PhytoHub: Showing entry for Isosakuranetin

Isosakuranetin

Identification

PhytoHub ID

PHUB000382

Name

Isosakuranetin

Systematic Name

Not Available

Synonyms

4'-Methylnaringenin
Citrofoliol

CAS Number

Not Available

Average Mass

286.283

Monoisotopic Mass

286.084123551

Chemical Formula

C₁₆H₁₄O₅

IUPAC Name

5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

InChI Key

HMUJXQRRKBLVOO-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3

SMILES

COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.79e-02 g/l
LogS (ALOGPS): -3.51
LogP (ALOGPS): 2.95
Hydrogen Acceptors: 5
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 75.99000000000001
Refractivity: 75.77210000000001
Polarizability: 29.42165300213141
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.582032172551624
pKa (strongest acidic): 7.866812009334595
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 5118250
FooDB (Compounds): FDB000610

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavanones

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02194,0.04504505);(65.0029,0.07407407);(66.00471,0.00500501);(70.87411,0.00500501);(80.02554,0.07307307);(83.01317,0.06706707);(84.0152,0.00500501);(86.4189,0.00700701);(93.03041,0.00600601);(94.00885,0.00700701);(95.01023,0.01101101);(106.59607,0.00500501);(107.01291,0.21221221);(108.02052,0.68668669);(108.09657,0.00700701);(109.02293,0.04304304);(111.41836,0.00800801);(119.04591,0.01301301);(119.05301,0.01101101);(120.02266,0.00800801);(122.0007,0.01401401);(123.00928,0.01501502);(124.01566,0.02102102);(125.02332,0.01201201);(130.03696,0.01201201);(130.04385,0.01001001);(131.0443,0.00800801);(132.05814,0.03103103);(136.01537,1.0);(137.01953,0.06506507);(138.01457,0.00600601);(138.02124,0.00700701);(145.0338,0.00900901);(149.02541,0.00600601);(151.00249,0.3043043);(154.03998,0.00800801);(155.05171,0.00900901);(156.05307,0.02102102);(156.06714,0.01301301);(156.07266,0.00600601);(158.03459,0.03103103);(159.04504,0.1011011);(160.04272,0.01501502);(160.04886,0.03303303);(160.07042,0.00500501);(164.01033,0.6986987);(165.01337,0.04004004);(165.02269,0.02202202);(166.02048,0.00700701);(167.04868,0.00700701);(171.03688,0.00600601);(172.05099,0.01001001);(174.06256,0.00500501);(174.07094,0.00700701);(175.07535,0.11811812);(176.08699,0.00800801);(177.02011,0.03803804);(181.06648,0.00700701);(182.0401,0.00700701);(183.04465,0.07407407);(184.04753,0.01101101);(184.05688,0.02602603);(185.02469,0.00600601);(186.03383,0.14614615);(187.0408,0.06506507);(187.05493,0.00500501);(197.05734,0.01901902);(197.06807,0.00900901);(198.0686,0.02802803);(199.039,0.04404404);(199.07422,0.03003003);(200.04318,0.05605606);(200.0518,0.03003003);(201.04828,0.02102102);(201.05533,0.02402402);(202.04677,0.00600601);(202.06271,0.03103103);(207.05086,0.00600601);(211.03938,0.00700701);(215.07225,0.06406406);(216.07487,0.01201201);(225.05034,0.02802803);(226.05946,0.00900901);(226.06689,0.00800801);(227.03406,0.06806807);(227.07416,0.00900901);(228.0376,0.04304304);(228.05173,0.01101101);(229.04803,0.01201201);(241.07863,0.00700701);(242.05559,0.01001001);(243.06148,0.04804805);(243.07442,0.01501502);(252.04681,0.00900901);(254.70824,0.00700701);(269.03302,0.00900901);(269.04993,0.01501502);(285.07794,0.02502503)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02394,0.02902903);(65.00208,0.05805806);(66.00564,0.01901902);(79.9875,0.00600601);(80.02437,0.11111111);(83.01247,0.08008008);(83.01749,0.02002002);(84.01299,0.00800801);(89.04417,0.00500501);(91.99122,0.00600601);(96.01962,0.00800801);(107.01196,0.23823824);(108.02063,0.69469469);(109.02406,0.02502503);(109.03365,0.00800801);(117.03085,0.01301301);(118.57992,0.00500501);(119.05405,0.00500501);(120.02139,0.02002002);(121.99909,0.02402402);(123.00361,0.01001001);(124.01743,0.00900901);(130.0386,0.00700701);(132.05615,0.02102102);(136.01523,1.0);(137.01953,0.1011011);(138.02283,0.01001001);(143.04942,0.00900901);(145.02898,0.01401401);(145.03865,0.00600601);(145.06342,0.00800801);(147.05252,0.00700701);(149.99594,0.00600601);(151.00087,0.24924925);(152.0049,0.02302302);(155.89624,0.00600601);(156.05508,0.04804805);(157.05154,0.00900901);(158.02792,0.01201201);(158.034,0.01001001);(159.04428,0.1001001);(160.04825,0.0970971);(160.06372,0.00600601);(164.01019,0.74674675);(164.03052,0.01201201);(165.01401,0.07007007);(166.01859,0.00900901);(173.06006,0.02102102);(175.06796,0.02002002);(175.07582,0.07107107);(176.07478,0.01001001);(176.08582,0.00700701);(177.01817,0.02302302);(183.04218,0.05205205);(183.05484,0.00600601);(184.04646,0.01601602);(185.01823,0.02002002);(185.02531,0.01501502);(185.05034,0.00800801);(186.02023,0.01501502);(186.0295,0.07707708);(187.03773,0.11811812);(188.0351,0.00600601);(197.05978,0.05005005);(198.06866,0.03503504);(199.04056,0.02902903);(199.06914,0.02302302);(199.07768,0.00900901);(200.04317,0.02402402);(200.05075,0.05805806);(201.05499,0.08608609);(202.05687,0.01101101);(208.0453,0.00500501);(211.04555,0.00800801);(213.04474,0.00600601);(215.07196,0.04004004);(215.08511,0.01001001);(225.05382,0.01301301);(226.05753,0.01901902);(226.07161,0.00600601);(227.03043,0.02802803);(227.03859,0.06606607);(228.04042,0.08408408);(229.04094,0.01001001);(229.04982,0.00900901);(241.05182,0.01001001);(242.05469,0.01301301);(243.06215,0.04404404);(243.0703,0.03603604);(252.03334,0.00800801);(254.05222,0.00700701);(269.04135,0.01701702);(270.05157,0.01601602);(270.06604,0.00600601);(285.06882,0.01701702);(285.0817,0.03303303)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.00188,0.01001001);(83.01249,0.01001001);(107.01089,0.03703704);(108.01913,0.05505506);(136.01398,0.11011011);(137.01988,0.01101101);(151.00212,0.07307307);(159.04335,0.01701702);(160.04593,0.00700701);(164.0098,0.25825826);(165.01172,0.02402402);(175.07162,0.02702703);(177.01744,0.00600601);(184.04454,0.00500501);(184.05219,0.00500501);(186.02841,0.01401401);(186.03508,0.00500501);(187.03604,0.00700701);(198.06926,0.01801802);(199.03601,0.00700701);(199.0766,0.01901902);(200.04875,0.01401401);(201.05673,0.00800801);(215.07185,0.00900901);(217.08157,0.00900901);(226.06326,0.00800801);(227.03331,0.00900901);(228.03758,0.00900901);(228.04688,0.00600601);(241.0883,0.01301301);(243.06342,0.08008008);(244.07437,0.00700701);(269.04681,0.00500501);(270.05264,0.05105105);(271.05884,0.00700701);(285.07486,1.0);(285.12231,0.01601602)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02309,0.06006006);(65.00305,0.03103103);(80.0259,0.07807808);(81.02759,0.00700701);(83.01226,0.11411411);(94.00372,0.00600601);(95.01337,0.01701702);(96.01899,0.00500501);(106.04017,0.00600601);(107.01279,0.25825826);(108.01989,0.85085085);(108.53114,0.00700701);(108.99155,0.00800801);(109.02224,0.05405405);(109.03233,0.00700701);(110.0227,0.00800801);(110.02897,0.00700701);(119.04797,0.01401401);(119.05215,0.00700701);(120.02043,0.02802803);(122.00046,0.02302302);(123.00965,0.02402402);(124.01674,0.01501502);(130.04306,0.00900901);(132.01906,0.01101101);(132.05585,0.03503504);(133.06427,0.01101101);(136.01547,1.0);(136.96501,0.00800801);(137.0184,0.10610611);(138.02295,0.00600601);(142.03703,0.00800801);(143.04536,0.00800801);(145.02931,0.02602603);(146.03658,0.01001001);(147.04568,0.00600601);(147.078,0.00800801);(151.00215,0.25025025);(152.00449,0.01401401);(155.05009,0.00700701);(156.05727,0.04004004);(157.05737,0.01801802);(158.0358,0.03803804);(159.04402,0.10710711);(160.04997,0.07107107);(161.05635,0.01101101);(164.00998,0.63863864);(165.01511,0.05905906);(167.0432,0.00900901);(167.05251,0.00700701);(169.06657,0.00900901);(170.0735,0.00700701);(171.0489,0.00500501);(174.06735,0.00600601);(175.07614,0.06606607);(176.07326,0.00800801);(176.07936,0.02502503);(177.01648,0.02002002);(178.02319,0.00500501);(181.07452,0.00800801);(182.06892,0.00800801);(182.43399,0.00500501);(183.04454,0.06006006);(184.05313,0.02502503);(185.01784,0.01601602);(186.03174,0.11011011);(187.03812,0.07707708);(188.05368,0.00500501);(197.05637,0.01501502);(197.07074,0.00700701);(198.06313,0.02602603);(198.07401,0.01801802);(199.03848,0.04504505);(199.0685,0.01101101);(200.04469,0.11411411);(201.05354,0.05405405);(202.05672,0.01501502);(202.0708,0.00800801);(215.06943,0.06106106);(217.07938,0.00800801);(217.09703,0.01001001);(225.05708,0.02502503);(226.05321,0.00800801);(227.03175,0.07207207);(227.05237,0.00600601);(228.03743,0.06506507);(229.04492,0.00600601);(241.05229,0.01001001);(243.06593,0.07707708);(244.06981,0.02502503);(269.04703,0.03803804);(270.04874,0.01201201);(285.06769,0.02702703);(285.08151,0.00500501)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(80.02614,0.00700701);(83.01224,0.01601602);(107.01209,0.03303303);(108.01829,0.05005005);(109.02138,0.00700701);(136.01401,0.11111111);(137.01807,0.00800801);(151.00266,0.08308308);(152.00551,0.00600601);(159.04314,0.01001001);(164.00906,0.25625626);(165.01465,0.03203203);(175.0739,0.02802803);(177.019,0.00600601);(183.04752,0.00700701);(186.03143,0.01201201);(187.03172,0.00500501);(187.03893,0.00600601);(198.06847,0.00600601);(199.04128,0.00500501);(200.04591,0.00700701);(201.05617,0.01001001);(217.08293,0.00800801);(226.06021,0.00700701);(227.033,0.00900901);(228.0428,0.01201201);(241.08649,0.00600601);(243.06607,0.07907908);(244.0685,0.01401401);(270.04947,0.04204204);(271.05188,0.00700701);(285.07498,1.0);(285.12338,0.01501502)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.0043,0.00700701);(80.02505,0.00700701);(83.01278,0.01301301);(107.01305,0.02802803);(108.01929,0.04604605);(136.01479,0.11511512);(137.01923,0.01101101);(151.00168,0.07507508);(159.04561,0.00800801);(164.00969,0.28928929);(165.01387,0.02902903);(175.0746,0.02302302);(183.04572,0.00800801);(186.02631,0.00800801);(186.03613,0.00500501);(187.03987,0.01201201);(198.07031,0.00800801);(199.07417,0.00800801);(201.05469,0.01001001);(215.06845,0.01301301);(217.08551,0.01301301);(226.05704,0.00900901);(227.03545,0.00900901);(228.04382,0.01701702);(241.08958,0.01401401);(243.06505,0.06606607);(244.06261,0.00800801);(270.05167,0.04504505);(271.05518,0.00900901);(285.0759,1.0);(285.12558,0.01101101)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02365,0.04704705);(63.0276,0.07907908);(65.00094,0.07907908);(65.00614,0.15315315);(80.02375,0.49349349);(80.02933,0.23523524);(83.01236,0.17817818);(94.00096,0.09209209);(95.01048,0.07207207);(108.01901,1.0);(115.05099,0.06906907);(116.02567,0.06206206);(117.03371,0.56156156);(118.03472,0.05205205);(119.04405,0.20520521);(119.0519,0.41641642);(120.05252,0.06406406);(121.03494,0.05205205);(125.0203,0.0970971);(126.02094,0.05405405);(127.05536,0.07407407);(129.03572,0.06206206);(130.03745,0.09409409);(131.04309,0.06706707);(132.05847,0.06206206);(132.06628,0.04504505);(136.01877,0.05905906);(141.03728,0.18318318);(143.03487,0.06706707);(143.04645,0.07407407);(143.05692,0.05405405);(145.02792,0.06706707);(154.04549,0.04504505);(155.04436,0.15615616);(155.61401,0.04504505);(157.06042,0.07407407);(158.03317,0.18618619);(159.0448,0.55655656);(163.00456,0.13113113);(167.83205,0.05905906);(169.03117,0.05005005);(173.06212,0.05705706);(179.04768,0.05705706);(182.03722,0.11911912);(183.04544,0.26226226);(185.02538,0.08908909);(186.02466,0.08208208);(187.03607,0.05405405);(196.04445,0.08408408);(199.03317,0.06906907);(199.0446,0.14614615)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.01993,0.12312312);(63.02698,0.11411411);(65.00208,0.72572573);(79.02041,0.04504505);(80.02666,0.40740741);(83.01253,0.23123123);(96.02149,0.06206206);(104.02536,0.07107107);(107.0099,0.32832833);(108.02005,1.0);(109.02633,0.03903904);(116.02232,0.12312312);(117.03454,0.5035035);(118.04122,0.07107107);(119.04825,0.50550551);(129.0325,0.04504505);(130.04189,0.0990991);(136.01526,0.15915916);(138.05145,0.05005005);(141.03337,0.10610611);(142.04259,0.05805806);(143.04353,0.09109109);(143.05702,0.07507508);(145.02602,0.04104104);(149.02202,0.04504505);(151.0047,0.07807808);(153.98628,0.04104104);(154.03915,0.08608609);(155.03802,0.04304304);(155.05048,0.05805806);(155.14517,0.04304304);(155.22218,0.03903904);(156.047,0.05405405);(156.05728,0.05205205);(157.02338,0.05205205);(158.04266,0.04304304);(159.04659,0.61861862);(159.82239,0.03903904);(160.0509,0.07507508);(164.00438,0.03903904);(164.01344,0.04104104);(171.04515,0.04304304);(173.06206,0.05005005);(182.03355,0.11411411);(183.01273,0.05005005);(183.03882,0.10810811);(183.04887,0.06506507);(185.01624,0.04304304);(185.03337,0.05005005);(186.02357,0.04704705);(187.03592,0.04304304);(198.03166,0.09109109);(199.03101,0.08808809);(199.04404,0.06006006);(200.04637,0.03903904);(201.04915,0.04704705);(211.04503,0.08008008);(226.03186,0.04504505);(227.03358,0.13813814)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02362,0.08108108);(64.02603,0.05405405);(65.00133,0.36536537);(80.02754,0.10810811);(83.01451,0.03203203);(88.03094,0.06006006);(89.03726,0.04904905);(91.01437,0.03803804);(94.00058,0.04004004);(96.02159,0.03203203);(106.04033,0.04004004);(107.01897,0.07007007);(108.01981,1.0);(109.02682,0.08308308);(116.02841,0.1991992);(117.0301,0.26726727);(117.03744,0.05205205);(118.03879,0.03603604);(119.04865,0.20820821);(120.02337,0.04504505);(121.03319,0.04904905);(123.00594,0.04504505);(123.01069,0.04504505);(127.0572,0.04204204);(129.02548,0.03203203);(129.037,0.04004004);(131.04382,0.06706707);(131.05072,0.11011011);(132.01886,0.05205205);(136.0144,0.0970971);(141.03528,0.07007007);(143.03712,0.04004004);(143.04611,0.11411411);(144.05304,0.03403403);(145.03082,0.10610611);(151.04407,0.03803804);(154.03802,0.04504505);(157.03104,0.04504505);(158.03398,0.19319319);(159.03691,0.03603604);(159.04904,0.11211211);(159.05679,0.03103103);(160.04698,0.03603604);(169.0681,0.04704705);(181.03114,0.04504505);(182.03859,0.03803804);(183.03764,0.07807808);(183.04839,0.08108108);(184.05341,0.06106106);(185.02357,0.03203203);(186.02815,0.09409409);(187.04485,0.05405405);(197.06021,0.07007007);(199.04347,0.12512513);(201.0495,0.04204204);(227.03664,0.07907908)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(83.013,0.013);(107.013,0.028);(108.019,0.046);(136.015,0.115);(137.019,0.011);(151.002,0.075);(164.01,0.289);(165.014,0.029);(175.075,0.023);(187.04,0.012);(201.055,0.01);(215.068,0.013);(217.086,0.013);(228.044,0.017);(241.09,0.014);(243.065,0.066);(270.052,0.045);(285.076,1.0);(285.126,0.011)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.024,0.029);(65.002,0.058);(66.006,0.019);(80.024,0.111);(83.012,0.08);(83.017,0.02);(107.012,0.238);(108.021,0.695);(109.024,0.025);(117.031,0.013);(120.021,0.02);(121.999,0.024);(123.004,0.01);(132.056,0.021);(136.015,1.0);(137.02,0.101);(138.023,0.01);(145.029,0.014);(151.001,0.249);(152.005,0.023);(156.055,0.048);(158.028,0.012);(158.034,0.01);(159.044,0.1);(160.048,0.097);(164.01,0.747);(164.031,0.012);(165.014,0.07);(173.06,0.021);(175.068,0.02);(175.076,0.071);(176.075,0.01);(177.018,0.023);(183.042,0.052);(184.046,0.016);(185.018,0.02);(185.025,0.015);(186.02,0.015);(186.03,0.077);(187.038,0.118);(197.06,0.05);(198.069,0.035);(199.041,0.029);(199.069,0.023);(200.043,0.024);(200.051,0.058);(201.055,0.086);(202.057,0.011);(215.072,0.04);(215.085,0.01);(225.054,0.013);(226.058,0.019);(227.03,0.028);(227.039,0.066);(228.04,0.084);(229.041,0.01);(241.052,0.01);(242.055,0.013);(243.062,0.044);(243.07,0.036);(269.041,0.017);(270.052,0.016);(285.069,0.017);(285.082,0.033)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.024,0.081);(64.026,0.054);(65.001,0.365);(80.028,0.108);(83.015,0.032);(88.031,0.06);(89.037,0.049);(91.014,0.038);(94.001,0.04);(96.022,0.032);(106.04,0.04);(107.019,0.07);(108.02,1.0);(109.027,0.083);(116.028,0.199);(117.03,0.267);(117.037,0.052);(118.039,0.036);(119.049,0.208);(120.023,0.045);(121.033,0.049);(123.006,0.045);(123.011,0.045);(127.057,0.042);(129.025,0.032);(129.037,0.04);(131.044,0.067);(131.051,0.11);(132.019,0.052);(136.014,0.097);(141.035,0.07);(143.037,0.04);(143.046,0.114);(144.053,0.034);(145.031,0.106);(151.044,0.038);(154.038,0.045);(157.031,0.045);(158.034,0.193);(159.037,0.036);(159.049,0.112);(159.057,0.031);(160.047,0.036);(169.068,0.047);(181.031,0.045);(182.039,0.038);(183.038,0.078);(183.048,0.081);(184.053,0.061);(185.024,0.032);(186.028,0.094);(187.045,0.054);(197.06,0.07);(199.043,0.125);(201.05,0.042);(227.037,0.079)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.002,0.01);(83.012,0.01);(107.011,0.037);(108.019,0.055);(136.014,0.11);(137.02,0.011);(151.002,0.073);(159.043,0.017);(164.01,0.258);(165.012,0.024);(175.072,0.027);(186.028,0.014);(198.069,0.018);(199.077,0.019);(200.049,0.014);(241.088,0.013);(243.063,0.08);(270.053,0.051);(285.075,1.0);(285.122,0.016)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.022,0.045);(65.003,0.074);(80.026,0.073);(83.013,0.067);(95.01,0.011);(107.013,0.212);(108.021,0.687);(109.023,0.043);(119.046,0.013);(119.053,0.011);(122.001,0.014);(123.009,0.015);(124.016,0.021);(125.023,0.012);(130.037,0.012);(130.044,0.01);(132.058,0.031);(136.015,1.0);(137.02,0.065);(151.002,0.304);(156.053,0.021);(156.067,0.013);(158.035,0.031);(159.045,0.101);(160.043,0.015);(160.049,0.033);(164.01,0.699);(165.013,0.04);(165.023,0.022);(172.051,0.01);(175.075,0.118);(177.02,0.038);(183.045,0.074);(184.048,0.011);(184.057,0.026);(186.034,0.146);(187.041,0.065);(197.057,0.019);(198.069,0.028);(199.039,0.044);(199.074,0.03);(200.043,0.056);(200.052,0.03);(201.048,0.021);(201.055,0.024);(202.063,0.031);(215.072,0.064);(216.075,0.012);(225.05,0.028);(227.034,0.068);(228.038,0.043);(228.052,0.011);(229.048,0.012);(242.056,0.01);(243.061,0.048);(243.074,0.015);(269.05,0.015);(285.078,0.025)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.02,0.123);(63.027,0.114);(65.002,0.726);(79.02,0.045);(80.027,0.407);(83.013,0.231);(96.021,0.062);(104.025,0.071);(107.01,0.328);(108.02,1.0);(109.026,0.039);(116.022,0.123);(117.035,0.504);(118.041,0.071);(119.048,0.506);(129.032,0.045);(130.042,0.099);(136.015,0.159);(138.051,0.05);(141.033,0.106);(142.043,0.058);(143.044,0.091);(143.057,0.075);(145.026,0.041);(149.022,0.045);(151.005,0.078);(153.986,0.041);(154.039,0.086);(155.038,0.043);(155.05,0.058);(155.145,0.043);(155.222,0.039);(156.047,0.054);(156.057,0.052);(157.023,0.052);(158.043,0.043);(159.047,0.619);(159.822,0.039);(160.051,0.075);(164.004,0.039);(164.013,0.041);(171.045,0.043);(173.062,0.05);(182.034,0.114);(183.013,0.05);(183.039,0.108);(183.049,0.065);(185.016,0.043);(185.033,0.05);(186.024,0.047);(187.036,0.043);(198.032,0.091);(199.031,0.088);(199.044,0.06);(200.046,0.039);(201.049,0.047);(211.045,0.08);(226.032,0.045);(227.034,0.138)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(83.012,0.016);(107.012,0.033);(108.018,0.05);(136.014,0.111);(151.003,0.083);(159.043,0.01);(164.009,0.256);(165.015,0.032);(175.074,0.028);(186.031,0.012);(201.056,0.01);(228.043,0.012);(243.066,0.079);(244.068,0.014);(270.049,0.042);(285.075,1.0);(285.123,0.015)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.023,0.06);(65.003,0.031);(80.026,0.078);(83.012,0.114);(95.013,0.017);(107.013,0.258);(108.02,0.851);(109.022,0.054);(119.048,0.014);(120.02,0.028);(122.0,0.023);(123.01,0.024);(124.017,0.015);(132.019,0.011);(132.056,0.035);(133.064,0.011);(136.015,1.0);(137.018,0.106);(145.029,0.026);(146.037,0.01);(151.002,0.25);(152.004,0.014);(156.057,0.04);(157.057,0.018);(158.036,0.038);(159.044,0.107);(160.05,0.071);(161.056,0.011);(164.01,0.639);(165.015,0.059);(175.076,0.066);(176.079,0.025);(177.016,0.02);(183.045,0.06);(184.053,0.025);(185.018,0.016);(186.032,0.11);(187.038,0.077);(197.056,0.015);(198.063,0.026);(198.074,0.018);(199.038,0.045);(199.068,0.011);(200.045,0.114);(201.054,0.054);(202.057,0.015);(215.069,0.061);(217.097,0.01);(225.057,0.025);(227.032,0.072);(228.037,0.065);(241.052,0.01);(243.066,0.077);(244.07,0.025);(269.047,0.038);(270.049,0.012);(285.068,0.027)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.024,0.047);(63.028,0.079);(65.001,0.079);(65.006,0.153);(80.024,0.493);(80.029,0.235);(83.012,0.178);(94.001,0.092);(95.01,0.072);(108.019,1.0);(115.051,0.069);(116.026,0.062);(117.034,0.562);(118.035,0.052);(119.044,0.205);(119.052,0.416);(120.053,0.064);(121.035,0.052);(125.02,0.097);(126.021,0.054);(127.055,0.074);(129.036,0.062);(130.037,0.094);(131.043,0.067);(132.058,0.062);(132.066,0.045);(136.019,0.059);(141.037,0.183);(143.035,0.067);(143.046,0.074);(143.057,0.054);(145.028,0.067);(154.045,0.045);(155.044,0.156);(155.614,0.045);(157.06,0.074);(158.033,0.186);(159.045,0.557);(163.005,0.131);(167.832,0.059);(169.031,0.05);(173.062,0.057);(179.048,0.057);(182.037,0.119);(183.045,0.262);(185.025,0.089);(186.025,0.082);(187.036,0.054);(196.044,0.084);(199.033,0.069);(199.045,0.146)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(151.004,0.017);(164.011,0.051);(243.066,0.019);(270.054,0.016);(285.077,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.024,0.032);(65.002,0.022);(65.005,0.015);(83.014,0.058);(107.014,0.085);(108.021,0.063);(136.016,0.172);(151.003,0.184);(164.011,0.635);(164.122,0.015);(164.152,0.011);(175.075,0.042);(186.031,0.011);(187.036,0.012);(198.068,0.011);(199.071,0.015);(199.078,0.014);(200.049,0.015);(201.054,0.025);(215.07,0.021);(217.084,0.027);(226.06,0.023);(228.04,0.027);(241.085,0.032);(243.066,0.206);(270.053,0.13);(285.076,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(62.018,0.011);(79.021,0.012);(100.997,0.012);(132.955,0.014);(133.944,0.013);(135.077,0.013);(137.06,0.01);(144.988,0.028);(150.949,0.011);(153.014,0.172);(153.02,0.1);(153.029,0.011);(153.077,0.013);(161.055,0.094);(161.061,0.047);(161.115,0.012);(162.955,0.011);(163.958,0.021);(174.951,0.019);(176.953,0.013);(206.985,0.014);(206.994,0.015);(207.967,0.013);(208.869,0.011);(208.906,0.031);(208.952,0.047);(208.971,0.024);(208.98,0.02);(208.996,0.037);(209.005,0.033);(209.031,0.016);(209.072,0.011);(209.08,0.01);(209.962,0.053);(209.976,0.013);(254.953,0.023);(254.97,0.016);(268.925,0.011);(268.945,0.012);(269.072,0.016);(286.829,0.015);(286.882,0.011);(286.91,0.011);(286.926,0.014);(286.961,0.019);(287.019,0.224);(287.066,0.013);(287.09,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(53.039,0.02);(61.01,0.092);(61.014,0.03);(61.019,0.013);(62.017,0.028);(62.02,0.028);(63.017,0.014);(67.022,0.011);(68.991,0.011);(75.016,0.011);(79.017,0.036);(79.025,0.013);(79.056,0.011);(82.982,0.016);(84.96,0.023);(103.008,0.014);(105.978,0.035);(105.984,0.019);(111.04,0.014);(113.063,0.01);(118.037,0.018);(121.07,0.019);(126.943,0.011);(128.985,0.02);(129.011,0.014);(130.941,0.019);(130.962,0.023);(130.99,0.019);(132.952,0.012);(132.963,0.018);(133.052,0.013);(133.064,0.082);(133.091,0.01);(133.947,0.075);(134.952,0.045);(134.964,0.018);(134.974,0.02);(134.996,0.014);(135.04,0.029);(135.076,0.029);(136.97,0.018);(137.057,0.034);(137.47,0.011);(137.476,0.023);(140.89,0.014);(140.937,0.01);(144.978,0.013);(144.993,0.017);(145.003,0.024);(145.016,0.011);(145.486,0.012);(145.988,0.013);(149.0,0.011);(150.943,0.033);(150.952,0.052);(151.04,0.011);(153.014,0.248);(153.019,1.0);(153.07,0.053);(153.083,0.032);(153.093,0.039);(153.104,0.018);(153.127,0.014);(153.138,0.023);(153.155,0.01);(153.168,0.012);(153.18,0.015);(153.209,0.015);(153.226,0.012);(153.256,0.01);(153.344,0.011);(154.917,0.011);(155.021,0.012);(161.057,0.397);(161.062,0.292);(161.104,0.037);(161.115,0.021);(161.127,0.018);(161.148,0.027);(161.164,0.014);(161.177,0.014);(161.2,0.012);(161.24,0.013);(161.252,0.011);(162.944,0.02);(162.964,0.023);(162.977,0.01);(163.955,0.035);(164.882,0.011);(164.932,0.014);(164.977,0.019);(167.035,0.03);(167.142,0.01);(170.933,0.013);(171.086,0.01);(172.923,0.014);(172.935,0.018);(173.589,0.011);(174.941,0.018);(174.951,0.022);(174.989,0.01);(176.952,0.024);(177.072,0.01);(177.95,0.01);(178.952,0.025);(179.005,0.017);(179.026,0.041);(179.068,0.011);(180.918,0.011);(180.958,0.01);(188.932,0.011);(189.044,0.01);(190.902,0.014);(190.942,0.034);(197.117,0.011);(203.057,0.02);(203.07,0.016);(207.964,0.012);(208.003,0.015);(208.901,0.029);(208.91,0.02);(208.944,0.022);(208.956,0.014);(209.002,0.312);(209.016,0.031);(209.038,0.013);(209.054,0.023);(209.076,0.018);(209.11,0.012);(209.511,0.015);(215.123,0.011);(222.893,0.01);(226.217,0.012);(231.061,0.016);(233.012,0.01);(234.445,0.01);(238.055,0.012);(239.057,0.012);(240.789,0.013);(243.008,0.011);(245.082,0.012);(267.102,0.012);(268.954,0.012);(268.97,0.012);(269.0,0.018);(269.073,0.014);(269.084,0.016);(269.267,0.011);(269.912,0.011);(272.058,0.011);(286.084,0.02);(286.328,0.01);(286.782,0.013);(287.02,0.056);(287.044,0.027);(287.064,0.037);(287.084,0.21);(287.096,0.103);(287.121,0.067)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(51.024,0.01);(63.024,0.405);(63.073,0.013);(63.095,0.013);(65.004,0.517);(65.073,0.023);(80.027,0.365);(80.066,0.014);(83.014,0.217);(83.057,0.011);(94.004,0.012);(96.02,0.012);(107.014,0.263);(107.105,0.014);(108.022,1.0);(108.088,0.016);(108.1,0.011);(108.116,0.02);(108.146,0.011);(108.158,0.01);(108.188,0.013);(116.023,0.012);(117.029,0.012);(117.033,0.037);(119.048,0.018);(119.052,0.02);(120.018,0.02);(124.012,0.022);(124.018,0.012);(130.039,0.018);(132.052,0.014);(132.058,0.015);(136.017,0.512);(145.03,0.043);(151.004,0.139);(155.049,0.015);(156.059,0.03);(157.062,0.012);(158.036,0.034);(159.045,0.149);(160.049,0.017);(164.011,0.213);(164.053,0.011);(164.068,0.015);(175.075,0.037);(177.02,0.01);(181.069,0.015);(183.046,0.048);(185.022,0.037);(186.032,0.061);(187.038,0.035);(197.062,0.02);(198.062,0.018);(199.038,0.033);(200.045,0.049);(201.052,0.018);(215.068,0.019);(225.058,0.023);(227.033,0.078);(227.079,0.02);(228.034,0.023);(243.063,0.015)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(51.023,0.02);(51.03,0.011);(51.937,0.012);(52.322,0.015);(52.936,0.011);(53.038,0.017);(55.013,0.013);(55.018,0.024);(55.931,0.011);(55.936,0.012);(56.94,0.033);(56.962,0.066);(56.967,0.034);(56.979,0.011);(57.002,0.011);(57.033,0.023);(58.064,0.016);(58.961,0.03);(60.986,0.022);(61.005,0.016);(61.009,0.188);(61.013,0.188);(61.031,0.037);(61.046,0.012);(61.05,0.013);(62.015,0.035);(62.019,0.077);(62.022,0.017);(62.036,0.016);(62.14,0.011);(62.989,0.022);(63.021,0.015);(63.026,0.023);(63.113,0.011);(64.265,0.011);(65.598,0.011);(66.792,0.012);(67.012,0.056);(67.017,0.022);(67.02,0.087);(67.046,0.011);(67.056,0.014);(67.065,0.014);(68.99,0.027);(68.993,0.054);(68.997,0.158);(69.016,0.011);(69.03,0.064);(69.034,0.051);(69.038,0.041);(69.066,0.011);(69.088,0.012);(69.118,0.013);(70.066,0.017);(70.956,0.011);(71.274,0.013);(72.933,0.039);(72.936,0.017);(72.946,0.011);(73.95,0.014);(74.925,0.017);(75.796,0.011);(77.035,0.069);(77.038,0.051);(77.042,0.022);(77.062,0.012);(77.08,0.013);(78.008,0.012);(79.014,0.018);(79.019,0.061);(79.042,0.015);(79.053,0.127);(79.069,0.037);(79.086,0.017);(81.029,0.023);(81.04,0.012);(81.068,0.011);(81.096,0.012);(81.957,0.013);(83.012,0.039);(83.031,0.016);(83.067,0.013);(84.956,0.066);(84.966,0.043);(84.973,0.018);(84.999,0.011);(85.034,0.013);(85.852,0.012);(86.953,0.014);(86.998,0.013);(87.914,0.011);(87.979,0.018);(88.996,0.012);(89.039,0.031);(90.041,0.044);(90.046,0.076);(90.976,0.021);(91.007,0.016);(92.996,0.035);(93.034,0.022);(93.068,0.014);(94.036,0.023);(95.085,0.026);(96.282,0.012);(96.599,0.012);(96.636,0.012);(97.024,0.051);(97.029,0.046);(97.046,0.025);(97.126,0.011);(98.138,0.011);(98.466,0.036);(98.636,0.011);(98.936,0.032);(99.286,0.013);(100.908,0.016);(100.929,0.023);(100.99,0.019);(101.037,0.014);(101.061,0.011);(101.919,0.042);(102.554,0.013);(102.923,0.027);(102.931,0.04);(102.952,0.012);(102.991,0.017);(103.048,0.016);(103.053,0.038);(103.062,0.024);(103.11,0.011);(103.939,0.013);(104.994,0.012);(105.067,0.102);(105.36,0.012);(105.976,0.048);(107.011,0.02);(107.053,0.012);(109.051,0.022);(109.063,0.026);(109.087,0.016);(110.664,0.012);(110.998,0.033);(111.006,0.061);(111.702,0.012);(112.102,0.011);(112.991,0.017);(113.887,0.011);(114.102,0.014);(114.914,0.019);(114.926,0.011);(115.057,0.013);(115.085,0.013);(115.936,0.022);(116.883,0.011);(116.918,0.013);(117.598,0.011);(118.034,0.074);(118.042,0.217);(118.083,0.016);(118.106,0.012);(118.909,0.015);(118.919,0.062);(118.927,0.033);(118.936,0.013);(118.958,0.039);(118.972,0.014);(119.008,0.011);(119.018,0.012);(119.089,0.012);(119.492,0.011);(119.987,0.011);(120.648,0.012);(120.986,0.037);(121.009,0.011);(121.056,0.047);(121.06,0.037);(121.069,0.019);(121.373,0.013);(121.388,0.012);(121.704,0.013);(122.538,0.011);(123.048,0.014);(125.044,0.014);(125.135,0.012);(126.055,0.028);(126.937,0.012);(126.946,0.014);(128.939,0.036);(128.947,0.033);(128.977,0.02);(129.992,0.019);(130.024,0.012);(130.702,0.012);(130.907,0.015);(130.947,0.012);(130.961,0.021);(130.982,0.041);(130.99,0.081);(130.998,0.02);(131.06,0.014);(131.298,0.012);(131.57,0.011);(131.948,0.038);(132.068,0.016);(132.2,0.011);(132.886,0.011);(132.933,0.042);(132.953,0.03);(132.967,0.013);(133.018,0.012);(133.059,0.105);(133.064,0.44);(133.07,0.107);(133.096,0.028);(133.107,0.017);(133.117,0.017);(133.127,0.015);(133.134,0.023);(133.168,0.028);(133.202,0.018);(133.213,0.011);(133.246,0.012);(133.267,0.017);(133.603,0.013);(133.934,0.017);(133.958,0.038);(133.989,0.014);(134.911,0.014);(134.937,0.021);(134.951,0.06);(134.959,0.017);(134.973,0.012);(134.982,0.031);(135.022,0.022);(135.045,0.013);(135.08,0.019);(136.92,0.011);(136.93,0.02);(136.958,0.012);(136.99,0.015);(137.053,0.021);(137.061,0.018);(137.091,0.019);(137.171,0.011);(137.94,0.016);(137.952,0.017);(137.973,0.021);(138.052,0.013);(138.877,0.011);(138.999,0.051);(139.039,0.013);(139.055,0.017);(139.746,0.012);(141.044,0.018);(141.073,0.011);(141.356,0.013);(141.536,0.014);(142.081,0.022);(143.828,0.011);(143.909,0.017);(143.982,0.018);(145.577,0.011);(145.734,0.011);(146.042,0.017);(146.186,0.011);(146.317,0.012);(146.921,0.015);(148.004,0.02);(148.97,0.012);(148.997,0.027);(149.113,0.012);(149.458,0.011);(149.94,0.02);(149.952,0.017);(150.101,0.014);(150.717,0.012);(150.946,0.021);(151.952,0.013);(152.061,0.013);(152.139,0.017);(152.36,0.014);(152.522,0.01);(152.851,0.011);(153.016,1.0);(153.021,0.278);(153.046,0.027);(153.065,0.031);(153.08,0.032);(153.092,0.05);(153.101,0.025);(153.116,0.011);(153.125,0.049);(153.148,0.015);(153.158,0.022);(153.177,0.012);(153.19,0.011);(153.202,0.018);(153.239,0.012);(153.251,0.013);(153.296,0.012);(153.331,0.012);(153.426,0.013);(153.562,0.012);(153.593,0.014);(153.627,0.013);(153.683,0.012);(153.888,0.019);(153.903,0.013);(154.072,0.016);(154.126,0.012);(154.665,0.011);(154.929,0.011);(155.06,0.015);(155.868,0.015);(156.053,0.011);(156.259,0.012);(156.536,0.011);(156.996,0.015);(157.015,0.02);(157.528,0.012);(157.981,0.012);(158.068,0.019);(158.712,0.011);(158.876,0.012);(158.926,0.011);(160.807,0.012);(160.987,0.02);(161.056,0.092);(161.07,0.022);(161.095,0.012);(161.815,0.012);(162.931,0.015);(163.018,0.011);(163.346,0.011);(163.918,0.013);(164.981,0.019);(164.993,0.037);(165.002,0.021);(165.014,0.019);(165.042,0.011);(165.093,0.011);(165.883,0.011);(166.072,0.015);(166.393,0.014);(167.178,0.013);(168.026,0.011);(168.561,0.012);(168.933,0.011);(169.196,0.012);(170.063,0.02);(170.934,0.015);(170.946,0.026);(171.664,0.011);(172.318,0.012);(172.933,0.014);(174.387,0.012);(174.636,0.014);(175.079,0.027);(176.82,0.013);(176.963,0.011);(180.625,0.013);(181.974,0.015);(182.103,0.014);(182.275,0.012);(182.638,0.011);(184.363,0.011);(184.961,0.011);(185.046,0.029);(186.053,0.013);(186.617,0.011);(188.26,0.012);(189.44,0.012);(190.707,0.011);(190.856,0.013);(190.891,0.011);(190.941,0.018);(190.985,0.015);(194.027,0.011);(194.868,0.012);(194.897,0.011);(195.784,0.011);(200.044,0.012);(201.509,0.011);(201.71,0.016);(201.982,0.011);(202.922,0.011);(206.218,0.011);(206.811,0.014);(206.823,0.028);(207.107,0.011);(207.46,0.011);(208.316,0.011);(208.921,0.011);(208.95,0.016);(208.994,0.021);(209.048,0.013);(210.064,0.016);(210.441,0.012);(210.527,0.011);(210.644,0.012);(213.935,0.011);(215.638,0.011);(216.419,0.012);(217.119,0.011);(217.165,0.011);(218.518,0.011);(218.778,0.013);(224.377,0.013);(228.048,0.012);(228.781,0.014);(228.916,0.011);(229.679,0.012);(230.743,0.011);(231.342,0.011);(231.669,0.012);(232.706,0.014);(235.843,0.014);(236.302,0.013);(236.451,0.017);(236.984,0.011);(237.5,0.011);(237.828,0.014);(238.19,0.013);(240.486,0.011);(240.676,0.013);(240.859,0.015);(242.065,0.016);(242.084,0.011);(243.053,0.018);(243.984,0.012);(244.059,0.077);(244.143,0.011);(244.348,0.011);(244.479,0.011);(245.417,0.012);(245.498,0.012);(248.016,0.013);(248.181,0.014);(248.28,0.011);(248.318,0.013);(249.243,0.011);(249.882,0.011);(249.898,0.012);(250.314,0.011);(252.329,0.012);(253.325,0.011);(253.919,0.011);(256.557,0.012);(257.34,0.011);(258.107,0.012);(258.14,0.011);(259.045,0.014);(260.601,0.014);(262.16,0.011);(262.208,0.012);(262.492,0.011);(262.787,0.013);(264.799,0.011);(265.949,0.012);(266.578,0.011);(267.82,0.011);(269.268,0.014);(270.048,0.013);(270.939,0.012);(272.047,0.015);(272.089,0.011);(272.192,0.012);(272.238,0.011);(273.413,0.013);(276.614,0.013);(278.583,0.01);(279.804,0.012);(280.419,0.011);(281.522,0.011);(282.709,0.013);(283.198,0.012);(284.165,0.011);(284.302,0.011);(284.666,0.011);(284.825,0.011);(285.39,0.012);(285.976,0.014);(286.91,0.015)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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