025521);(122.837608,0.072492);(123.007477,0.528891);(123.037842,0.174034);(123.54406,0.056744);(123.978836,0.033667);(124.009254,0.078465);(124.048073,0.017105);(124.715126,0.0524);(124.784042,0.082537);(125.021996,3.582231);(125.057266,0.074392);(125.379433,0.055658);(126.025505,0.076021);(127.103584,0.020906);(128.064072,0.058373);(129.011429,0.054844);(129.042587,0.033938);(130.040115,0.069777);(131.048645,0.094755);(132.056259,2.566261);(132.730194,0.035839);(132.801147,0.068962);(132.998932,0.036653);(133.025925,0.161545);(133.063583,9.630265);(133.101791,0.031495);(133.150253,0.025521);(134.039459,0.040726);(134.067184,0.508256);(134.767822,0.030137);(135.043259,6.729511);(135.119308,0.060002);(135.151733,0.028508);(135.191818,0.065161);(135.728806,0.032581);(136.014557,0.31576);(136.044556,0.270147);(137.022354,0.17322);(137.052643,0.030952);(137.088867,0.0505);(137.730759,0.029865);(138.027817,0.049685);(138.819168,0.067876);(139.002411,0.109145);(139.055252,0.06136);(139.56398,0.03611);(140.003769,0.0505);(140.241074,0.040183);(140.359604,0.054844);(142.015305,0.025793);(143.076447,0.056744);(144.351135,0.06489);(145.020752,0.022535);(145.062393,0.120005);(146.041306,0.045613);(146.076996,0.074392);(147.048843,0.051586);(147.32196,0.052129);(147.910767,0.047513);(148.014008,0.454227);(148.705948,0.033124);(148.976852,0.051857);(149.024109,1.006467);(149.429779,0.079551);(150.03064,3.741604);(150.996857,0.077379);(151.033951,0.613329);(151.665237,0.024978);(151.921127,0.038554);(152.009674,0.221276);(152.061035,0.032852);(152.500977,0.034753);(152.570755,0.041812);(152.702576,0.046156);(152.805298,0.049685);(152.942459,0.024707);(153.017441,32.888156);(153.067841,0.226706);(153.168243,0.021449);(153.230469,0.076293);(153.278839,0.026336);(153.463181,0.014118);(153.503632,0.034481);(153.561035,0.029322);(153.683594,0.031223);(153.782669,0.062446);(153.878204,0.044798);(154.020996,1.768309);(154.076111,0.06489);(154.498444,0.054572);(154.808655,0.01982);(154.870422,0.018462);(154.887894,0.029322);(155.021637,0.079279);(155.057617,0.078736);(155.08783,0.114303);(155.168518,0.026879);(155.335648,0.059459);(155.397461,0.035839);(155.876831,0.017376);(155.912231,0.043984);(157.672424,0.042083);(159.045319,0.949723);(159.86261,0.061632);(160.027969,0.06679);(160.044052,0.138739);(160.307495,0.038282);(161.056442,0.182451);(161.08783,0.068962);(162.027832,0.031495);(163.038406,0.041812);(164.002975,0.0505);(164.059311,0.075207);(164.153656,0.033667);(165.015915,0.083352);(165.925705,0.027693);(166.026245,0.325534);(167.03363,0.355128);(167.083893,0.165889);(167.695267,0.077107);(168.041275,2.231224);(168.282669,0.068419);(168.927429,0.048328);(169.010956,0.092855);(169.044662,0.121906);(169.061447,0.110231);(169.569748,0.032309);(170.023483,0.038554);(170.055038,0.089325);(170.336975,0.060274);(170.7146,0.075478);(171.028015,4.380725);(171.078598,0.051043);(171.318314,0.024707);(172.032654,0.190053);(172.082397,0.033395);(172.155792,0.033938);(172.994614,0.07575);(173.041077,0.139282);(173.08577,0.058645);(174.026291,0.146884);(174.05687,0.104258);(175.017639,0.067876);(175.038208,0.213946);(177.016357,0.252228);(177.052887,0.237023);(177.203384,0.053215);(177.750793,0.080637);(178.02597,0.408343);(178.996094,2.699298);(179.03273,1.081945);(179.085999,0.036382);(179.165451,0.068419);(179.999435,0.293225);(180.025055,0.035839);(180.061295,0.043169);(180.248108,0.044255);(180.4767,0.026336);(180.80542,0.021449);(180.975754,0.377391);(181.012741,8.316455);(181.064819,0.358657);(181.621536,0.026064);(181.942383,0.027422);(181.961761,0.054572);(182.01535,0.691522);(182.069992,0.141182);(182.568649,0.028779);(182.829575,0.042355);(183.0168,0.11376);(183.037186,0.112674);(183.080505,0.436036);(183.184845,0.021449);(183.524277,0.021177);(184.036163,0.192497);(184.084747,0.125164);(185.059265,0.167518);(185.10025,0.049957);(186.067688,0.166161);(187.03952,0.078465);(187.074417,0.092312);(188.050369,0.036925);(188.618774,0.021177);(188.994476,0.121906);(191.062347,0.015476);(191.449936,0.053758);(192.036697,0.046156);(193.012741,0.756412);(193.065414,0.297026);(193.714996,0.072492);(194.013229,0.11376);(194.07045,0.206886);(194.775436,0.023621);(195.000381,0.332593);(195.028244,1.884241);(195.083954,0.191139);(196.042374,0.213674);(196.086227,0.148241);(196.293808,0.099642);(196.66217,0.02525);(196.782288,0.047785);(197.007401,1.251907);(197.055466,0.409429);(197.098267,0.256843);(198.015366,0.129779);(198.065033,0.271505);(198.478149,0.019277);(199.022964,5.842777);(199.071487,0.159102);(199.628433,0.023349);(200.023422,0.327977);(200.082184,0.046427);(200.744888,0.040997);(201.027206,0.028779);(201.054672,0.468888);(201.600937,0.030137);(201.691132,0.020091);(203.030167,0.028779);(204.910202,0.044255);(206.266495,0.040454);(207.07782,0.035839);(207.222107,0.022535);(208.082977,0.043712);(209.057663,0.497939);(210.065979,0.750438);(211.021378,0.294582);(211.07724,1.342861);(211.993393,0.073306);(212.022873,0.044527);(212.075851,0.217204);(213.054352,0.034753);(213.084335,0.04154);(214.062073,1.539974);(214.368546,0.074664);(215.065948,0.352141);(217.084457,0.035024);(218.871643,0.050228);(218.937027,0.05783);(220.065353,0.042083);(221.054169,0.128693);(221.271637,0.032852);(222.060089,0.043984);(222.95787,0.021449);(223.004959,0.036653);(223.51268,0.021177);(223.686996,0.01439);(224.04129,0.22562);(224.079514,0.290781);(224.167099,0.015204);(224.586868,0.021992);(225.052719,0.63695);(225.089203,0.358114);(226.061417,0.51423);(226.09726,0.1029);(226.234619,0.019005);(227.06517,0.115118);(227.106079,0.094212);(227.528748,0.026064);(228.042603,0.141454);(228.079895,0.028779);(228.591537,0.016562);(229.025772,0.049957);(229.090363,0.372776);(229.313675,0.028236);(231.145508,0.024707);(232.575439,0.054029);(234.198227,0.054844);(235.07132,0.147698);(235.992538,0.087696);(236.045029,0.085795);(236.077744,0.039368);(236.249695,0.066247);(236.503799,0.042898);(237.007126,0.035839);(237.052582,0.497939);(237.094498,0.076836);(238.004776,0.035567);(238.062439,1.960806);(238.520355,0.040726);(238.983505,0.089868);(239.069611,5.027449);(240.040436,0.120005);(240.073853,0.868);(240.613358,0.017105);(240.652664,0.039911);(240.84288,0.035839);(241.009186,0.028508);(241.04718,0.290238);(241.079834,0.060546);(241.170502,0.021992);(241.274872,0.019548);(241.708603,0.074664);(242.055206,1.970037);(243.062531,0.533778);(244.065903,0.077107);(245.054642,0.071134);(245.571869,0.072492);(245.674393,0.03068);(246.051056,0.040997);(247.758209,0.013032);(248.048431,0.04507);(248.156418,0.073306);(248.542084,0.087424);(249.053696,0.069505);(249.972824,0.017648);(250.053345,0.147155);(251.068756,0.777317);(251.579544,0.042355);(252.038239,0.062446);(252.077362,1.813107);(253.006149,0.033667);(253.051224,0.446625);(253.08522,4.880022);(253.649292,0.062989);(253.750427,0.01982);(253.943604,0.082266);(253.990402,0.118647);(254.056595,1.256251);(254.093597,1.676812);(254.188461,0.028236);(254.496246,0.049957);(254.691864,0.08118);(255.0625,0.674689);(255.091248,0.231593);(255.926437,0.032309);(256.072449,4.86699);(256.753204,0.051043);(256.821136,0.049414);(256.875366,0.013304);(257.078918,1.558979);(257.523956,0.014661);(258.031433,0.040726);(258.081177,0.32662);(259.276215,0.076021);(259.44455,0.046427);(261.459991,0.015476);(261.745148,0.067062);(262.439575,0.023078);(263.064148,0.047513);(263.784058,0.042083);(264.048309,0.147698);(264.081848,0.34291);(265.0495,0.136295);(265.088135,0.329063);(265.90744,0.055387);(266.054565,2.040628);(266.537201,0.03611);(267.06369,6.566608);(268.036407,0.879403);(268.070343,2.552142);(268.437317,0.038554);(268.864532,0.037468);(268.949005,0.043984);(269.043213,0.455313);(269.081024,1.876096);(269.867432,0.079279);(270.051666,3.388376);(270.121368,0.112131);(270.51413,0.015747);(270.805176,0.016562);(271.059479,0.509885);(271.107361,0.050771);(272.001007,0.055387);(272.340851,0.053215);(272.39566,0.048871);(272.713745,0.049414);(273.796783,0.057016);(274.051025,0.056473);(277.044342,0.058645);(277.969421,0.052672);(278.047546,0.03611);(278.426941,0.058102);(279.062988,0.747452);(279.748962,0.024707);(279.972198,0.078193);(280.071869,1.669481);(280.313141,0.024707);(280.777374,0.053758);(280.952393,0.106973);(280.986633,0.036653);(281.080292,12.590479);(281.2164,0.104258);(281.254791,0.038011);(281.4617,0.087967);(281.591431,0.049142);(281.662415,0.049957);(281.736145,0.013847);(281.770905,0.070048);(281.990204,0.10833);(282.019165,0.110502);(282.087769,26.285167);(282.28241,0.013304);(282.412476,0.035839);(282.610931,0.082809);(282.80072,0.027693);(283.006012,0.048328);(283.058197,1.595361);(283.091736,2.926276);(283.224213,0.056201);(283.405182,0.070591);(283.717987,0.054029);(283.841278,0.023892);(284.068115,6.919564);(284.290436,0.102357);(284.533539,0.080637);(284.921509,0.026607);(284.94754,0.030409);(285.074799,28.735223);(285.190369,0.042355);(285.408569,0.021449);(285.503021,0.040454);(285.609283,0.029865);(285.693604,0.097199);(285.845184,0.023349);(285.95636,0.01982);(286.00354,0.058373);(286.032745,0.090954);(286.078705,3.197509);(286.150238,0.037196);(286.26236,0.038554);(286.291504,0.02715);(286.319092,0.031223);(286.727966,0.016562);(286.887512,0.028508);(287.078735,0.264717);(287.233673,0.023892);(287.47583,0.021177);(287.661865,0.057287);(287.857391,0.049685);(288.185089,0.022806);(288.468658,0.038282);(289.826782,0.017919);(289.86972,0.094755);(290.639404,0.045884);(291.238068,0.027693);(291.544708,0.080094);(292.075684,0.040997);(292.733002,0.0524);(293.08139,0.089596);(293.36496,0.033938);(294.052277,1.128101);(294.330048,0.063804);(294.656433,0.017105);(294.863098,0.03068);(295.057098,0.949994);(295.423676,0.018462);(295.490051,0.037468);(295.575806,0.013032);(295.771179,0.06679);(295.821472,0.018191);(296.030579,0.598667);(296.068085,0.374676);(296.708527,0.025521);(296.912811,0.014933);(296.946289,0.096384);(297.009735,0.138739);(297.073486,7.27605);(297.902161,0.017648);(298.045868,1.200593);(298.078613,1.192719);(298.330383,0.054572);(299.090607,19.440809);(299.156952,0.077922);(299.466644,0.013847);(299.609894,0.068148);(299.963379,0.08851);(299.994171,0.048599);(300.029114,0.086067);(300.093781,3.08945);(300.436157,0.017648);(300.553162,0.029322);(300.579346,0.035839);(300.9216,0.099914);(301.061188,0.040183);(301.096741,0.14254);(301.229309,0.014118);(301.956482,0.047242);(302.213959,0.018462);(302.383301,0.013847);(303.949219,0.026607);(304.045288,0.058102);(304.100494,0.059731);(305.346008,0.029594);(305.475494,0.017105);(306.213562,0.0524);(306.494568,0.081451);(306.916382,0.055387);(306.954529,0.074121);(307.059204,0.259287);(307.314453,0.031495);(307.586334,0.032581);(307.661346,0.033395);(308.111115,0.022806);(308.92395,0.040454);(308.995697,0.065976);(309.075104,11.5422);(309.415588,0.022806);(309.777924,0.019548);(310.083069,9.871904);(310.313202,0.096113);(310.544952,0.020363);(310.823669,0.098013);(310.94281,0.041269);(310.986023,0.08118);(311.054749,6.604619);(311.089203,6.264695);(311.52417,0.015476);(311.605957,0.014933);(311.694519,0.03611);(311.827881,0.073035);(312.060242,2.193756);(312.094727,1.283945);(312.23114,0.080094);(312.318085,0.041269);(312.628174,0.145798);(312.694794,0.100457);(312.767151,0.01629);(312.812195,0.018462);(312.918579,0.235666);(312.954193,0.289695);(313.069763,64.624591);(313.235199,0.028508);(313.272064,0.024164);(313.310425,0.052943);(313.35733,0.082809);(313.467957,0.015476);(313.586761,0.043712);(313.621521,0.086338);(313.678131,0.057559);(313.799866,0.02525);(313.885468,0.027422);(313.957886,0.120277);(314.000671,0.162631);(314.073517,9.231697);(314.138,0.058645);(314.293701,0.01629);(314.35733,0.016833);(314.419037,0.018191);(314.496277,0.058373);(314.752594,0.024978);(315.045013,0.042083);(315.077087,0.205257);(315.615021,0.073306);(316.031128,0.024435);(316.066864,0.061903);(316.130646,0.026064);(316.206696,0.033395);(316.229095,0.038282);(316.277618,0.020634);(316.321838,0.053215);(316.404724,0.033667);(316.954468,0.015476);(317.217834,0.033124);(317.2724,0.085252);(319.645874,0.027693);(320.921448,0.036382);(321.050537,0.04697);(322.71051,0.014661);(322.915527,0.111317);(324.17395,0.037739);(324.613983,0.040997);(324.950714,0.042626);(325.019958,0.099642);(325.067963,3.1147);(325.242004,0.023892);(325.482178,0.021177);(325.801147,0.049142);(326.071899,0.541108);(326.24057,0.019548);(326.290131,0.029594);(326.764313,0.04154);(326.953644,0.0505);(326.983154,0.055387);(327.085815,16.341314);(327.169861,0.014933);(327.307495,0.069777);(327.467865,0.042626);(328.09317,17.210943);(328.17688,0.031495);(328.226501,0.033938);(328.331604,0.0524);(328.607849,0.029594);(328.737701,0.052672);(328.981201,0.057559);(329.097656,1.724325);(330.098267,0.096384);(330.529572,0.015204);(333.254913,0.026879);(334.250946,0.069777);(334.2948,0.022806);(334.941101,0.017648);(337.593933,0.017105);(337.832642,0.071406);(338.034302,0.05593);(339.759094,0.014933);(340.250641,0.036653);(340.552399,0.019548);(341.569031,0.047785);(341.737732,0.033667);(341.881134,0.057016);(342.021423,0.049685);(342.079041,0.094212);(342.253418,0.031495);(342.303131,0.01982);(342.485962,0.051857);(342.555481,0.132766);(342.675751,0.082809);(342.714325,0.025793);(342.915314,0.213946);(342.952362,0.143083);(342.994385,0.288066);(343.117035,100.0);(343.197479,0.03611);(343.232086,0.029051);(343.288971,0.038554);(343.341156,0.05593);(343.364044,0.057559);(343.475555,0.121091);(343.514526,0.056473);(343.607361,0.045341);(343.678223,0.035296);(343.968536,0.047242);(344.04776,0.139553);(344.121338,12.759626);(344.21582,0.042355);(344.252136,0.017105);(344.460022,0.061632);(344.590515,0.023078);(344.716766,0.021449);(345.109894,0.104529);(345.292023,0.024707);(345.411621,0.021177);(345.545685,0.023349);(345.581604,0.02172);(345.86087,0.020363);(345.927551,0.018462);(345.992767,0.027693);(346.177582,0.071134);(346.489838,0.034753);(346.538818,0.022535);(346.691437,0.02715);(347.329803,0.026879);(349.466125,0.016833);(356.590576,0.017105);(357.316711,0.033124);(358.859772,0.040454);(361.427063,0.015476);(362.033478,0.018734);(368.828796,0.020363);(454.909424,0.027965);(537.131836,0.042898);(709.305176,0.020906);(715.938599,0.020363);(739.709717,0.015204);(849.947327,0.027965);(924.618225,0.044527);(1339.520996,0.028779);(1608.711182,0.073306);(1728.416382,0.02715);(1794.360107,0.015476)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(27.0234751,0.0001831671);(51.0234751,0.0025344621);(53.03912516,0.0005180656);(57.03403978,0.1053424947);(77.03912516,0.0001163537);(81.03403978,0.0006860427);(83.04968984,0.0233558503);(103.0547752,0.0010199102);(105.0340398,0.0004674698);(107.0496898,0.0002954583);(133.0653399,0.1992357042);(153.0551691,0.0001893838);(181.0500838,0.0039324326);(211.0606485,0.6926584631);(227.0708192,0.0006067222);(229.0500838,0.0001628152);(231.0657338,0.0000706731);(237.0762985,0.0004348819);(257.0813839,0.0251687859);(261.0762985,0.0368546116);(283.097034,0.0221337054);(285.0762985,0.0763627825);(287.0919486,0.1213190284);(297.0762985,0.0304105989);(299.0919486,0.0001856473);(301.0712131,0.0007008446);(301.0712131,0.0003504223);(313.1075986,3.346986653);(315.0868632,0.4633049657);(317.1025133,0.3113398821);(343.1181633,94.53307172)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(27.0234751,0.0111965951);(51.0234751,0.0731892785);(53.03912516,0.0076024134);(57.03403978,0.127317122);(77.03912516,0.0027002778);(81.03403978,0.0158441821);(83.04968984,0.2938579485);(103.0547752,0.0051329363);(105.0340398,0.0031693885);(133.0653399,0.4336128654);(181.0500838,0.0222233124);(201.0551691,0.002055849);(211.0606485,1.223587822);(227.0708192,0.0068355339);(229.0500838,0.0043461453);(231.0657338,0.0018986733);(237.0762985,0.0048135619);(239.0708192,0.0016657637);(257.0813839,0.3620490161);(261.0762985,0.6965722737);(283.097034,0.1941149545);(285.0762985,0.3643527361);(287.0919486,1.166814851);(297.0762985,0.1288630883);(299.0919486,0.002943533);(301.0712131,0.0044018847);(301.0712131,0.0022009423);(313.1075986,5.611553064);(315.0868632,1.36857543);(317.1025133,0.7202377503);(343.1181633,87.13627081)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(27.0234751,0.2467386838);(51.0234751,2.809787888);(53.03912516,0.3766763541);(57.03403978,1.270247657);(77.03912516,1.499989596);(81.03403978,0.9931495262);(103.0547752,3.274914969);(105.0340398,0.7551605164);(107.0496898,1.100131614);(125.023869,1.365829132);(133.0653399,6.69108222);(153.0551691,0.4165420189);(181.0500838,7.747855987);(201.0551691,0.569223386);(211.0606485,11.91322172);(227.0708192,3.255192007);(229.0500838,0.5248739416);(231.0657338,0.478503565);(237.0762985,0.6641326541);(239.0708192,0.3080939998);(257.0813839,5.393143566);(261.0762985,1.234434166);(283.097034,6.266267097);(285.0762985,7.289420716);(287.0919486,5.600927845);(297.0762985,4.109678355);(301.0712131,0.4656451775);(313.1075986,16.91274463);(315.0868632,1.219747255);(317.1025133,1.40598215);(343.1181633,3.840661601)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(25.00782503,0.0008111019);(29.00273965,0.0091841912);(31.01838972,0.0028564546);(51.0234751,0.0000532715);(55.01838972,0.2685502537);(79.01838972,0.0002066467);(81.03403978,0.007769735);(85.0289544,0.0009466159);(101.0391252,0.0017773897);(103.0183897,0.0001315899);(105.0340398,0.0004595267);(123.008219,0.0002854192);(131.0496898,0.2649275153);(175.0395191,0.000164386);(179.0344337,0.002061469);(209.0449984,0.6358123749);(225.0551691,0.0017050176);(227.0344337,0.0001719242);(229.0500838,0.0014965287);(237.0551691,0.0000329001);(255.0657338,0.1121508776);(259.0606485,0.0133334079);(281.0813839,0.0777232292);(283.0606485,0.0433091057);(285.0762985,0.025844343);(295.0606485,0.0253105546);(299.0555631,0.0085298382);(311.0919486,2.20162874);(313.0712131,0.3494798247);(315.0868632,1.13039669);(341.1025133,94.81288908)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(29.00273965,0.0885321466);(31.01838972,0.0418229306);(51.0234751,0.0030719574);(55.01838972,0.1475536302);(75.0234751,0.0015406663);(79.01838972,0.002615472);(81.03403978,0.1728819188);(85.0289544,0.0808486863);(101.0391252,0.011847015);(103.0183897,0.0049000825);(105.0340398,0.0052409966);(123.008219,0.0065045319);(131.0496898,0.6358363207);(175.0395191,0.0034477435);(179.0344337,0.0458588153);(199.0395191,0.0023016412);(209.0449984,1.540032468);(225.0551691,0.1058470469);(227.0344337,0.0393844412);(229.0500838,0.0466005109);(255.0657338,1.004820121);(259.0606485,0.1816945027);(281.0813839,1.780717816);(283.0606485,0.3950238912);(285.0762985,0.4711230985);(295.0606485,0.696101583);(299.0555631,0.2770239481);(311.0919486,10.57454902);(313.0712131,3.689761819);(315.0868632,2.544913301);(341.1025133,75.39760188)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(29.00273965,0.4156248815);(55.01838972,3.890982816);(75.0234751,0.4655748165);(79.01838972,4.777777845);(81.03403978,0.5286007376);(85.0289544,0.3660498641);(101.0391252,1.152044306);(103.0183897,0.3817964205);(105.0340398,0.8243002593);(123.008219,3.445406443);(131.0496898,8.614530023);(173.023869,1.730684081);(175.0395191,0.3728987971);(179.0344337,0.8581607811);(199.0395191,3.385838511);(209.0449984,1.861262938);(225.0551691,15.77948409);(227.0344337,3.09610612);(229.0500838,7.142256657);(237.0551691,1.322251932);(255.0657338,17.35564175);(259.0606485,1.324093183);(281.0813839,6.22431487);(283.0606485,1.065178353);(285.0762985,0.9673409832);(295.0606485,3.35457918);(299.0555631,1.110490193);(311.0919486,5.413767847);(313.0712131,0.6552875343);(315.0868632,0.8311925279);(341.1025133,1.286481263)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(326.07958,5.0);(341.10305,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(209.04554,10.0);(298.08466,69.0);(326.07958,55.0);(341.10305,100.0)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(343.11761,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(300.09922,1.0);(328.09413,11.0);(343.11761,100.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(77.03857,5.0);(91.05422,8.0);(123.08044,4.0);(133.06479,14.0);(137.02332,10.0);(150.03114,16.0);(151.03897,22.0);(255.10157,9.0);(257.08083,17.0);(282.08866,41.0);(299.0914,85.0);(300.09922,100.0);(327.08631,47.0);(328.09413,35.0);(343.11761,15.0)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

Back