PhytoHub: Showing entry for Isorhamnetin

Isorhamnetin

Identification

PhytoHub ID

PHUB000662

Name

Isorhamnetin

Systematic Name

Not Available

Synonyms

3,5,7,4'-Tetrahydroxy-3'-methoxyflavone
3'-Methylquercetin

CAS Number

Not Available

Average Mass

316.265

Monoisotopic Mass

316.058302726

Chemical Formula

C₁₆H₁₂O₇

IUPAC Name

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

InChI Key

IZQSVPBOUDKVDZ-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

SMILES

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

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.49e-01 g/l
LogS (ALOGPS): -3.33
LogP (ALOGPS): 1.96
Hydrogen Acceptors: 7
Hydrogen Donors: 4
Rotatable Bond Count: 2
Polar Surface Area: 116.45000000000002
Refractivity: 81.34449999999998
Polarizability: 30.56226663457362
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.9548376558370353
pKa (strongest acidic): 6.381413988597494
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: Flavonols

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Flavonoid metabolites
Metabolite Sub-class: Flavonols (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Quercetin	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical
Quercetin 4'-O-glucoside	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical
Quercetin 3'-O-glucoside	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical
Quercitrin	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical
Cranberry flavonols	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Flavones
Direct Parent Name: Flavonols
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-O-methylated flavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Polyols", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "monomethoxyflavone", "tetrahydroxyflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "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", "Polyol", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(31.0,3.0);(32.0,3.2);(39.0,3.6);(41.0,0.3);(43.0,3.8);(44.0,3.2);(45.0,3.3);(50.0,0.16);(51.0,4.4);(52.0,3.5);(53.0,2.4);(55.0,0.34);(63.0,2.3);(65.0,3.2);(67.0,1.3);(69.0,1.22);(77.0,2.4);(79.0,1.9);(81.0,1.3);(91.0,0.13);(108.0,5.0);(109.0,1.4);(121.0,2.9);(123.0,0.29);(124.0,2.2);(128.0,3.2);(136.0,3.1);(137.0,0.21);(142.0,3.1);(149.0,6.4);(151.0,4.4);(153.0,0.56);(158.0,1.4);(217.0,4.3);(229.0,1.4);(245.0,0.57);(273.0,2.6);(286.0,3.3);(287.0,7.2);(288.0,0.24);(301.0,5.0);(302.0,5.6);(315.0,13.7);(316.0,99.99);(317.0,16.7);(318.0,2.1)
GC-MS	EI-B	positive	Not Available	View Spectrum	(31.0,3.0);(32.0,3.2);(39.0,3.6);(41.0,0.3);(43.0,3.8);(44.0,3.2);(45.0,3.3);(50.0,0.16);(51.0,4.4);(52.0,3.5);(53.0,2.4);(55.0,0.34);(63.0,2.3);(65.0,3.2);(67.0,1.3);(69.0,1.22);(77.0,2.4);(79.0,1.9);(81.0,1.3);(91.0,0.13);(108.0,5.0);(109.0,1.4);(121.0,2.9);(123.0,0.29);(124.0,2.2);(128.0,3.2);(136.0,3.1);(137.0,0.21);(142.0,3.1);(149.0,6.4);(151.0,4.4);(153.0,0.56);(158.0,1.4);(217.0,4.3);(229.0,1.4);(245.0,0.57);(273.0,2.6);(286.0,3.3);(287.0,7.2);(288.0,0.24);(301.0,5.0);(302.0,5.6);(315.0,13.7);(316.0,99.99);(317.0,16.7);(318.0,2.1)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(110.0362272,0.9964573313);(122.0362272,1.134028219);(135.0440518,1.053302904);(136.0154921,4.340616626);(137.0233167,3.122368842);(138.0311413,1.8996154);(139.0389659,0.9455372427);(152.0104062,1.27516688);(164.0467905,1.087292871);(165.0182308,1.24616949);(166.0260554,1.394717915);(230.0209695,0.9760538663);(258.0522679,1.103493159);(259.0600925,0.8669104841);(260.0679171,1.268634134);(270.0158836,0.9593107927);(272.0315328,1.892184042);(274.047182,1.026278534);(284.0315328,1.240503844);(285.0393574,1.480598491);(286.047182,4.472075487);(287.0550066,4.955596235);(288.0584014,0.8514131519);(288.0628312,6.59026923);(289.0662285,1.133252423);(298.047182,2.20172747);(299.0550066,1.869004456);(300.0264469,1.411563046);(301.0342715,1.841042523);(315.0499207,0.9213865079);(316.0577453,3.124945189)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,4.096708789);(223.0784897,2.71151384);(252.0996256,0.7076506848);(265.0710659,3.155086987);(266.0728535,0.7549197479);(280.0945397,1.751591543);(281.1023643,4.165784543);(282.1042326,1.045881311);(293.1023643,3.027854757);(294.1042961,0.7940809012);(297.0972784,2.603650795);(308.1258381,0.9415268656);(309.1336627,3.52292068);(310.1356621,0.9654655393);(490.1657534,0.8021387138);(530.1606675,0.8127870207);(531.1684921,3.362951661);(532.1705789,1.478440584);(532.1763167,3.389651334);(533.1784049,1.490686975);(533.1841413,1.634040851);(534.186231,0.7188569331);(561.1974526,3.780713594);(562.1993196,1.89784001);(563.1977967,1.005390518);(576.2209264,1.27759614);(588.1845421,1.197535873);(589.1923667,8.356071766);(590.1942678,4.29124505);(591.1928441,2.287713206);(592.1935062,0.7422273592)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(110.0362272,0.9964573313);(122.0362272,1.134028219);(135.0440518,1.053302904);(136.0154921,4.340616626);(137.0233167,3.122368842);(138.0311413,1.8996154);(139.0389659,0.9455372427);(152.0104062,1.27516688);(164.0467905,1.087292871);(165.0182308,1.24616949);(166.0260554,1.394717915);(230.0209695,0.9760538663);(258.0522679,1.103493159);(259.0600925,0.8669104841);(260.0679171,1.268634134);(270.0158836,0.9593107927);(272.0315328,1.892184042);(274.047182,1.026278534);(284.0315328,1.240503844);(285.0393574,1.480598491);(286.047182,4.472075487);(287.0550066,4.955596235);(288.0584014,0.8514131519);(288.0628312,6.59026923);(289.0662285,1.133252423);(298.047182,2.20172747);(299.0550066,1.869004456);(300.0264469,1.411563046);(301.0342715,1.841042523);(315.0499207,0.9213865079);(316.0577453,3.124945189)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(121.024063,538.0);(126.025673,371.0);(137.019669,309.0);(139.032486,376.0);(151.035065,626.0);(153.014206,9407.0);(154.016937,722.0);(155.052078,170.0);(161.050766,206.0);(165.012085,540.0);(166.019333,240.0);(171.026199,175.0);(173.053024,243.0);(177.050613,246.0);(179.034698,175.0);(183.029785,305.0);(189.043167,350.0);(190.052185,203.0);(191.051346,184.0);(200.043335,415.0);(201.051666,1121.0);(203.031937,832.0);(204.038055,262.0);(205.037384,177.0);(207.049576,409.0);(217.042801,1728.0);(218.052048,1261.0);(219.031265,528.0);(228.037582,2369.0);(229.044937,4825.0);(230.049408,787.0);(231.024963,610.0);(232.03598,227.0);(243.040619,213.0);(244.031235,408.0);(245.037537,2390.0);(246.048965,3558.0);(247.050583,592.0);(257.038055,3359.0);(258.043976,632.0);(259.044922,172.0);(260.024261,658.0);(261.0672,214.0);(273.036926,3257.0);(274.041656,6412.0);(285.035217,4313.0);(287.04599,519.0);(288.058014,248.0);(302.03833,14954.0);(317.059723,8138.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(124.017632,380.0);(135.008469,406.0);(136.016983,500.0);(148.015274,3258.0);(149.022034,324.0);(149.995392,1182.0);(151.002396,9902.0);(152.010208,1330.0);(153.015747,327.0);(163.003555,2158.0);(164.012115,3858.0);(165.015839,402.0);(169.012527,3582.0);(170.018753,372.0);(172.052505,294.0);(183.011856,6489.0);(184.016785,825.0);(185.011398,429.0);(188.049683,279.0);(189.017197,439.0);(192.008438,374.0);(197.025375,464.0);(199.038269,464.0);(200.045105,488.0);(202.026321,500.0);(211.035934,348.0);(215.034561,734.0);(216.041794,1865.0);(226.024384,342.0);(227.036301,2109.0);(228.037582,779.0);(243.030273,2125.0);(244.035538,978.0);(255.02829,1905.0);(256.033325,609.0);(271.021057,3888.0);(272.027649,1922.0);(283.024597,2832.0);(285.038879,456.0);(300.025726,27209.0);(315.051208,808.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(63.0217,2.365398);(65.0011,2.027484);(83.0127,4.235188);(107.0134,9.394008);(108.0212,6.983555);(120.0215,2.027484);(136.0164,2.81595);(148.0168,5.90223);(151.0038,16.580311);(163.0037,5.24893);(164.0116,5.203875);(227.0351,3.807164);(243.03,3.46925);(255.0298,4.437936);(271.0251,6.285199);(283.0248,3.446722);(300.0272,71.547646);(301.0313,2.523091);(315.0504,100.0);(315.3217,2.25276);(316.0542,3.874747)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(63.0529,11.5);(65.038,8.272727);(79.7369,2.181818);(83.0554,27.454545);(83.8599,2.772727);(84.7016,2.045455);(91.0555,2.590909);(94.028,4.863636);(94.9534,3.045455);(95.9927,2.227273);(106.1862,2.454545);(107.0509,69.545455);(108.0239,38.454545);(108.8914,7.363636);(109.7594,2.363636);(120.0509,10.318182);(122.0359,7.545455);(122.9466,2.318182);(124.0326,7.772727);(124.9927,2.409091);(132.854,2.045455);(135.0343,9.363636);(136.0186,19.5);(136.943,4.454545);(137.8422,2.181818);(146.1147,2.272727);(147.0764,2.318182);(148.0417,38.0);(148.9639,7.272727);(150.0206,12.5);(151.0283,100.0);(151.9361,18.318182);(152.8028,4.590909);(153.692,2.454545);(154.9722,2.863636);(158.9859,3.363636);(159.9397,2.363636);(161.084,2.863636);(162.0321,2.909091);(163.0279,26.681818);(164.0129,37.272727);(164.8574,5.454545);(165.8762,2.318182);(166.9852,2.227273);(171.0749,2.772727);(171.9882,4.227273);(172.9472,3.0);(173.9756,3.863636);(174.9574,3.409091);(176.0901,2.136364);(182.029,2.0);(183.073,8.818182);(184.018,2.863636);(184.9444,2.181818);(185.9277,2.272727);(187.0533,3.863636);(188.0361,4.545455);(189.0253,5.909091);(189.9849,2.090909);(192.0317,2.636364);(198.0311,2.045455);(199.0451,8.636364);(200.0241,5.454545);(201.0133,4.136364);(201.9842,5.0);(202.9915,4.272727);(211.0605,6.409091);(212.0111,2.590909);(215.0473,10.863636);(216.042,10.636364);(216.9417,4.181818);(226.0637,4.818182);(227.0591,23.227273);(227.9763,7.045455);(228.9938,4.045455);(229.9407,2.045455);(243.0498,24.772727);(244.0015,7.0);(252.8763,2.0);(253.9675,2.545455);(255.0495,30.409091);(255.9985,5.0);(256.8985,2.181818);(271.0412,43.863636);(271.9578,10.590909);(272.7817,3.136364);(283.0391,28.454545);(283.8947,4.590909);(297.2021,2.272727);(299.0442,10.090909);(300.0419,57.227273);(300.9412,10.545455);(301.8309,3.272727)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0136,13.599386);(151.0038,16.270146);(300.0259,73.507291);(315.0505,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(92.0202,13.572188);(93.0279,12.615758);(121.0261,10.7029);(126.0296,5.829664);(137.0221,3.157735);(139.0381,3.036284);(151.0385,3.264005);(153.018,100.0);(153.0807,9.549112);(165.0187,3.188098);(173.0601,3.400638);(183.0445,3.764992);(200.0471,6.163656);(201.0553,11.78078);(203.0347,14.619705);(217.0505,28.935783);(218.0584,9.002581);(219.0292,6.361014);(228.0425,29.543039);(229.0501,48.808259);(229.1265,3.415819);(231.0305,9.792015);(245.0459,33.505389);(246.0529,20.995901);(256.0381,4.265978);(257.0455,18.232883);(260.0323,4.508881);(273.0407,22.529224);(274.048,26.309397);(284.0334,5.313496);(285.0401,22.134507);(301.0372,3.734629);(302.0433,31.956885);(317.0661,6.52801)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(92.0202,2.694737);(93.0282,2.005263);(121.0261,2.205263);(153.0181,17.710526);(201.0556,1.710526);(203.0351,3.826316);(217.0506,6.310526);(228.0428,3.942105);(229.0504,7.342105);(245.0459,5.710526);(246.0526,2.815789);(257.0454,4.178947);(273.0408,3.173684);(274.0483,6.315789);(285.0403,6.784211);(302.0431,18.452632);(317.0661,100.0);(317.1549,5.005263);(318.0711,4.763158)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(153.0205,23.990476);(209.0339,10.6);(229.0487,9.666667);(245.043,9.470476);(285.0371,11.647619);(302.0425,21.238095);(317.0661,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.88286,1.1);(92.02968,2.5);(93.0321,9.2);(109.03302,1.5);(120.02583,2.1);(121.02672,8.8);(126.02301,1.1);(127.05017,2.0);(139.03835,4.8);(140.04417,1.1);(145.06075,1.2);(149.01778,2.1);(151.03879,4.7);(153.01678,100.0);(154.01955,10.6);(155.05182,2.3);(156.01669,1.3);(157.07199,1.1);(163.03371,1.9);(165.01682,3.2);(166.02335,2.6);(173.06552,2.1);(177.0573,2.1);(186.03189,1.3);(187.0432,1.7);(188.03741,1.3);(190.02704,1.1);(200.04807,2.5);(201.05217,8.3);(202.0547,1.2);(203.02217,3.2);(204.03893,1.8);(212.04938,1.3);(213.0553,2.1);(217.04308,9.4);(218.05577,3.4);(219.02809,4.4);(228.04143,20.4);(229.04778,54.4);(230.04195,3.0);(231.02635,6.5);(232.0312,2.3);(243.03076,2.9);(245.03752,15.5);(246.05214,23.5);(247.05171,3.5);(256.03995,2.4);(257.04221,24.9);(258.04431,9.8);(259.01923,1.3);(260.02924,5.6);(261.05249,1.9);(271.05362,1.1);(273.03998,20.1);(274.05161,37.8);(275.04611,8.0);(276.05737,1.2);(284.04349,3.2);(285.03619,32.6);(286.03818,4.7);(287.01736,1.7);(288.06354,1.6);(302.04175,84.6);(303.0481,14.3);(304.0368,2.3);(317.05765,32.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(56.20154,1.4);(65.03719,1.9);(67.01854,2.7);(68.99496,3.6);(75.20541,3.5);(89.0341,1.8);(91.01962,1.7);(92.02972,8.9);(93.02699,5.8);(94.03442,2.7);(96.01754,4.5);(97.02304,4.8);(100.03296,2.5);(103.05075,3.5);(104.05572,2.2);(105.03153,3.7);(107.40982,1.4);(108.01973,5.8);(109.02804,2.5);(112.01818,1.6);(115.05036,6.5);(116.05648,4.5);(118.04588,3.0);(119.18943,1.7);(121.02969,13.8);(122.03631,4.3);(123.04696,3.2);(124.01465,7.5);(125.02663,2.1);(126.02682,5.1);(127.05413,7.9);(128.04062,1.6);(129.02136,1.5);(129.67053,1.3);(131.04936,13.2);(132.03688,2.8);(133.06555,9.7);(135.04321,3.5);(136.01891,4.5);(137.06348,3.2);(143.04585,2.5);(144.05249,3.9);(145.02663,3.4);(146.03859,3.3);(147.04875,7.6);(148.04637,1.5);(149.02356,3.8);(150.02519,1.6);(151.04135,1.3);(152.00826,3.8);(153.01721,100.0);(154.01672,4.4);(155.0509,10.2);(156.05333,8.2);(157.03435,2.2);(158.65135,1.6);(160.01541,1.6);(161.01785,1.8);(163.04068,9.8);(171.04039,5.2);(172.01991,1.9);(173.05258,2.9);(174.03589,6.4);(175.04048,4.8);(177.0159,1.4);(178.02171,1.8);(179.0314,5.9);(181.00687,2.0);(183.04564,11.2);(187.04015,13.5);(188.04982,2.0);(188.90974,1.5);(190.03273,3.2);(191.03351,7.8);(199.03406,3.9);(200.0546,7.2);(201.05423,3.8);(202.01878,1.5);(203.03471,28.9);(204.03583,4.6);(211.04227,12.8);(216.0463,5.2);(217.05479,42.9);(218.04959,10.5);(219.02802,14.2);(220.02162,1.8);(224.07475,1.4);(224.99973,1.5);(227.03789,4.4);(228.04245,1.9);(229.05048,15.8);(230.05232,1.4);(231.02454,2.9);(233.04517,2.4);(239.03651,6.3);(245.04257,13.8);(246.03918,2.5);(247.04366,1.8);(257.0498,2.8);(260.03979,2.1);(271.30099,1.5);(272.0383,4.1);(273.04968,1.5);(287.01965,1.8);(302.02161,1.5);(317.06274,5.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(129.08864,1.83);(141.09175,1.37);(151.00076,1.37);(300.02567,93.05);(301.02808,1.37);(315.04816,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(300.02768,11.0);(301.03207,2.5);(314.03754,1.5);(315.05057,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02243,7.3);(65.00175,3.6);(83.01331,12.2);(84.01473,1.8);(92.01752,1.2);(96.02341,2.0);(107.0117,63.6);(108.01915,21.8);(109.02406,3.9);(120.0231,9.7);(121.99911,3.0);(123.00039,1.8);(124.01774,6.9);(125.02099,1.1);(127.11786,1.3);(135.01096,2.0);(136.01254,9.4);(141.02888,1.8);(146.03546,2.4);(148.01886,14.8);(149.98952,2.5);(151.00235,100.0);(152.00621,13.2);(153.0159,2.0);(159.04317,3.2);(161.02151,2.1);(163.0025,15.2);(164.00752,26.5);(165.01718,2.9);(172.04599,3.8);(174.02797,5.8);(175.03354,2.4);(176.01389,3.2);(179.00009,1.4);(183.03795,2.1);(184.05594,3.0);(186.02396,1.1);(189.01262,3.4);(190.99844,1.5);(192.00436,4.2);(198.02435,5.7);(199.04076,3.2);(200.04309,2.6);(202.02467,2.5);(203.03336,2.2);(210.02921,1.1);(211.03842,7.1);(212.03979,1.8);(215.03606,5.4);(216.04639,7.7);(226.03377,3.0);(227.03227,23.9);(228.03166,3.1);(229.00926,1.6);(231.03651,1.1);(232.04388,1.4);(239.03876,1.5);(241.01582,4.8);(242.01517,7.8);(243.02802,27.3);(244.03098,9.2);(255.0316,15.8);(256.03751,2.0);(271.0228,38.3);(272.02975,4.7);(273.0293,3.9);(282.01971,1.7);(283.02304,15.4);(284.0365,3.4);(299.01978,5.9);(300.02539,78.1);(301.02811,15.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02309,1.4);(107.01228,5.7);(108.02365,1.8);(124.01919,1.3);(148.01427,4.6);(151.00331,15.3);(152.00897,1.2);(163.00096,4.0);(164.01007,6.3);(192.00217,1.8);(227.03001,4.0);(243.02888,1.5);(255.02699,2.3);(271.02237,3.2);(272.02325,2.7);(283.01929,1.3);(300.02545,73.8);(301.02509,8.2);(315.04883,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02309,1.4);(107.01228,5.71);(108.02365,1.8);(124.01919,1.3);(148.01427,4.6);(151.00331,15.32);(152.00897,1.2);(163.00096,4.0);(164.01007,6.31);(192.00217,1.8);(199.04324,1.0);(211.0403,1.0);(215.03168,1.0);(227.03001,4.0);(228.03163,1.0);(243.02888,1.5);(255.02699,2.3);(256.02786,1.0);(271.02237,3.2);(272.02325,2.7);(283.01929,1.3);(299.02524,1.0);(300.02545,73.77);(301.02509,8.21);(303.03168,1.0);(313.03076,1.0);(315.04883,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02494,26.1);(65.00455,21.4);(68.65692,5.8);(78.01144,8.3);(79.01713,14.7);(83.01138,29.7);(91.01586,11.4);(91.98422,8.1);(94.00234,11.9);(96.37637,7.8);(101.03361,5.0);(103.02656,10.6);(104.02622,13.1);(107.01861,21.4);(108.01973,100.0);(109.02782,40.3);(113.03864,7.2);(115.01539,7.5);(116.02723,5.0);(117.03001,17.5);(120.02207,37.5);(124.0146,11.4);(127.046,11.1);(129.03206,5.3);(131.05203,5.8);(132.02525,13.1);(133.0231,14.4);(135.00822,58.9);(136.01295,25.8);(139.05824,5.6);(143.04755,36.7);(144.05257,5.6);(145.02415,7.2);(147.04373,9.4);(148.0143,34.4);(149.01898,8.3);(149.9975,11.7);(153.03426,5.6);(154.0442,11.4);(155.04939,29.7);(158.02899,6.9);(159.04303,11.4);(160.01692,9.2);(161.02802,7.2);(163.00275,71.7);(164.00531,8.6);(166.1158,6.4);(168.01921,5.0);(169.02838,15.3);(170.02628,6.9);(171.04657,26.1);(172.05023,8.3);(174.02834,11.9);(175.03868,6.7);(181.03078,13.1);(182.03954,16.4);(183.04192,15.8);(184.04916,6.9);(186.03419,7.8);(187.0356,12.8);(195.04939,11.9);(197.02336,13.3);(198.04057,10.8);(199.04311,30.0);(201.01328,12.2);(213.01633,13.6);(215.03111,17.8);(218.03838,6.4);(226.02321,11.1);(228.04713,6.1);(241.01314,9.2);(242.01186,9.4);(243.02428,23.9);(255.03453,6.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(92.02589,1.0);(121.03258,1.3);(153.01703,9.61);(201.05579,1.5);(217.05464,1.6);(228.04047,2.8);(229.0488,4.4);(245.03816,1.8);(246.04869,1.0);(257.04178,3.3);(273.04718,1.5);(274.04495,4.4);(285.03836,4.8);(302.04108,14.81);(303.04068,1.4);(317.06589,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.88286,1.1);(71.7207,1.0);(92.02968,2.5);(93.0321,9.21);(109.03302,1.5);(120.02583,2.1);(121.02672,8.81);(126.02301,1.1);(127.05017,2.0);(133.02989,1.0);(139.03835,4.8);(140.04417,1.1);(145.06075,1.2);(149.01778,2.1);(151.03879,4.7);(152.00941,1.0);(153.01678,100.0);(154.01955,10.61);(155.05182,2.3);(156.01669,1.3);(157.07199,1.1);(163.03371,1.9);(165.01682,3.2);(166.02335,2.6);(173.06552,2.1);(177.0573,2.1);(179.03418,1.0);(183.03435,1.0);(186.03189,1.3);(187.0432,1.7);(188.03741,1.3);(190.02704,1.1);(200.04807,2.5);(201.05217,8.31);(202.0547,1.2);(203.02217,3.2);(204.03893,1.8);(212.04938,1.3);(213.0553,2.1);(217.04308,9.41);(218.05577,3.4);(219.02809,4.4);(228.04143,20.42);(229.04778,54.35);(230.04195,3.0);(231.02635,6.51);(232.0312,2.3);(243.03076,2.9);(245.03752,15.52);(246.05214,23.52);(247.05171,3.5);(256.03995,2.4);(257.04221,24.92);(258.04431,9.81);(259.01923,1.3);(260.02924,5.61);(261.05249,1.9);(268.01306,1.0);(271.05362,1.1);(273.03998,20.12);(274.05161,37.84);(275.04611,8.01);(276.05737,1.2);(284.04349,3.2);(285.03619,32.63);(286.03818,4.7);(287.01736,1.7);(288.06354,1.6);(302.04175,84.58);(303.0481,14.31);(304.0368,2.3);(317.05765,32.63)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.03258,1.3);(153.01703,9.6);(201.05579,1.5);(217.05464,1.6);(228.04047,2.8);(229.0488,4.4);(245.03816,1.8);(257.04178,3.3);(273.04718,1.5);(274.04495,4.4);(285.03836,4.8);(302.04108,14.8);(303.04068,1.4);(317.06589,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.00361,2.3);(64.02521,2.3);(67.01946,5.0);(68.99841,11.7);(77.00169,2.3);(79.04797,1.8);(81.03809,4.4);(83.01603,8.0);(88.02563,2.3);(91.05667,2.6);(92.02425,16.3);(93.03594,11.9);(94.03354,1.8);(95.00779,2.7);(96.02489,6.8);(97.02927,2.2);(101.04155,2.8);(102.04896,1.8);(103.05384,7.7);(105.03528,4.4);(108.02075,10.1);(111.01543,4.1);(111.56148,1.7);(113.04539,2.9);(115.05519,9.3);(116.05838,5.2);(117.03683,3.2);(118.07706,2.7);(121.02279,11.0);(122.03697,3.8);(124.00654,2.4);(126.02782,3.0);(127.05519,17.0);(128.05754,2.6);(130.03043,2.7);(131.05383,4.7);(131.99237,3.2);(133.02939,3.6);(134.03349,2.4);(136.01414,2.7);(137.01971,5.2);(144.04993,2.8);(146.03624,2.0);(147.03821,9.0);(148.04845,6.3);(149.06485,3.2);(152.00877,2.0);(153.01785,100.0);(154.02309,9.4);(155.05042,10.5);(157.06256,2.0);(158.02994,2.7);(159.04323,3.1);(161.06067,14.3);(162.02756,2.8);(163.03751,6.4);(165.0112,2.7);(171.04411,2.1);(172.0488,9.6);(174.05719,2.3);(175.03105,4.3);(176.05006,3.9);(177.01038,5.0);(178.29062,1.6);(179.03201,5.5);(183.0451,5.1);(185.02388,3.0);(187.04102,4.1);(188.04128,3.0);(189.05203,5.4);(190.05565,5.9);(191.03297,4.7);(192.03229,2.1);(193.01796,2.5);(199.0368,8.4);(200.04834,4.1);(201.05696,5.5);(202.02734,1.9);(203.02873,33.9);(204.0329,9.1);(207.01942,2.0);(208.13739,2.5);(213.05035,1.6);(216.04849,2.1);(217.05061,65.8);(218.041,5.8);(219.02107,5.3);(227.03311,6.4);(228.03654,7.6);(229.04555,14.1);(230.06113,4.7);(231.04379,2.3);(239.0386,5.0);(245.04745,19.9);(246.04767,2.4);(247.06239,4.8);(259.03314,3.2);(273.14252,2.2);(286.04224,2.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.02483,1.1);(153.01804,8.11);(154.02052,1.5);(203.03366,1.4);(217.04773,1.9);(228.04347,3.3);(229.04549,4.4);(231.03055,1.1);(245.04436,1.9);(246.05281,1.0);(257.04721,1.7);(273.03424,1.9);(274.05032,4.1);(275.04529,1.1);(285.0387,4.2);(286.04352,1.2);(302.04718,8.91);(303.04834,1.2);(317.06525,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(317.06509,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.02483,1.1);(153.01804,8.1);(154.02052,1.5);(203.03366,1.4);(217.04773,1.9);(228.04347,3.3);(229.04549,4.4);(231.03055,1.1);(245.04436,1.9);(257.04721,1.7);(273.03424,1.9);(274.05032,4.1);(275.04529,1.1);(285.0387,4.2);(286.04352,1.2);(302.04718,8.9);(303.04834,1.2);(317.06525,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02213,6.81);(65.0034,4.5);(82.00331,1.4);(83.01131,13.11);(85.85486,1.0);(92.02348,2.1);(94.00408,2.4);(96.01954,1.0);(104.46557,1.1);(107.0133,55.16);(108.02013,14.41);(109.03138,1.3);(119.00974,3.1);(120.02064,5.51);(122.0016,5.61);(124.01325,6.21);(133.05013,1.1);(135.00327,3.7);(136.01396,17.12);(137.02437,1.4);(141.02704,1.0);(142.04059,1.0);(146.03705,1.8);(147.00978,1.3);(148.01463,29.53);(149.01634,2.5);(149.99287,6.81);(151.00273,100.0);(152.00681,14.91);(153.03735,1.2);(157.05914,1.0);(159.04024,2.7);(160.05281,1.4);(162.02721,2.5);(163.00293,28.13);(164.00964,33.33);(165.009,2.4);(169.05537,1.1);(170.04184,3.2);(172.02501,1.5);(173.02718,2.3);(174.02341,2.3);(176.00946,1.7);(178.2683,1.1);(182.04517,1.1);(183.03818,3.5);(184.04759,1.0);(186.03085,3.2);(187.03629,1.6);(188.05188,1.7);(189.01492,2.5);(190.02045,1.3);(192.00348,4.8);(197.0309,1.0);(198.02155,1.0);(199.04268,3.0);(200.04144,3.1);(201.01544,2.4);(202.03343,1.7);(203.0316,5.01);(204.04039,2.8);(211.0376,1.2);(215.03619,6.41);(216.03783,5.11);(226.01851,1.6);(227.034,21.72);(228.03702,7.41);(229.01357,1.8);(241.01178,3.9);(242.01044,1.0);(243.02893,25.13);(244.03009,3.2);(255.02614,17.12);(270.01569,1.9);(271.02438,32.13);(272.03546,6.51);(273.02734,1.7);(283.02335,22.12);(284.03668,5.61);(285.03442,1.5);(299.02505,2.2);(300.02509,61.96);(301.02771,16.02)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03677,1.3);(92.02357,4.3);(93.0326,6.8);(120.02187,1.8);(121.02704,10.7);(123.04406,1.5);(126.02856,2.3);(132.05222,1.1);(137.0193,1.5);(139.03946,3.1);(151.03644,11.0);(152.00931,1.3);(153.01755,100.0);(154.0247,6.5);(155.02693,2.4);(156.99506,1.3);(161.02802,1.1);(163.0419,1.3);(165.01581,2.6);(168.03291,2.1);(174.06544,1.2);(179.03302,3.6);(183.04266,2.3);(184.05026,1.4);(187.03743,2.6);(189.06616,1.1);(190.06703,1.6);(200.05312,1.2);(201.05432,9.1);(202.06021,2.5);(203.03229,10.6);(204.0336,1.2);(205.04976,1.1);(213.04521,1.3);(215.06252,1.1);(217.05334,9.1);(218.05612,5.7);(219.02919,5.8);(220.03946,1.4);(221.04474,1.3);(228.04329,17.1);(229.04822,35.6);(230.05159,8.7);(231.02246,5.5);(233.0506,2.6);(234.05188,1.3);(239.03755,3.7);(242.35013,1.3);(243.07169,1.9);(245.04407,13.6);(246.0518,16.1);(247.05339,3.2);(256.03677,1.7);(257.04745,21.6);(258.052,3.5);(260.03305,4.8);(271.06656,2.3);(273.03937,14.8);(274.04965,49.9);(275.0498,8.8);(276.04807,1.7);(284.03995,5.9);(285.03943,46.4);(286.043,5.4);(287.02869,1.3);(300.01358,1.4);(301.04254,3.0);(302.0437,84.0);(303.04489,14.2);(304.03354,2.0);(317.06525,29.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(317.06512,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02243,7.31);(65.00175,3.6);(83.01331,12.21);(84.01473,1.8);(86.51701,1.0);(92.01752,1.2);(96.02341,2.0);(107.0117,63.56);(108.01915,21.82);(109.02406,3.9);(120.0231,9.71);(121.99911,3.0);(123.00039,1.8);(124.01774,6.91);(125.02099,1.1);(127.11786,1.3);(129.03604,1.0);(135.01096,2.0);(136.01254,9.41);(141.02888,1.8);(146.03546,2.4);(148.01886,14.81);(149.02559,1.0);(149.98952,2.5);(151.00235,100.0);(152.00621,13.21);(153.0159,2.0);(159.04317,3.2);(161.02151,2.1);(163.0025,15.22);(164.00752,26.53);(165.01718,2.9);(172.04599,3.8);(174.02797,5.81);(175.03354,2.4);(176.01389,3.2);(179.00009,1.4);(183.03795,2.1);(184.05594,3.0);(186.02396,1.1);(189.01262,3.4);(190.99844,1.5);(192.00436,4.2);(198.02435,5.71);(199.04076,3.2);(200.04309,2.6);(202.02467,2.5);(203.03336,2.2);(210.02921,1.1);(211.03842,7.11);(212.03979,1.8);(215.03606,5.41);(216.04639,7.71);(226.03377,3.0);(227.03227,23.92);(228.03166,3.1);(229.00926,1.6);(231.03651,1.1);(232.04388,1.4);(239.03876,1.5);(241.01582,4.8);(242.01517,7.81);(243.02802,27.33);(244.03098,9.21);(251.69235,1.0);(255.0316,15.82);(256.03751,2.0);(271.0228,38.34);(272.02975,4.7);(273.0293,3.9);(282.01971,1.7);(283.02304,15.42);(284.0365,3.4);(299.01978,5.91);(300.02539,78.08);(301.02811,15.22)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03677,1.3);(92.02357,4.3);(93.0326,6.81);(120.02187,1.8);(121.02704,10.71);(123.04406,1.5);(126.02856,2.3);(132.05222,1.1);(137.0193,1.5);(139.03946,3.1);(151.03644,11.01);(152.00931,1.3);(153.01755,100.0);(154.0247,6.51);(155.02693,2.4);(156.99506,1.3);(161.02802,1.1);(163.0419,1.3);(165.01581,2.6);(166.03333,1.0);(168.03291,2.1);(174.06544,1.2);(179.03302,3.6);(183.04266,2.3);(184.05026,1.4);(187.03743,2.6);(189.06616,1.1);(190.06703,1.6);(199.54176,1.0);(200.05312,1.2);(201.05432,9.11);(202.06021,2.5);(203.03229,10.61);(204.0336,1.2);(205.04976,1.1);(213.04521,1.3);(215.06252,1.1);(217.05334,9.11);(218.05612,5.71);(219.02919,5.81);(220.03946,1.4);(221.04474,1.3);(228.04329,17.12);(229.04822,35.64);(230.05159,8.71);(231.02246,5.51);(233.0506,2.6);(234.05188,1.3);(239.03755,3.7);(242.35013,1.3);(243.07169,1.9);(245.04407,13.61);(246.0518,16.12);(247.05339,3.2);(256.03677,1.7);(257.04745,21.62);(258.052,3.5);(259.02652,1.0);(260.03305,4.8);(261.08191,1.0);(271.06656,2.3);(273.03937,14.81);(274.04965,49.95);(275.0498,8.81);(276.04807,1.7);(281.70526,1.0);(284.03995,5.91);(285.03943,46.45);(286.043,5.41);(287.02869,1.3);(300.01358,1.4);(301.04254,3.0);(302.0437,83.98);(303.04489,14.21);(304.03354,2.0);(317.06525,29.93)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(64.03722,1.7);(66.04682,2.6);(67.02142,1.4);(68.99948,16.9);(71.31617,1.4);(79.05634,3.2);(83.01327,2.3);(86.12091,1.6);(91.05388,4.4);(92.02482,6.1);(93.0297,9.8);(94.04248,8.6);(95.01749,2.3);(96.01472,3.7);(97.02935,3.1);(100.22189,2.0);(103.05312,6.1);(104.05048,3.3);(105.07258,5.3);(107.03465,2.3);(108.02205,12.2);(109.02513,6.0);(111.00761,4.3);(112.98728,1.9);(115.05534,19.8);(116.05754,1.6);(117.06799,8.5);(117.63656,3.8);(119.05459,3.6);(121.03111,21.8);(122.03902,4.4);(123.0461,6.3);(124.00995,3.8);(125.02413,2.5);(126.03236,4.8);(127.05464,17.7);(129.02751,1.9);(131.05203,3.1);(133.06606,6.5);(134.07173,1.6);(135.00462,1.3);(136.01337,2.0);(137.02373,6.5);(138.02191,2.0);(139.05238,2.0);(144.04791,6.6);(145.05476,1.6);(147.03972,6.3);(148.05777,4.0);(149.7773,1.7);(151.03661,4.3);(152.04657,1.3);(153.01996,100.0);(154.03265,5.1);(155.05081,16.3);(157.03537,3.2);(159.04153,12.2);(161.05731,8.8);(163.03442,4.1);(164.03883,2.6);(171.04633,6.0);(172.04971,4.3);(173.06487,9.6);(174.01576,3.1);(175.04686,5.8);(176.04964,7.9);(177.0482,4.4);(179.03004,1.8);(180.0338,2.1);(183.04193,9.9);(185.02786,1.9);(187.05057,3.4);(189.05498,4.0);(190.07126,1.4);(191.01305,2.1);(192.04752,1.6);(195.33965,1.3);(199.06053,1.6);(200.04466,5.6);(201.01991,4.0);(202.00627,3.8);(203.03775,24.5);(204.03627,3.1);(206.1761,2.2);(207.03206,1.9);(210.94244,1.7);(212.04652,2.4);(217.0518,37.0);(218.05429,3.3);(219.02412,6.1);(220.02811,3.0);(227.02599,5.6);(228.0499,6.7);(229.04933,15.9);(230.04564,4.6);(231.0336,2.7);(239.0322,3.0);(240.04268,2.6);(243.02234,2.3);(244.02945,1.3);(245.04626,23.5);(246.05363,4.7);(256.03839,1.4);(257.02328,1.9);(258.05042,2.7);(273.04605,4.4);(283.03247,1.6);(284.04129,1.6);(285.03824,7.4);(286.05234,3.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(92.02621,5.5);(93.0341,11.9);(94.03372,1.2);(94.7788,1.4);(111.01059,1.6);(120.02099,2.0);(121.0282,12.0);(129.06863,1.6);(136.01665,2.2);(139.03935,7.4);(151.04147,9.0);(152.011,1.4);(153.01709,84.2);(154.02469,4.1);(155.04477,2.7);(161.06187,2.1);(163.04114,1.1);(165.0186,4.4);(166.01308,1.8);(173.04822,1.8);(175.0762,1.8);(179.03928,1.5);(188.0464,1.2);(189.05533,1.3);(190.06459,2.1);(194.0282,1.5);(200.0491,7.3);(201.05455,10.8);(203.02945,3.6);(204.03754,1.5);(214.05957,1.1);(217.05276,15.7);(218.05554,11.7);(219.03267,1.2);(225.05417,1.7);(228.04253,22.0);(229.05115,51.3);(230.05299,4.7);(231.03143,8.9);(232.0363,1.4);(234.01688,1.3);(239.03983,4.6);(244.02971,1.2);(245.04497,33.6);(246.0529,26.0);(247.04799,4.7);(256.04199,6.0);(257.04593,23.1);(258.06012,2.0);(260.02979,6.5);(267.02551,1.1);(271.06949,2.9);(272.07605,3.1);(273.03894,27.9);(274.04617,55.1);(275.0462,7.8);(284.03915,8.0);(285.03937,41.1);(286.04208,5.8);(287.02585,2.0);(288.05679,2.2);(299.05084,1.2);(301.02951,2.6);(302.04343,100.0);(303.0499,10.0);(304.04984,2.2);(317.06772,28.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.01431,4.6);(108.02036,1.8);(120.01975,1.0);(124.0147,1.5);(136.01527,1.5);(148.0135,4.2);(149.9964,1.9);(151.00206,13.21);(152.00768,1.6);(163.00162,5.11);(164.00989,5.01);(183.04283,1.7);(192.00995,1.5);(227.03296,1.4);(228.04005,1.8);(242.01631,1.2);(243.02574,3.1);(244.02795,1.4);(255.0271,3.5);(256.03589,1.0);(271.02481,7.31);(272.03137,2.1);(283.02325,3.1);(300.02631,63.26);(301.03073,13.41);(302.02637,1.0);(313.03662,1.0);(314.03604,1.9);(315.04996,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.03009,1.1);(153.01868,9.0);(217.05571,2.2);(218.05125,1.1);(228.03714,1.6);(229.05042,4.3);(230.04704,1.1);(231.02774,1.2);(245.04297,1.7);(246.05231,1.2);(257.04349,2.8);(273.03986,1.5);(274.04828,2.3);(285.03952,5.1);(302.04318,12.3);(303.04706,1.3);(317.06647,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(317.02856,1.9);(317.065,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(300.02603,13.7);(301.02863,1.5);(313.0336,1.4);(315.04895,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02435,20.4);(65.00382,14.9);(66.0063,5.0);(73.99242,6.8);(80.02505,5.9);(83.01029,37.0);(87.02174,5.0);(91.01643,18.4);(94.00225,9.4);(95.0135,7.2);(96.02101,4.2);(107.00902,25.4);(108.02016,100.0);(109.03352,9.6);(113.04398,9.4);(117.03453,10.7);(119.01405,13.8);(120.02344,20.1);(121.02563,3.9);(123.0135,5.9);(124.01433,4.4);(127.0593,5.0);(131.01312,4.4);(132.01596,6.6);(133.02657,9.8);(135.00865,10.9);(136.01616,6.3);(140.28821,5.3);(142.0417,4.6);(143.04826,28.4);(145.02829,4.2);(147.04196,12.9);(148.02077,15.8);(155.04568,9.6);(157.03084,17.5);(158.03792,7.4);(159.05466,5.7);(161.0293,8.5);(163.00137,73.3);(164.01035,11.4);(167.04951,5.0);(169.036,4.2);(170.03903,4.2);(171.04332,41.6);(175.03757,4.8);(181.02832,9.0);(182.0356,13.6);(183.04584,42.7);(184.04657,9.2);(185.01878,5.7);(186.02737,9.2);(187.03943,23.2);(188.04079,6.6);(190.01718,4.4);(193.02313,4.4);(199.03741,16.4);(201.01944,23.6);(210.03165,5.3);(211.04782,5.5);(215.03175,5.3);(226.02867,7.9);(227.0242,4.4);(242.02013,6.3);(244.03168,5.0);(271.01157,5.3);(272.02454,4.4);(283.02341,11.8)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02258,6.3);(65.00274,2.0);(79.0144,2.2);(83.01376,6.9);(92.02335,2.0);(94.00668,2.1);(95.00864,1.8);(107.01243,49.0);(108.02135,31.1);(109.0239,1.6);(119.01666,2.4);(120.02102,12.0);(122.00241,2.8);(124.01657,11.3);(133.0262,1.2);(135.0052,7.7);(136.01604,15.1);(138.03197,1.4);(142.03995,1.1);(148.01501,30.5);(149.0195,4.2);(149.99263,6.3);(151.00241,100.0);(152.00871,13.8);(153.00757,1.9);(155.05164,1.8);(158.03789,1.4);(160.02003,3.2);(161.02789,1.8);(162.03346,2.8);(163.00038,22.0);(164.0107,37.7);(165.01517,2.2);(171.04358,3.5);(172.04814,7.9);(177.04953,1.4);(183.04358,3.8);(186.03053,5.4);(187.03816,3.0);(188.05142,2.3);(189.02281,2.6);(190.02228,2.1);(191.99899,2.9);(199.04111,8.4);(200.04419,7.5);(201.01485,1.1);(202.02151,1.4);(203.03413,3.4);(204.03619,2.8);(210.02654,1.5);(211.04166,1.9);(215.03001,3.4);(216.04211,11.5);(217.04707,2.1);(227.0345,25.9);(228.04335,4.4);(229.0387,1.5);(230.02261,1.3);(239.02852,1.9);(241.00403,3.1);(242.01854,5.4);(243.02637,24.0);(244.02515,4.3);(246.01151,1.4);(255.02429,14.4);(256.03311,2.7);(271.02328,30.0);(272.03293,3.7);(283.02283,17.8);(284.02744,1.6);(299.01862,6.1);(300.0257,70.6);(301.02625,12.7);(303.03378,1.8)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.01431,4.6);(108.02036,1.8);(124.0147,1.5);(136.01527,1.5);(148.0135,4.2);(149.9964,1.9);(151.00206,13.2);(152.00768,1.6);(163.00162,5.1);(164.00989,5.0);(183.04283,1.7);(192.00995,1.5);(227.03296,1.4);(228.04005,1.8);(242.01631,1.2);(243.02574,3.1);(244.02795,1.4);(255.0271,3.5);(271.02481,7.3);(272.03137,2.1);(283.02325,3.1);(300.02631,63.3);(301.03073,13.4);(314.03604,1.9);(315.04996,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02309,1.4);(107.01228,5.68);(108.02365,1.8);(124.01919,1.34);(148.01427,4.57);(151.00331,15.29);(152.00897,1.19);(163.00096,4.04);(164.01007,6.32);(192.00217,1.83);(199.04324,1.02);(227.03001,3.97);(243.02888,1.52);(255.02699,2.3);(271.02237,3.19);(272.02325,2.7);(283.01929,1.29);(300.02545,73.79);(301.02509,8.22);(315.04883,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02258,6.31);(65.00274,2.0);(79.0144,2.2);(80.02292,1.0);(83.01376,6.91);(92.02335,2.0);(94.00668,2.1);(95.00864,1.8);(107.01243,49.05);(108.02135,31.13);(109.0239,1.6);(111.24577,1.0);(119.01666,2.4);(120.02102,12.01);(121.03226,1.0);(122.00241,2.8);(124.01657,11.31);(133.0262,1.2);(135.0052,7.71);(136.01604,15.12);(138.03197,1.4);(142.03995,1.1);(143.04631,1.0);(147.04443,1.0);(148.01501,30.53);(149.0195,4.2);(149.99263,6.31);(151.00241,100.0);(152.00871,13.81);(153.00757,1.9);(155.05164,1.8);(158.03789,1.4);(160.02003,3.2);(161.02789,1.8);(162.03346,2.8);(163.00038,22.02);(164.0107,37.74);(165.01517,2.2);(171.04358,3.5);(172.04814,7.91);(177.04953,1.4);(182.03723,1.0);(183.04358,3.8);(186.03053,5.41);(187.03816,3.0);(188.05142,2.3);(189.02281,2.6);(190.02228,2.1);(191.99899,2.9);(199.04111,8.41);(200.04419,7.51);(201.01485,1.1);(202.02151,1.4);(203.03413,3.4);(204.03619,2.8);(210.02654,1.5);(211.04166,1.9);(215.03001,3.4);(216.04211,11.51);(217.04707,2.1);(226.01463,1.0);(227.0345,25.93);(228.04335,4.4);(229.0387,1.5);(230.02261,1.3);(239.02852,1.9);(241.00403,3.1);(242.01854,5.41);(243.02637,24.02);(244.02515,4.3);(246.01151,1.4);(255.02429,14.41);(256.03311,2.7);(271.02328,30.03);(272.03293,3.7);(283.02283,17.82);(284.02744,1.6);(299.01862,6.11);(300.0257,70.57);(301.02625,12.71);(303.03378,1.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0014,1.0);(83.01408,1.0);(107.0125,4.6);(108.01912,1.2);(136.01218,1.4);(148.01674,3.1);(149.02092,1.3);(151.00224,13.91);(152.00832,1.8);(163.00481,3.6);(164.01105,6.21);(183.04425,1.3);(186.02904,1.2);(216.04298,2.4);(227.03381,2.3);(228.03937,1.0);(242.01852,1.2);(243.0298,3.9);(244.03094,2.1);(254.01617,1.0);(255.0294,2.4);(256.02695,1.2);(271.02399,3.5);(272.03122,1.5);(283.01843,1.8);(300.02615,69.37);(301.02942,11.01);(313.03256,2.5);(314.03372,2.4);(315.05026,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(300.02777,12.5);(301.03564,1.6);(313.03662,1.7);(314.03571,1.3);(315.0506,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0125,4.6);(108.01912,1.2);(136.01218,1.4);(148.01674,3.1);(149.02092,1.3);(151.00224,13.9);(152.00832,1.8);(163.00481,3.6);(164.01105,6.2);(183.04425,1.3);(186.02904,1.2);(216.04298,2.4);(227.03381,2.3);(242.01852,1.2);(243.0298,3.9);(244.03094,2.1);(255.0294,2.4);(256.02695,1.2);(271.02399,3.5);(272.03122,1.5);(283.01843,1.8);(300.02615,69.4);(301.02942,11.0);(313.03256,2.5);(314.03372,2.4);(315.05026,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02213,6.8);(65.0034,4.5);(82.00331,1.4);(83.01131,13.1);(92.02348,2.1);(94.00408,2.4);(104.46557,1.1);(107.0133,55.2);(108.02013,14.4);(109.03138,1.3);(119.00974,3.1);(120.02064,5.5);(122.0016,5.6);(124.01325,6.2);(133.05013,1.1);(135.00327,3.7);(136.01396,17.1);(137.02437,1.4);(146.03705,1.8);(147.00978,1.3);(148.01463,29.5);(149.01634,2.5);(149.99287,6.8);(151.00273,100.0);(152.00681,14.9);(153.03735,1.2);(159.04024,2.7);(160.05281,1.4);(162.02721,2.5);(163.00293,28.1);(164.00964,33.3);(165.009,2.4);(169.05537,1.1);(170.04184,3.2);(172.02501,1.5);(173.02718,2.3);(174.02341,2.3);(176.00946,1.7);(178.2683,1.1);(182.04517,1.1);(183.03818,3.5);(186.03085,3.2);(187.03629,1.6);(188.05188,1.7);(189.01492,2.5);(190.02045,1.3);(192.00348,4.8);(199.04268,3.0);(200.04144,3.1);(201.01544,2.4);(202.03343,1.7);(203.0316,5.0);(204.04039,2.8);(211.0376,1.2);(215.03619,6.4);(216.03783,5.1);(226.01851,1.6);(227.034,21.7);(228.03702,7.4);(229.01357,1.8);(241.01178,3.9);(243.02893,25.1);(244.03009,3.2);(255.02614,17.1);(270.01569,1.9);(271.02438,32.1);(272.03546,6.5);(273.02734,1.7);(283.02335,22.1);(284.03668,5.6);(285.03442,1.5);(299.02505,2.2);(300.02509,62.0);(301.02771,16.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(92.02621,5.51);(93.0341,11.91);(94.03372,1.2);(94.7788,1.4);(109.02384,1.0);(111.01059,1.6);(120.02099,2.0);(121.0282,12.01);(124.04785,1.0);(129.06863,1.6);(135.04605,1.0);(136.01665,2.2);(139.03935,7.41);(147.05246,1.0);(151.04147,9.01);(152.011,1.4);(153.01709,84.18);(154.02469,4.1);(155.04477,2.7);(161.06187,2.1);(163.04114,1.1);(165.0186,4.4);(166.01308,1.8);(173.04822,1.8);(175.0762,1.8);(179.03928,1.5);(183.0475,1.0);(188.0464,1.2);(189.05533,1.3);(190.06459,2.1);(194.0282,1.5);(200.0491,7.31);(201.05455,10.81);(203.02945,3.6);(204.03754,1.5);(205.049,1.0);(214.05957,1.1);(217.05276,15.72);(218.05554,11.71);(219.03267,1.2);(225.05417,1.7);(228.04253,22.02);(229.05115,51.25);(230.05299,4.7);(231.03143,8.91);(232.0363,1.4);(234.01688,1.3);(239.03983,4.6);(240.0491,1.0);(243.06364,1.0);(244.02971,1.2);(245.04497,33.63);(246.0529,26.03);(247.04799,4.7);(256.04199,6.01);(257.04593,23.12);(258.06012,2.0);(259.04361,1.0);(260.02979,6.51);(267.02551,1.1);(271.06949,2.9);(272.07605,3.1);(273.03894,27.93);(274.04617,55.06);(275.0462,7.81);(284.03915,8.01);(285.03937,41.14);(286.04208,5.81);(287.02585,2.0);(288.05679,2.2);(290.25952,1.0);(299.05084,1.2);(301.02951,2.6);(302.04343,100.0);(303.0499,10.01);(304.04984,2.2);(317.06772,28.03)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02458,28.9);(65.00211,7.3);(81.00971,5.0);(83.01669,16.8);(91.01541,7.5);(95.01491,13.6);(96.0143,7.3);(97.0286,9.0);(107.01492,8.8);(108.0203,100.0);(109.02174,8.3);(113.04113,5.5);(117.0351,15.8);(118.03725,8.0);(119.00986,14.1);(120.0218,10.8);(122.00168,5.3);(125.03893,9.0);(129.03307,6.3);(130.04402,10.6);(133.02718,12.1);(134.03802,6.3);(135.0063,18.8);(136.01909,20.6);(142.039,5.0);(143.05164,11.6);(145.02861,25.9);(147.01732,6.3);(148.01202,31.7);(149.0498,8.8);(150.99997,5.0);(154.04225,7.8);(155.04584,21.1);(157.02798,5.5);(159.04286,20.4);(161.02391,13.3);(163.00475,31.7);(167.04579,5.0);(170.03546,5.8);(171.04497,11.8);(172.04265,5.0);(173.01851,15.1);(174.02214,6.8);(175.03745,6.3);(182.03552,32.4);(183.03078,10.6);(184.05055,5.0);(185.01993,8.0);(187.03917,26.9);(188.03705,9.5);(198.02844,35.2);(199.05247,4.5);(200.06252,6.5);(201.0202,7.8);(202.02405,7.3);(214.03111,12.8);(215.03348,5.8);(216.0262,4.5);(226.01297,8.5);(242.01596,12.3);(245.03336,6.0);(256.03375,6.8);(271.0415,6.3)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(33.03403978,0.0430670339);(55.01838972,0.0512348677);(57.03403978,0.1080881005);(73.0289544,0.0573977481);(99.04460446,0.1352728415);(111.0446045,0.0397848143);(137.023869,0.0976079963);(151.0395191,0.0356019085);(153.0187836,0.391675955);(181.0500838,0.228193814);(207.0293483,0.2585413325);(219.0293483,0.1175854844);(231.0293483,0.0562287658);(233.0449984,0.0941511852);(257.0086129,0.0366084692);(257.0449984,0.0411332893);(259.0242629,0.0945930308);(261.039913,0.2589841931);(261.0762985,0.0541908704);(263.0555631,0.3466606384);(269.0449984,0.1186521286);(273.039913,0.0632024833);(275.0555631,0.2640522201);(285.039913,1.720624222);(287.0555631,1.714335585);(289.0348276,0.274541444);(291.0504777,0.0921896198);(299.0555631,10.42156453);(299.0555631,1.86676964);(301.0348276,0.8943523231);(317.0661278,80.02311347)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(56.99765427,0.3720539733);(57.03403978,0.7477279628);(59.04968984,0.3122979877);(71.01330434,0.2087481937);(85.0289544,0.4167336518);(137.023869,1.001538543);(153.0187836,1.629708598);(163.0395191,0.3294193784);(165.0551691,0.4096560735);(167.0344337,0.8574721777);(219.0293483,0.3489595089);(231.0293483,0.6624745445);(233.0449984,0.4387738335);(245.0449984,0.3478616521);(255.0293483,0.4014245478);(257.0449984,1.101515178);(259.0242629,0.3853484321);(261.039913,0.5475446093);(263.0555631,0.5507054482);(267.0293483,0.331124067);(269.0449984,1.654135009);(273.039913,0.8091899996);(275.0555631,1.866243182);(285.039913,5.495798107);(287.0555631,9.187463235);(289.0348276,0.2959229586);(291.0504777,0.2389006496);(299.0555631,13.90937307);(299.0555631,2.564760657);(301.0348276,1.626181585);(317.0661278,50.95094319)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,1.381378838);(57.03403978,1.322262665);(67.01838972,2.622316107);(68.99765427,1.897167365);(69.03403978,4.126893047);(85.0289544,2.877440571);(95.01330434,1.75578439);(111.008219,1.513316714);(111.0446045,1.525336341);(121.0289544,3.10251787);(137.023869,10.11462727);(151.0395191,8.360315584);(153.0187836,13.46820864);(227.0344337,1.189122557);(231.0293483,2.626780381);(233.0449984,1.342076821);(243.0657338,1.554865591);(245.0449984,3.468987857);(255.0293483,1.631798674);(257.0449984,3.590326993);(261.0762985,1.193140113);(267.0293483,1.456635404);(269.0449984,6.75651669);(273.039913,1.926187787);(275.0555631,2.082154543);(283.0242629,1.398799117);(285.039913,1.733332259);(287.0555631,1.611878435);(299.0555631,8.231918761);(299.0555631,1.866712505);(301.0348276,2.271200113)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0618208693);(31.01838972,0.2741079558);(41.00273965,0.074954112);(55.01838972,0.1470419494);(57.03403978,0.1180293581);(97.0289544,0.0521801419);(109.0289544,0.0396250883);(135.008219,0.5150093808);(149.023869,0.9660987337);(151.0031336,1.393302016);(153.0187836,0.2643690126);(161.023869,0.0694461515);(163.0395191,1.082395403);(165.0187836,0.4204254801);(179.0344337,0.7103674467);(229.0136983,0.0603511019);(231.0293483,0.0390507743);(243.0293483,0.0689198827);(245.0449984,0.2383075701);(259.0242629,0.4375207063);(259.0606485,1.542168713);(261.039913,0.1306454387);(271.0242629,0.0662770197);(273.039913,0.4117070321);(283.0242629,0.4135144894);(285.039913,0.5827947142);(287.0191776,0.0603659786);(289.0348276,0.2223754074);(297.039913,2.181657655);(299.0191776,0.9456094977);(315.0504777,86.40956092)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(31.01838972,0.2691625843);(55.01838972,1.012869456);(83.01330434,0.2601606542);(97.0289544,0.481863616);(109.0289544,0.324685484);(135.008219,0.8075164556);(149.023869,0.4929033199);(151.0031336,4.508466159);(161.023869,0.3116690894);(163.0395191,2.306362378);(165.0187836,0.8348970807);(205.0136983,0.4866870447);(217.0136983,0.2546427699);(229.0136983,0.3307689697);(231.0293483,0.4453325355);(243.0293483,0.945916119);(245.0449984,0.8205962054);(254.9929628,1.072378114);(257.0086129,4.357485122);(259.0242629,2.710919961);(259.0606485,2.437809016);(267.0293483,0.2653210006);(271.0242629,0.5079220625);(273.039913,3.320025562);(283.0242629,2.340274041);(285.039913,2.386006047);(287.0191776,0.3589458602);(289.0348276,0.4297466731);(297.039913,3.847298316);(299.0191776,10.00439573);(315.0504777,51.06697257)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.314688502);(55.01838972,1.334498492);(65.00273965,3.687844682);(67.01838972,2.238522523);(83.01330434,4.069400247);(92.99765427,1.966185534);(109.0289544,4.350971114);(125.023869,2.473800761);(133.0289544,1.531227332);(135.008219,11.08038586);(147.008219,3.731411949);(151.0031336,7.15081326);(161.023869,2.026143326);(163.0395191,3.595470258);(165.0187836,3.385264006);(203.0344337,1.369752744);(217.0136983,3.22015677);(217.0500838,1.313233676);(229.0136983,2.768491692);(231.0293483,3.242019821);(243.0293483,3.766189401);(245.0449984,1.879283927);(255.0293483,1.649110219);(257.0086129,3.314507029);(259.0242629,1.520125219);(271.0242629,1.937692395);(273.039913,3.158883865);(283.0242629,1.802992231);(285.039913,2.774115968);(297.039913,2.644547561);(299.0191776,7.702269638)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(151.00367,5.0);(178.99859,3.0);(315.05102,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(107.01384,5.0);(135.04514,7.0);(151.00367,39.0);(178.99859,24.0);(285.04045,17.0);(287.0561,4.0);(315.05102,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(65.00328,71.0);(107.01384,39.0);(123.04514,57.0);(133.02949,57.0);(137.02441,79.0);(143.05023,54.0);(151.00367,100.0);(171.04514,61.0);(178.99859,18.0);(241.05062,50.0);(255.02989,39.0);(285.04045,68.0);(315.05102,50.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(317.06557,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(153.01823,3.0);(229.04953,3.0);(257.04444,3.0);(317.06557,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(68.9971,32.0);(85.0284,7.0);(121.0284,23.0);(137.0597,6.0);(139.03897,26.0);(139.03897,26.0);(153.01823,100.0);(167.03388,25.0);(257.04444,20.0);(317.06557,52.0)

Food Sources

	Name	Group
	Onion	Vegetables, Onion-family	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Quercetin	Acerola	Fruit, Tropical fruits	Publications	Show
Quercetin	American cranberry	Fruit, Berries	Publications	Show
Quercitrin	American cranberry	Fruit, Berries	Publications	Show
Quercetin	Angelica	Herbs and Spices	Publications	Show
Quercetin	Apple	Fruit, Pomes	Publications	Show
Quercitrin	Apple	Fruit, Pomes	Publications	Show
Quercetin	Apple juice	Beverages, Non-alcoholic	Publications	Show
Quercitrin	Apple juice	Beverages, Non-alcoholic	Publications	Show
Quercetin	Black tea	Teas and herbal teas	Publications	Show
Quercitrin	Black tea	Teas and herbal teas	Publications	Show
Quercetin	Blackberry	Fruit, Berries	Publications	Show
Quercetin	Broccoli	Vegetables, Cabbages	Publications	Show
Quercetin	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Quercetin	European cranberry	Fruit, Berries	Publications	Show
Quercetin	Green tea	Teas and herbal teas	Publications	Show
Quercetin	Lettuce	Vegetables, Leaf vegetables	Publications	Show
Quercitrin	Lettuce	Vegetables, Leaf vegetables	Publications	Show
Quercitrin	Olive, black	Fruit, Drupes	Publications	Show
Quercetin	Onion	Vegetables, Onion-family	Publications	Show
Quercetin 4'-O-glucoside	Onion	Vegetables, Onion-family	Publications	Show
Quercetin	Orange juice	Beverages, Non-alcoholic	Publications	Show
Quercetin	Parsnip	Vegetables, Root vegetables	Publications	Show
Quercitrin	Rooibos tea	Beverages, Non-alcoholic	Publications	Show
Quercetin	Tomato	Vegetables, Fruit vegetables	Publications	Show
Quercetin 4'-O-glucoside	red onion	Vegetables, Onion-family	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Quercetin	Isorhamnetin	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₆H₁₂O₇	316.058302726	Publications
Quercetin 4'-O-glucoside	Isorhamnetin	human	plasma, urine	host metabolism	<1h	Not Available	<1%	C₁₆H₁₂O₇	316.058302726	Publications
Quercetin 3'-O-glucoside	Isorhamnetin	human	plasma, urine	host metabolism	<1h	Not Available	<1%	C₁₆H₁₂O₇	316.058302726	Publications
Cranberry flavonols	Isorhamnetin	human	plasma, urine	unknown	Not Available	Not Available	Not Available	C₁₆H₁₂O₇	316.058302726	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Isorhamnetin