PhytoHub: Showing entry for Chrysoeriol

Chrysoeriol

Identification

PhytoHub ID

PHUB000871

Name

Chrysoeriol

Systematic Name

Not Available

Synonyms

Luteolin 3'-Methyl ether

CAS Number

Not Available

Average Mass

300.266

Monoisotopic Mass

300.063388106

Chemical Formula

C₁₆H₁₂O₆

IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

InChI Key

SCZVLDHREVKTSH-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3

SMILES

COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.84e-02 g/l
LogS (ALOGPS): -3.64
LogP (ALOGPS): 3.07
Hydrogen Acceptors: 6
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 96.22
Refractivity: 79.37710000000001
Polarizability: 29.735983789529687
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.77407043443259
pKa (strongest acidic): 6.57670924840807
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 5280666
ChEBI: 16514
Chemistry Dashboard: DTXSID60197687
KNApSAcK: C00001029
MetaboLights: MTBLC16514
Phenol-Explorer: 282
PeakForestCompound: 000670

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: 3'-O-methylated flavonoids
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["Flavones and Flavonols", "flavones", "monomethoxyflavone", "trihydroxyflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(110.0362272,2.002713526);(122.0362272,2.372500448);(123.0440518,1.803644498);(126.0311413,1.566160635);(136.0154921,3.224387492);(147.0440518,1.918004576);(148.0518764,3.311234442);(149.059701,2.698605485);(150.0311413,4.002937566);(152.0104062,2.024119429);(152.0467905,1.661576473);(153.0182308,1.910210915);(172.0154921,1.506632289);(174.0311413,2.039842157);(216.0417046,1.546169133);(230.0573538,1.822468912);(256.0366187,3.962047632);(257.0444433,2.928929792);(258.0522679,5.422368334);(259.0600925,2.976532134);(270.0522679,3.649769636);(271.0600925,2.260875396);(272.0679171,9.280304845);(273.0713126,1.592347534);(282.0522679,5.773800882);(283.0600925,5.659300505);(284.0315328,2.709367654);(285.0393574,3.884092424);(299.0550066,2.290138542);(300.0628312,10.31052056);(301.0662259,1.88839615)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,4.683337882);(75.02606472,1.061200006);(115.0573631,2.421983538);(205.0679264,0.9886253758);(220.0914002,0.9341210257);(221.0992248,2.465565282);(231.0471913,0.9739736346);(247.0784897,2.410213735);(252.0996256,0.8736200788);(253.1074502,1.218225374);(265.0710659,2.223709805);(279.0867151,1.693029934);(280.0945397,1.296135321);(281.06598,1.651631632);(281.1023643,2.282877651);(297.0972784,1.557218751);(402.1313155,1.116763854);(403.1391401,1.372451941);(442.1262296,0.8841597181);(443.1340542,3.57988747);(444.1363646,1.266688634);(444.1418788,3.745560614);(445.1441909,1.32587147);(445.1497034,1.724927878);(473.1630147,1.781475914);(474.1650264,0.7414292447);(488.1864885,1.071651496);(500.1501042,1.333395564);(501.1579288,8.824449812);(502.1599776,3.774720311);(503.1584397,1.757991261)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(41.00219012,1.005020811);(110.0362272,1.144264567);(122.0362272,1.407868166);(123.0440518,0.9757892489);(136.0154921,4.540961932);(137.0233167,2.092539683);(148.0518764,1.955855109);(149.059701,1.677576095);(150.0311413,1.842516843);(153.0182308,0.8973139371);(172.0154921,0.9508931997);(173.0233167,0.977529754);(174.0311413,1.446548349);(175.0389659,1.014272046);(216.0417046,1.253241688);(230.0573538,1.226708147);(256.0366187,2.535376539);(257.0444433,2.879913196);(258.0522679,2.553465349);(259.0600925,1.609135937);(270.0522679,1.662659899);(271.0600925,1.094344827);(272.0679171,5.450070452);(273.0713126,0.9351423678);(282.0522679,2.902394846);(283.0600925,2.893006341);(284.0315328,2.321311418);(285.0393574,2.735077726);(299.0550066,1.42790728);(300.0628312,6.515878955);(301.0662259,1.193398593)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(151.0042,23.0);(153.0196,30.0);(163.0043,121.0);(190.9992,23.0);(206.9942,83.0);(207.9998,14.0);(229.0512,10.0);(255.0301,16.0);(271.0251,125.0);(272.0283,14.0);(273.0402,28.0);(289.0353,13.0);(299.0201,631.0);(300.0232,82.0);(301.0356,999.0);(302.039,137.0);(303.0408,15.0);(317.0305,294.0);(318.0336,37.0);(345.0251,39.0);(617.0588,12.0);(625.0615,30.0);(635.069,25.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(151.0042,23.0);(153.0196,30.0);(163.0043,121.0);(190.9992,23.0);(206.9942,83.0);(207.9998,14.0);(229.0512,10.0);(255.0301,16.0);(271.0251,125.0);(272.0283,14.0);(273.0402,28.0);(289.0353,13.0);(299.0201,631.0);(300.0232,82.0);(301.0356,999.0);(302.039,137.0);(303.0408,15.0);(317.0305,294.0);(318.0336,37.0);(345.0251,39.0);(617.0588,12.0);(625.0615,30.0);(635.069,25.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.0106,30.0);(132.0194,32.0);(133.0267,38.0);(134.0334,37.0);(149.9952,21.0);(151.0013,133.0);(183.0437,25.0);(187.0382,28.0);(199.0383,21.0);(200.0459,28.0);(211.04,50.0);(227.0343,411.0);(228.0398,65.0);(239.0358,48.0);(255.0281,215.0);(256.0357,999.0);(257.0388,112.0);(258.0405,24.0);(283.0226,57.0);(284.0295,965.0);(285.0332,154.0);(286.0344,24.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.0104,162.0);(124.0137,113.0);(132.0186,99.0);(133.0259,311.0);(134.0347,75.0);(151.0013,325.0);(155.0496,73.0);(183.043,164.0);(199.0408,119.0);(211.04,132.0);(227.035,999.0);(228.0378,101.0);(239.0359,79.0);(255.0282,357.0);(256.0343,354.0);(284.0308,182.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.0104,162.0);(124.0137,113.0);(132.0186,99.0);(133.0259,311.0);(134.0347,75.0);(151.0013,325.0);(155.0496,73.0);(183.043,164.0);(199.0408,119.0);(211.04,132.0);(227.035,999.0);(228.0378,101.0);(239.0359,79.0);(255.0282,357.0);(256.0343,354.0);(284.0308,182.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(299.0553,999.0);(300.0587,140.0);(599.1218,145.0);(600.1251,42.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(256.035,22.0);(284.03,999.0);(285.0333,105.0);(299.0552,586.0);(300.0583,62.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.0106,30.0);(132.0194,32.0);(133.0267,38.0);(134.0334,37.0);(149.9952,21.0);(151.0013,133.0);(183.0437,25.0);(187.0382,28.0);(199.0383,21.0);(200.0459,28.0);(211.04,50.0);(227.0343,411.0);(228.0398,65.0);(239.0358,48.0);(255.0281,215.0);(256.0357,999.0);(257.0388,112.0);(258.0405,24.0);(283.0226,57.0);(284.0295,965.0);(285.0332,154.0);(286.0344,24.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.0104,162.0);(124.0137,113.0);(132.0186,99.0);(133.0259,311.0);(134.0347,75.0);(151.0013,325.0);(155.0496,73.0);(183.043,164.0);(199.0408,119.0);(211.04,132.0);(227.035,999.0);(228.0378,101.0);(239.0359,79.0);(255.0282,357.0);(256.0343,354.0);(284.0308,182.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(284.0328,84.0);(285.0361,11.0);(299.0567,999.0);(300.0599,164.0);(301.0615,18.0);(599.1205,19.0);(621.1019,24.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(284.02301,144.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(94.964142,116.0);(95.142662,64.0);(95.733765,168.0);(96.067055,144.0);(96.394417,160.0);(96.631668,88.0);(97.097878,92.0);(98.179558,168.0);(98.282135,140.0);(98.303841,120.0);(98.805717,72.0);(98.880905,176.0);(99.310852,168.0);(99.74968,180.0);(100.414726,148.0);(100.498505,104.0);(100.899963,104.0);(101.16404,148.0);(101.232109,152.0);(101.286186,108.0);(101.412422,132.0);(102.01059,104.0);(102.199646,40.0);(102.411026,152.0);(102.907112,52.0);(102.931343,124.0);(103.115181,132.0);(103.369995,180.0);(103.608917,120.0);(103.708206,196.0);(104.95034,140.0);(105.205368,172.0);(105.636559,68.0);(105.716354,152.0);(105.806419,168.0);(105.968216,128.0);(106.009201,52.0);(106.446136,148.0);(106.951897,160.0);(107.041153,192.0);(107.108383,60.0);(107.716904,108.0);(107.89463,96.0);(107.971138,160.0);(108.022301,136.0);(108.550255,124.0);(108.611137,72.0);(108.656776,168.0);(109.188545,156.0);(109.648651,56.0);(109.807106,140.0);(110.111824,100.0);(110.871262,144.0);(111.005432,128.0);(111.145973,76.0);(111.932129,128.0);(112.218697,88.0);(112.623878,152.0);(112.998047,144.0);(113.591232,160.0);(113.688835,44.0);(114.492432,48.0);(114.609596,176.0);(114.935837,108.0);(114.952904,176.0);(115.313828,188.0);(115.514824,172.0);(115.718132,144.0);(116.022362,152.0);(116.050232,56.0);(116.269035,80.0);(116.46656,52.0);(116.724457,148.0);(116.952507,172.0);(117.094612,180.0);(117.346733,104.0);(118.427238,164.0);(118.598412,144.0);(118.76754,136.0);(118.862999,172.0);(118.895546,160.0);(119.006256,152.0);(119.20842,172.0);(119.436554,144.0);(120.644638,68.0);(120.981537,100.0);(121.029655,180.0);(121.56237,144.0);(121.604065,32.0);(121.920326,136.0);(122.050026,68.0);(122.263405,60.0);(123.169594,112.0);(123.434799,132.0);(123.474609,120.0);(123.660454,100.0);(123.675949,60.0);(123.71801,132.0);(124.294266,156.0);(124.349747,188.0);(124.440765,184.0);(124.511826,52.0);(125.553642,136.0);(125.68499,156.0);(125.801048,132.0);(125.903755,156.0);(126.086952,136.0);(126.136124,152.0);(126.247917,180.0);(126.836761,172.0);(126.87487,160.0);(127.036339,196.0);(127.222603,120.0);(127.298943,136.0);(128.160461,68.0);(128.550568,96.0);(128.663422,148.0);(129.416321,88.0);(129.597519,192.0);(129.883163,172.0);(130.044266,144.0);(130.076035,192.0);(130.219086,92.0);(130.666901,164.0);(130.801178,132.0);(130.864914,168.0);(130.962845,188.0);(130.983337,144.0);(131.142838,132.0);(131.395966,148.0);(131.512344,184.0);(131.587677,88.0);(132.040131,32.0);(132.101883,120.0);(132.307846,180.0);(132.335327,140.0);(132.940475,68.0);(133.035583,192.0);(133.085083,80.0);(133.351562,100.0);(133.374557,124.0);(133.735672,44.0);(133.857697,152.0);(134.037369,192.0);(134.189499,176.0);(134.399384,176.0);(134.778076,152.0);(134.870514,120.0);(134.932922,116.0);(135.006927,164.0);(135.039291,136.0);(135.734055,120.0);(135.757248,136.0);(135.859299,96.0);(135.956757,148.0);(136.014404,128.0);(136.147125,188.0);(136.226089,164.0);(136.288818,136.0);(137.208176,148.0);(137.481079,52.0);(137.576782,128.0);(137.61647,160.0);(137.79866,96.0);(138.268677,72.0);(138.301437,144.0);(138.324844,148.0);(138.345917,156.0);(138.542633,112.0);(138.594177,72.0);(138.97403,160.0);(139.150055,168.0);(139.575333,180.0);(139.998917,196.0);(140.119034,88.0);(140.159103,192.0);(140.328796,180.0);(140.375961,84.0);(140.536362,168.0);(140.555237,144.0);(140.596527,160.0);(141.465179,136.0);(141.548035,152.0);(141.735168,136.0);(142.093201,56.0);(142.356674,100.0);(142.589493,156.0);(143.019989,184.0);(143.463058,132.0);(143.763596,132.0);(143.834595,96.0);(143.902039,160.0);(144.358429,168.0);(144.506729,152.0);(144.755676,128.0);(144.793991,92.0);(145.059952,164.0);(145.777588,140.0);(145.996353,84.0);(146.035217,160.0);(146.19603,172.0);(146.566864,128.0);(146.967133,160.0);(147.046768,168.0);(147.297882,116.0);(147.568558,108.0);(147.694305,84.0);(147.856415,124.0);(148.061295,128.0);(148.226929,148.0);(148.340836,168.0);(148.452118,188.0);(148.542114,100.0);(148.806641,68.0);(149.058914,812.0);(149.289703,100.0);(149.691711,128.0);(149.859787,168.0);(150.142563,132.0);(150.166946,168.0);(150.20842,108.0);(150.32309,172.0);(150.381653,52.0);(150.406067,52.0);(150.489075,144.0);(150.662476,88.0);(150.977783,132.0);(151.03894,168.0);(151.124557,184.0);(151.171051,124.0);(151.420761,40.0);(151.594696,144.0);(151.869293,96.0);(151.947784,84.0);(152.041031,112.0);(152.203049,136.0);(152.657654,164.0);(152.748657,112.0);(152.945511,132.0);(152.975052,112.0);(153.017578,8240.0);(153.095703,64.0);(153.159729,64.0);(153.238571,48.0);(153.263199,148.0);(153.366714,44.0);(153.670044,132.0);(153.840332,80.0);(154.046371,128.0);(154.557068,140.0);(154.804611,120.0);(154.821945,60.0);(155.022446,180.0);(155.039322,156.0);(155.119263,104.0);(155.186203,128.0);(155.270523,160.0);(155.347412,196.0);(155.367249,44.0);(155.888672,92.0);(156.025391,168.0);(156.05513,184.0);(156.144745,128.0);(156.216873,160.0);(156.316391,156.0);(156.356216,156.0);(156.610168,176.0);(157.0289,12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);(286.125702,140.0);(286.150909,40.0);(286.156311,72.0);(286.212036,48.0);(286.250214,48.0);(286.285919,64.0);(286.29129,108.0);(286.305389,144.0);(286.36673,124.0);(286.40625,40.0);(286.446594,56.0);(286.484863,40.0);(286.537415,104.0);(286.58728,160.0);(286.67691,92.0);(286.736694,124.0);(286.790588,88.0);(286.881622,196.0);(286.990387,136.0);(287.049072,5604.0);(287.125275,88.0);(287.196106,52.0);(287.429138,68.0);(287.462646,88.0);(287.518921,68.0);(287.567261,88.0);(287.631378,64.0);(287.918396,40.0);(287.979187,44.0);(288.008148,60.0);(288.04953,1500.0);(288.110901,88.0);(288.310272,60.0);(288.536743,44.0);(288.614502,68.0);(288.73288,56.0);(288.780212,60.0);(288.830841,112.0);(288.897797,100.0);(288.962616,96.0);(289.033936,132.0);(289.069336,100.0);(289.098236,72.0);(289.176086,132.0);(289.226837,128.0);(289.277618,76.0);(289.362274,40.0);(289.396118,84.0);(289.728027,108.0);(289.765289,92.0);(289.812744,100.0);(289.985565,76.0);(290.083862,112.0);(290.124542,104.0);(290.368683,72.0);(290.568817,40.0);(292.924744,84.0);(293.981689,124.0);(294.637268,148.0);(294.746613,92.0);(298.458862,156.0);(298.775299,84.0);(298.950775,156.0);(300.732574,176.0);(300.774017,140.0);(300.912079,184.0);(301.069946,11756.0);(301.122742,128.0);(301.191803,112.0);(301.260895,44.0);(301.302368,48.0);(301.679047,36.0);(301.76358,68.0);(301.967468,56.0);(301.997192,68.0);(302.071472,1780.0);(302.415833,48.0);(302.481598,52.0);(302.564697,56.0);(302.606232,44.0);(302.651245,28.0);(302.734344,60.0);(302.966431,32.0);(303.233246,100.0);(303.562592,40.0);(304.107269,120.0);(304.270416,52.0);(304.305573,128.0);(304.857452,96.0);(305.410248,36.0);(305.692047,88.0);(306.785706,60.0);(311.534607,76.0);(315.584106,68.0);(317.741058,160.0);(324.542786,48.0);(330.07724,72.0);(331.358551,60.0);(334.18692,52.0);(358.213989,64.0);(364.019684,68.0);(371.623413,44.0);(372.771515,48.0);(381.778961,60.0);(393.945648,100.0);(405.962219,152.0);(407.367004,88.0);(409.555267,80.0);(412.052338,48.0);(412.452423,72.0);(415.976593,136.0);(416.34201,52.0);(423.655487,40.0);(436.787231,152.0);(437.819427,92.0);(440.593262,128.0);(441.040405,32.0);(442.098541,80.0);(445.847748,68.0);(455.634094,84.0);(459.167145,108.0);(471.579773,80.0);(472.115875,104.0);(482.945618,128.0);(501.499817,56.0);(524.46167,48.0);(525.364563,88.0);(526.263672,68.0);(530.518494,104.0);(553.664307,64.0);(555.679932,48.0);(565.017944,84.0);(570.585815,48.0);(586.628601,40.0);(599.896973,64.0);(608.109802,64.0);(612.584351,44.0);(621.205688,56.0);(622.203186,64.0);(627.016479,104.0);(632.657654,144.0);(660.128296,72.0);(696.966614,44.0);(697.744507,60.0);(741.570068,48.0);(765.081238,116.0);(771.419861,104.0);(823.504272,92.0);(867.801025,72.0);(873.056519,40.0);(882.810669,180.0);(888.924133,52.0);(892.886658,20.0);(965.538574,48.0);(980.239136,80.0);(1016.657715,80.0);(1032.917603,168.0);(1116.464844,68.0);(1140.601807,104.0);(1147.717896,140.0);(1148.938721,196.0);(1177.557617,64.0);(1221.612061,148.0);(1250.419922,164.0);(1280.638672,84.0);(1293.598755,68.0);(1295.704224,64.0);(1309.928589,188.0);(1332.144165,196.0);(1352.335205,116.0);(1354.524536,192.0);(1375.459595,80.0);(1386.109497,44.0);(1388.207397,40.0);(1388.459595,136.0);(1392.043945,136.0);(1392.16272,172.0);(1401.572876,92.0);(1404.741455,168.0);(1405.47998,144.0);(1407.353516,132.0);(1419.872925,128.0);(1421.223267,108.0);(1428.969727,108.0);(1436.94104,68.0);(1442.930176,132.0);(1461.345337,136.0);(1462.471558,92.0);(1463.66687,160.0);(1466.203613,140.0);(1467.97229,172.0);(1478.81311,52.0);(1490.216309,132.0);(1497.871094,104.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(101.1889,0.294429);(102.2563,0.306207);(124.0475,0.588859);(137.477,0.341538);(147.8658,0.306207);(156.9867,0.259098);(192.5906,0.259098);(192.6255,0.306207);(210.7842,0.847957);(217.0011,5.299729);(217.055,0.235544);(256.0375,1.637027);(256.0535,0.45931);(269.0472,0.270875);(284.0306,18.97303);(284.0832,0.812625);(284.1213,0.270875);(284.1674,0.282652);(284.7149,0.435756);(284.9808,0.270875);(288.481,0.247321);(298.5344,0.317984);(298.9971,0.365092);(299.0547,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(101.0591,0.51207);(134.0318,0.256035);(138.9932,0.353572);(145.0325,0.316996);(156.9842,0.365764);(159.0039,0.560839);(173.0125,1.81663);(181.211,0.280419);(212.0369,0.475494);(215.2641,0.658376);(217.0016,2.913923);(227.0363,1.109485);(230.0275,0.316996);(242.2534,0.256035);(255.0263,0.85345);(255.6497,0.268227);(256.037,8.644233);(256.0834,0.499878);(256.1206,0.365764);(257.0468,0.292612);(268.2201,0.377957);(283.0228,0.365764);(283.9762,0.268227);(284.0325,100.0);(284.0852,4.08437);(284.1228,0.902219);(284.1812,1.280176);(284.2103,0.475494);(284.2333,0.633992);(284.2589,0.707145);(284.3028,0.280419);(284.3394,0.524262);(284.3919,0.329188);(284.4242,0.743721);(284.4512,0.414533);(284.4783,0.304804);(284.5384,0.548647);(284.6036,0.280419);(284.6734,0.51207);(284.7102,0.609607);(284.8157,0.573031);(284.9639,0.402341);(285.0321,0.633992);(285.0775,0.377957);(298.7929,0.268227);(299.0536,25.298708)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(104.0309,4.302326);(107.0125,30.930233);(108.0202,2.790698);(108.0261,3.488372);(122.0029,5.930233);(124.0139,7.325581);(125.0272,3.023256);(132.0316,4.651163);(132.8259,3.837209);(133.0253,18.023256);(134.0361,8.372093);(135.0072,3.837209);(145.0228,2.44186);(148.0075,4.767442);(148.0235,3.953488);(149.9921,5.697674);(150.2055,2.325581);(151.0035,33.953488);(152.0063,7.44186);(154.035,3.837209);(155.0554,4.069767);(156.0587,5.348837);(158.0361,13.604651);(159.7458,4.069767);(160.0582,2.790698);(172.011,4.069767);(172.0602,4.069767);(174.0415,3.139535);(183.04,18.604651);(184.054,4.883721);(186.0229,4.418605);(186.346,3.023256);(187.0378,12.674419);(188.044,5.0);(192.7781,3.139535);(199.0388,13.604651);(200.0416,16.27907);(211.0424,24.418605);(212.0456,4.651163);(213.0121,4.767442);(227.0322,46.27907);(227.063,6.976744);(228.0472,4.651163);(228.5806,2.674419);(239.0357,6.27907);(243.0366,2.906977);(243.4838,3.255814);(255.0274,29.186047);(255.0456,4.186047);(256.0385,100.0);(256.0816,3.953488);(256.1112,3.837209);(283.0223,10.581395);(284.0322,76.046512);(284.0705,3.255814);(284.0908,4.534884);(284.122,2.55814)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(256.035,2.202202);(284.03,100.0);(285.0333,10.510511);(299.0552,58.658659);(300.0583,6.206206)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(107.0106,3.003003);(132.0194,3.203203);(133.0267,3.803804);(134.0334,3.703704);(149.9952,2.102102);(151.0013,13.313313);(183.0437,2.502503);(187.0382,2.802803);(199.0383,2.102102);(200.0459,2.802803);(211.04,5.005005);(227.0343,41.141141);(228.0398,6.506507);(239.0358,4.804805);(255.0281,21.521522);(256.0357,100.0);(257.0388,11.211211);(258.0405,2.402402);(283.0226,5.705706);(284.0295,96.596597);(285.0332,15.415415);(286.0344,2.402402)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(107.0104,16.216216);(124.0137,11.311311);(132.0186,9.90991);(133.0259,31.131131);(134.0347,7.507508);(151.0013,32.532533);(155.0496,7.307307);(183.043,16.416416);(199.0408,11.911912);(211.04,13.213213);(227.035,100.0);(228.0378,10.11011);(239.0359,7.907908);(255.0282,35.735736);(256.0343,35.435435);(284.0308,18.218218)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(258.0485,2.339776);(286.0518,6.002035);(301.0699,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(258.0521,26.654412);(286.0466,61.397059);(301.0697,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(153.0174,22.418136);(229.0478,31.989924);(257.0394,17.128463);(258.0523,100.0);(286.0423,21.410579)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(94.964142,0.172732);(95.142662,0.0953);(95.733765,0.250164);(96.067055,0.214426);(96.394417,0.238251);(96.631668,0.131038);(97.097878,0.136994);(98.179558,0.250164);(98.282135,0.20847);(98.303841,0.178688);(98.805717,0.107213);(98.880905,0.262076);(99.310852,0.250164);(99.74968,0.268033);(100.414726,0.220382);(100.498505,0.154863);(100.899963,0.154863);(101.16404,0.220382);(101.232109,0.226339);(101.286186,0.16082);(101.412422,0.196557);(102.01059,0.154863);(102.199646,0.059563);(102.411026,0.226339);(102.907112,0.077432);(102.931343,0.184645);(103.115181,0.196557);(103.369995,0.268033);(103.608917,0.178688);(103.708206,0.291858);(104.95034,0.20847);(105.205368,0.25612);(105.636559,0.101257);(105.716354,0.226339);(105.806419,0.250164);(105.968216,0.190601);(106.009201,0.077432);(106.446136,0.220382);(106.951897,0.238251);(107.041153,0.285901);(107.108383,0.089344);(107.716904,0.16082);(107.89463,0.142951);(107.971138,0.238251);(108.022301,0.202514);(108.550255,0.184645);(108.611137,0.107213);(108.656776,0.250164);(109.188545,0.232295);(109.648651,0.083388);(109.807106,0.20847);(110.111824,0.148907);(110.871262,0.214426);(111.005432,0.190601);(111.145973,0.113169);(111.932129,0.190601);(112.218697,0.131038);(112.623878,0.226339);(112.998047,0.214426);(113.591232,0.238251);(113.688835,0.065519);(114.492432,0.071475);(114.609596,0.262076);(114.935837,0.16082);(114.952904,0.262076);(115.313828,0.279945);(115.514824,0.25612);(115.718132,0.214426);(116.022362,0.226339);(116.050232,0.083388);(116.269035,0.119126);(116.46656,0.077432);(116.724457,0.220382);(116.952507,0.25612);(117.094612,0.268033);(117.346733,0.154863);(118.427238,0.244208);(118.598412,0.214426);(118.76754,0.202514);(118.862999,0.25612);(118.895546,0.238251);(119.006256,0.226339);(119.20842,0.25612);(119.436554,0.214426);(120.644638,0.101257);(120.981537,0.148907);(121.029655,0.268033);(121.56237,0.214426);(121.604065,0.04765);(121.920326,0.202514);(122.050026,0.101257);(122.263405,0.089344);(123.169594,0.166776);(123.434799,0.196557);(123.474609,0.178688);(123.660454,0.148907);(123.675949,0.089344);(123.71801,0.196557);(124.294266,0.232295);(124.349747,0.279945);(124.440765,0.273989);(124.511826,0.077432);(125.553642,0.202514);(125.68499,0.232295);(125.801048,0.196557);(125.903755,0.232295);(126.086952,0.202514);(126.136124,0.226339);(126.247917,0.268033);(126.836761,0.25612);(126.87487,0.238251);(127.036339,0.291858);(127.222603,0.178688);(127.298943,0.202514);(128.160461,0.101257);(128.550568,0.142951);(128.663422,0.220382);(129.416321,0.131038);(129.597519,0.285901);(129.883163,0.25612);(130.044266,0.214426);(130.076035,0.285901);(130.219086,0.136994);(130.666901,0.244208);(130.801178,0.196557);(130.864914,0.250164);(130.962845,0.279945);(130.983337,0.214426);(131.142838,0.196557);(131.395966,0.220382);(131.512344,0.273989);(131.587677,0.131038);(132.040131,0.04765);(132.101883,0.178688);(132.307846,0.268033);(132.335327,0.20847);(132.940475,0.101257);(133.035583,0.285901);(133.085083,0.119126);(133.351562,0.148907);(133.374557,0.184645);(133.735672,0.065519);(133.857697,0.226339);(134.037369,0.285901);(134.189499,0.262076);(134.399384,0.262076);(134.778076,0.226339);(134.870514,0.178688);(134.932922,0.172732);(135.006927,0.244208);(135.039291,0.202514);(135.734055,0.178688);(135.757248,0.202514);(135.859299,0.142951);(135.956757,0.220382);(136.014404,0.190601);(136.147125,0.279945);(136.226089,0.244208);(136.288818,0.202514);(137.208176,0.220382);(137.481079,0.077432);(137.576782,0.190601);(137.61647,0.238251);(137.79866,0.142951);(138.268677,0.107213);(138.301437,0.214426);(138.324844,0.220382);(138.345917,0.232295);(138.542633,0.166776);(138.594177,0.107213);(138.97403,0.238251);(139.150055,0.250164);(139.575333,0.268033);(139.998917,0.291858);(140.119034,0.131038);(140.159103,0.285901);(140.328796,0.268033);(140.375961,0.125082);(140.536362,0.250164);(140.555237,0.214426);(140.596527,0.238251);(141.465179,0.202514);(141.548035,0.226339);(141.735168,0.202514);(142.093201,0.083388);(142.356674,0.148907);(142.589493,0.232295);(143.019989,0.273989);(143.463058,0.196557);(143.763596,0.196557);(143.834595,0.142951);(143.902039,0.238251);(144.358429,0.250164);(144.506729,0.226339);(144.755676,0.190601);(144.793991,0.136994);(145.059952,0.244208);(145.777588,0.20847);(145.996353,0.125082);(146.035217,0.238251);(146.19603,0.25612);(146.566864,0.190601);(146.967133,0.238251);(147.046768,0.250164);(147.297882,0.172732);(147.568558,0.16082);(147.694305,0.125082);(147.856415,0.184645);(148.061295,0.190601);(148.226929,0.220382);(148.340836,0.250164);(148.452118,0.279945);(148.542114,0.148907);(148.806641,0.101257);(149.058914,1.209125);(149.289703,0.148907);(149.691711,0.190601);(149.859787,0.250164);(150.142563,0.196557);(150.166946,0.250164);(150.20842,0.16082);(150.32309,0.25612);(150.381653,0.077432);(150.406067,0.077432);(150.489075,0.214426);(150.662476,0.131038);(150.977783,0.196557);(151.03894,0.250164);(151.124557,0.273989);(151.1710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388733,0.113169);(259.45282,0.065519);(259.516968,0.125082);(259.597107,0.16082);(259.63559,0.154863);(259.658051,0.125082);(259.71579,0.113169);(259.776733,0.053607);(259.818451,0.107213);(259.927856,0.119126);(259.998413,0.065519);(260.056946,1.221038);(260.110474,0.113169);(260.209991,0.166776);(260.238892,0.250164);(260.349823,0.131038);(260.388428,0.178688);(260.428345,0.131038);(260.471405,0.166776);(260.499023,0.142951);(260.556854,0.101257);(260.598602,0.089344);(260.623016,0.196557);(260.653229,0.089344);(260.67572,0.172732);(260.721405,0.178688);(260.756073,0.196557);(260.788208,0.0953);(260.867371,0.190601);(260.891266,0.214426);(260.916809,0.262076);(260.970612,0.113169);(261.022888,0.083388);(261.061493,0.119126);(261.125824,0.196557);(261.167633,0.053607);(261.232147,0.0953);(261.502258,0.107213);(261.547302,0.16082);(261.585938,0.083388);(261.68573,0.291858);(261.721161,0.142951);(261.827423,0.119126);(261.885406,0.107213);(261.907959,0.226339);(261.994934,0.178688);(262.098022,0.071475);(262.233368,0.107213);(262.449371,0.136994);(262.623505,0.083388);(262.739624,0.071475);(262.813843,0.202514);(262.849335,0.136994);(262.903595,0.279945);(263.185028,0.172732);(263.453094,0.077432);(263.546814,0.154863);(263.989655,0.279945);(264.0802,0.125082);(264.245178,0.059563);(264.410217,0.065519);(264.455536,0.172732);(264.633575,0.268033);(264.701569,0.107213);(265.028748,0.083388);(265.336639,0.071475);(266.97937,0.268033);(267.025208,0.202514);(267.249664,0.250164);(267.444916,0.178688);(267.887787,0.113169);(268.005066,0.20847);(268.115845,0.25612);(268.556,0.065519);(269.52887,0.244208);(269.568085,0.16082);(269.741302,0.148907);(270.038849,0.202514);(270.110809,0.244208);(270.153351,0.262076);(270.614807,0.196557);(271.050446,0.184645);(271.158569,0.148907);(271.497894,0.226339);(272.005219,0.250164);(272.070465,0.238251);(272.576294,0.232295);(272.783356,0.107213);(273.457642,0.083388);(273.622253,0.131038);(273.816528,0.083388);(274.258026,0.113169);(274.455841,0.178688);(274.891235,0.107213);(275.013367,0.142951);(278.17453,0.119126);(280.159851,0.083388);(280.829865,0.142951);(281.093414,0.291858);(282.182312,0.136994);(282.935333,0.154863);(282.976654,0.202514);(283.223083,0.226339);(283.531311,0.202514);(283.859863,0.178688);(284.564484,0.083388);(285.004822,0.178688);(285.16452,0.172732);(285.24408,0.238251);(285.313721,0.136994);(285.465027,0.142951);(285.582733,0.178688);(285.697083,0.196557);(285.802917,0.232295);(285.905701,0.226339);(285.942719,0.16082);(285.982849,0.291858);(286.046539,55.053904);(286.125702,0.20847);(286.150909,0.059563);(286.156311,0.107213);(286.212036,0.071475);(286.250214,0.071475);(286.285919,0.0953);(286.29129,0.16082);(286.305389,0.214426);(286.36673,0.184645);(286.40625,0.059563);(286.446594,0.083388);(286.484863,0.059563);(286.537415,0.154863);(286.58728,0.238251);(286.67691,0.136994);(286.736694,0.184645);(286.790588,0.131038);(286.881622,0.291858);(286.990387,0.202514);(287.049072,8.34475);(287.125275,0.131038);(287.196106,0.077432);(287.429138,0.101257);(287.462646,0.131038);(287.518921,0.101257);(287.567261,0.131038);(287.631378,0.0953);(287.918396,0.059563);(287.979187,0.065519);(288.008148,0.089344);(288.04953,2.233605);(288.110901,0.131038);(288.310272,0.089344);(288.536743,0.065519);(288.614502,0.101257);(288.73288,0.083388);(288.780212,0.089344);(288.830841,0.166776);(288.897797,0.148907);(288.962616,0.142951);(289.033936,0.196557);(289.069336,0.148907);(289.098236,0.107213);(289.176086,0.196557);(289.226837,0.190601);(289.277618,0.113169);(289.362274,0.059563);(289.396118,0.125082);(289.728027,0.16082);(289.765289,0.136994);(289.812744,0.148907);(289.985565,0.113169);(290.083862,0.166776);(290.124542,0.154863);(290.368683,0.107213);(290.568817,0.059563);(292.924744,0.125082);(293.981689,0.184645);(294.637268,0.220382);(294.746613,0.136994);(298.458862,0.232295);(298.775299,0.125082);(298.950775,0.232295);(300.732574,0.262076);(300.774017,0.20847);(300.912079,0.273989);(301.069946,17.50551);(301.122742,0.190601);(301.191803,0.166776);(301.260895,0.065519);(301.302368,0.071475);(301.679047,0.053607);(301.76358,0.101257);(301.967468,0.083388);(301.997192,0.101257);(302.071472,2.650545);(302.415833,0.071475);(302.481598,0.077432);(302.564697,0.083388);(302.606232,0.065519);(302.651245,0.041694);(302.734344,0.089344);(302.966431,0.04765);(303.233246,0.148907);(303.562592,0.059563);(304.107269,0.178688);(304.270416,0.077432);(304.305573,0.190601);(304.857452,0.142951);(305.410248,0.053607);(305.692047,0.131038);(306.785706,0.089344);(311.534607,0.113169);(315.584106,0.101257);(317.741058,0.238251);(324.542786,0.071475);(330.07724,0.107213);(331.358551,0.089344);(334.18692,0.077432);(358.213989,0.0953);(364.019684,0.101257);(371.623413,0.065519);(372.771515,0.071475);(381.778961,0.089344);(393.945648,0.148907);(405.962219,0.226339);(407.367004,0.131038);(409.555267,0.119126);(412.052338,0.071475);(412.452423,0.107213);(415.976593,0.202514);(416.34201,0.077432);(423.655487,0.059563);(436.787231,0.226339);(437.819427,0.136994);(440.593262,0.190601);(441.040405,0.04765);(442.098541,0.119126);(445.847748,0.101257);(455.634094,0.125082);(459.167145,0.16082);(471.579773,0.119126);(472.115875,0.154863);(482.945618,0.190601);(501.499817,0.083388);(524.46167,0.071475);(525.364563,0.131038);(526.263672,0.101257);(530.518494,0.154863);(553.664307,0.0953);(555.679932,0.071475);(565.017944,0.125082);(570.585815,0.071475);(586.628601,0.059563);(599.896973,0.0953);(608.109802,0.0953);(612.584351,0.065519);(621.205688,0.083388);(622.203186,0.0953);(627.016479,0.154863);(632.657654,0.214426);(660.128296,0.107213);(696.966614,0.065519);(697.744507,0.089344);(741.570068,0.071475);(765.081238,0.172732);(771.419861,0.154863);(823.504272,0.136994);(867.801025,0.107213);(873.056519,0.059563);(882.810669,0.268033);(888.924133,0.077432);(892.886658,0.029781);(965.538574,0.071475);(980.239136,0.119126);(1016.657715,0.119126);(1032.917603,0.250164);(1116.464844,0.101257);(1140.601807,0.154863);(1147.717896,0.20847);(1148.938721,0.291858);(1177.557617,0.0953);(1221.612061,0.220382);(1250.419922,0.244208);(1280.638672,0.125082);(1293.598755,0.101257);(1295.704224,0.0953);(1309.928589,0.279945);(1332.144165,0.291858);(1352.335205,0.172732);(1354.524536,0.285901);(1375.459595,0.119126);(1386.109497,0.065519);(1388.207397,0.059563);(1388.459595,0.202514);(1392.043945,0.202514);(1392.16272,0.25612);(1401.572876,0.136994);(1404.741455,0.250164);(1405.47998,0.214426);(1407.353516,0.196557);(1419.872925,0.190601);(1421.223267,0.16082);(1428.969727,0.16082);(1436.94104,0.101257);(1442.930176,0.196557);(1461.345337,0.202514);(1462.471558,0.136994);(1463.66687,0.238251);(1466.203613,0.20847);(1467.97229,0.25612);(1478.81311,0.077432);(1490.216309,0.196557);(1497.871094,0.154863)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0104,16.22);(124.0137,11.31);(132.0186,9.91);(133.0259,31.13);(134.0347,7.51);(151.0013,32.53);(155.0496,7.31);(183.043,16.42);(199.0408,11.91);(211.04,13.21);(227.035,100.0);(228.0378,10.11);(239.0359,7.91);(255.0282,35.74);(256.0343,35.44);(284.0308,18.22)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(256.035,2.2);(284.03,100.0);(285.0333,10.51);(299.0552,58.66);(300.0583,6.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0106,3.0);(132.0194,3.2);(133.0267,3.8);(134.0334,3.7);(149.9952,2.1);(151.0013,13.31);(183.0437,2.5);(187.0382,2.8);(199.0383,2.1);(200.0459,2.8);(211.04,5.01);(227.0343,41.14);(228.0398,6.51);(239.0358,4.8);(255.0281,21.52);(256.0357,100.0);(257.0388,11.21);(258.0405,2.4);(283.0226,5.71);(284.0295,96.6);(285.0332,15.42);(286.0344,2.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(104.0309,4.3);(107.0125,30.93);(108.0202,2.79);(108.0261,3.49);(122.0029,5.93);(124.0139,7.33);(125.0272,3.02);(132.0316,4.65);(132.8259,3.84);(133.0253,18.02);(134.0361,8.37);(135.0072,3.84);(145.0228,2.44);(148.0075,4.77);(148.0235,3.95);(149.9921,5.7);(150.2055,2.33);(151.0035,33.95);(152.0063,7.44);(154.035,3.84);(155.0554,4.07);(156.0587,5.35);(158.0361,13.6);(159.7458,4.07);(160.0582,2.79);(172.011,4.07);(172.0602,4.07);(174.0415,3.14);(183.04,18.6);(184.054,4.88);(186.0229,4.42);(186.346,3.02);(187.0378,12.67);(188.044,5.0);(192.7781,3.14);(199.0388,13.6);(200.0416,16.28);(211.0424,24.42);(212.0456,4.65);(213.0121,4.77);(227.0322,46.28);(227.063,6.98);(228.0472,4.65);(228.5806,2.67);(239.0357,6.28);(243.0366,2.91);(243.4838,3.26);(255.0274,29.19);(255.0456,4.19);(256.0385,100.0);(256.0816,3.95);(256.1112,3.84);(283.0223,10.58);(284.0322,76.05);(284.0705,3.26);(284.0908,4.53);(284.122,2.56)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(173.0125,1.82);(217.0016,2.91);(227.0363,1.11);(256.037,8.64);(284.0325,100.0);(284.0852,4.08);(284.1812,1.28);(299.0536,25.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(153.0174,22.42);(229.0478,31.99);(257.0394,17.13);(258.0523,100.0);(286.0423,21.41)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(258.0521,26.65);(286.0466,61.4);(301.0697,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(217.0011,5.3);(256.0375,1.64);(284.0306,18.97);(299.0547,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(258.0485,2.34);(286.0518,6.0);(301.0699,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0305267026);(55.01838972,0.0573775534);(57.03403978,0.0989009756);(59.04968984,0.0129978699);(68.99765427,0.0126250638);(73.0289544,0.0635651943);(99.04460446,0.1520313829);(127.0395191,0.0080449809);(149.0602545,0.1955979559);(153.0187836,0.6890326179);(175.0395191,0.0210135955);(203.0344337,0.1340562535);(217.0500838,0.0083624534);(227.0344337,0.0036522256);(229.0500838,0.0291701443);(231.0293483,0.0114407191);(241.0500838,0.040295501);(243.0293483,0.1130620496);(245.0449984,0.054519156);(247.0606485,0.3862475406);(253.0500838,0.0251575861);(255.0293483,0.0061417588);(257.0449984,0.0047821784);(259.0606485,0.2080136836);(267.0293483,0.0132994867);(271.0606485,1.399303636);(273.039913,0.3048739954);(275.0555631,0.0969008274);(283.0606485,2.094599645);(285.039913,0.7354376027);(301.0712131,92.98896966)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.0660146551);(55.01838972,0.194774708);(57.03403978,0.2944276541);(59.04968984,0.4079684167);(68.99765427,0.199753502);(73.0289544,0.0582143895);(99.04460446,0.1111329133);(119.0496898,0.0338393233);(149.0602545,0.3677711204);(153.0187836,1.125928488);(175.0395191,0.3127741551);(203.0344337,0.5192894661);(217.0500838,0.0361194147);(225.0187836,0.0242948385);(229.0500838,0.50079327);(231.0293483,0.0324825553);(241.0500838,1.363973712);(243.0293483,0.5354466195);(245.0449984,0.144863295);(247.0606485,0.7296379923);(253.0500838,0.5497835431);(255.0293483,0.1609801977);(257.0449984,0.0186197057);(259.0606485,1.652041684);(267.0293483,0.0663479827);(271.0606485,10.07324026);(273.039913,0.3784017824);(275.0555631,0.272783254);(283.0606485,3.555815722);(285.039913,1.688266668);(301.0712131,74.52421872)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,1.449078759);(51.0234751,2.737608915);(68.99765427,3.770191681);(77.03912516,1.683348769);(81.03403978,1.22276768);(85.0289544,3.229058689);(99.04460446,1.07177421);(109.0289544,3.651627997);(111.008219,1.814683727);(119.0496898,1.980379071);(133.0289544,2.496049184);(145.0289544,1.062748708);(149.0602545,3.06026447);(153.0187836,15.67948221);(175.0395191,2.434963259);(203.0344337,2.071932654);(211.0395191,3.040085965);(227.0344337,1.067641184);(229.0500838,6.868764177);(231.0293483,1.026692723);(241.0500838,4.495898156);(243.0293483,4.045859272);(253.0500838,3.757361052);(255.0293483,1.513250234);(259.0606485,1.858462037);(267.0293483,3.445882089);(271.0606485,3.860529189);(273.039913,1.050146086);(283.0606485,5.818449095);(285.039913,5.692414191);(301.0712131,3.042604564)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0663165179);(29.00273965,0.0284723043);(41.00273965,0.0795308967);(53.00273965,0.0253819052);(55.01838972,0.1212038824);(57.03403978,0.1266711969);(71.01330434,0.0407594744);(97.0289544,0.0557354477);(125.023869,0.1972181052);(131.0133043,0.0022860702);(147.0446045,0.2647884585);(151.0031336,0.6390404732);(173.023869,0.0206467908);(201.0187836,0.006650924);(215.0344337,0.0123653646);(227.0344337,0.0766079789);(229.0136983,0.002402041);(231.0657338,0.0167428152);(239.0344337,0.0135497884);(241.0136983,0.0110280377);(243.0293483,0.0668037008);(245.0449984,0.1454792081);(251.0344337,0.0122325514);(257.0449984,0.3036559156);(265.0136983,0.0092493038);(269.0449984,0.5032768851);(271.0242629,0.0647558268);(273.039913,0.2385466731);(281.0449984,0.7562964155);(283.0242629,1.020352205);(299.0555631,95.07195284)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.1726005044);(29.00273965,0.050044148);(41.00273965,0.2164967124);(53.00273965,0.1969464532);(55.01838972,0.5801603524);(57.03403978,0.1813699882);(83.01330434,0.0414540885);(97.0289544,0.5607048436);(125.023869,1.374010789);(131.0133043,0.040635315);(147.0446045,0.5266610855);(151.0031336,1.494530863);(173.023869,0.5486103097);(201.0187836,0.3458243068);(215.0344337,0.0623032392);(225.0187836,0.1177403846);(227.0344337,1.093794766);(231.0657338,0.0645491658);(239.0344337,0.1172950469);(241.0136983,5.179708553);(243.0293483,3.107308112);(245.0449984,0.2013238632);(251.0344337,0.1991048145);(257.0449984,2.671552468);(265.0136983,0.0945493614);(269.0449984,2.84007042);(271.0242629,0.4178781759);(273.039913,0.5003031816);(281.0449984,1.297252793);(283.0242629,11.80771883);(299.0555631,63.89749706)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.338441538);(55.01838972,1.366547165);(65.00273965,0.8935333922);(75.0234751,0.9925291661);(83.01330434,3.119579029);(107.0133043,1.768465041);(117.0340398,1.432645598);(125.023869,3.334121273);(131.0133043,2.763438405);(147.0446045,2.49893449);(151.0031336,11.06386862);(173.023869,2.217100033);(185.023869,0.8875783706);(199.0031336,0.6721850374);(201.0187836,7.124515804);(203.0344337,0.805688657);(215.0344337,4.556517268);(225.0187836,0.7123069684);(227.0344337,6.604006085);(229.0136983,2.330638794);(239.0344337,1.87300741);(241.0136983,6.302535325);(243.0293483,1.864990116);(245.0449984,1.325755205);(251.0344337,1.478891038);(253.0136983,0.7220438023);(257.0449984,3.321296367);(265.0136983,2.80891439);(269.0449984,4.622670564);(283.0242629,14.95851769);(299.0555631,2.238737356)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(299.0561,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(255.06627,4.0);(299.0561,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(107.01384,30.0);(151.00367,56.0);(189.05571,100.0);(215.07136,22.0);(225.05571,8.0);(231.06627,6.0);(255.06627,13.0);(299.0561,38.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(301.07066,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(301.07066,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(149.0597,45.0);(153.01823,100.0);(153.05462,14.0);(155.03388,21.0);(227.07027,23.0);(241.04953,15.0);(301.07066,85.0)

Food Sources

No food source information available

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
	Chrysoeriol		Chrysoeriol	rat	plasma	unchanged	<1h	200-500 nmol/L	No data	C₁₆H₁₂O₆	300.063388106		Publications
	Luteolin		Chrysoeriol	rat	plasma, urine	host-gut microbiota co-metabolite	<1h	2-5µmol/L	<1%	C₁₆H₁₂O₆	300.063388106		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Chrysoeriol