precursor

Showing entry for 7,4'-Dihydroxyflavone

Identification

PhytoHub ID
PHUB000860
Name
7,4'-Dihydroxyflavone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
254.241
Monoisotopic Mass
254.057908802
Chemical Formula
C15H10O4
IUPAC Name
7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key
LCAWNFIFMLXZPQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
SMILES
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.29e-02 g/l
LogS (ALOGPS)
-3.49
LogP (ALOGPS)
3.34
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.76
Refractivity
70.933
Polarizability
25.876914790292606
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.37146336669763
pKa (strongest acidic)
6.503358652785241
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavones
Direct Parent Name
Flavones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives"]
External Descriptor Annotations
["Flavones and Flavonols", "dihydroxyflavone", "flavones"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4'-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(39.02292522,2.291331742);(116.0256639,1.211969389);(117.0334885,1.846539196);(118.0413131,4.361631669);(119.0491377,2.598047008);(134.0362272,4.705367408);(135.0440518,1.68651327);(136.0154921,2.40345613);(137.0233167,1.53438568);(144.020578,1.480208396);(145.0284026,1.46525876);(160.0154921,1.069771703);(184.0154921,1.574769146);(186.0311413,1.090304265);(197.059701,1.500644082);(200.0467905,1.459483922);(210.0311413,2.23547613);(212.0467905,7.19209083);(213.0546151,3.242095376);(224.0467905,3.286655834);(225.0546151,3.500388249);(226.0260554,2.317160084);(226.0624397,14.90333169);(227.0658287,2.374693426);(228.0417046,1.228478614);(236.0467905,2.721960537);(237.0546151,2.529000988);(238.0260554,1.932357506);(239.03388,2.17797203);(254.0573538,15.43985339);(255.0607424,2.638803556)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(39.02292522,0.7456211865);(79.01783932,0.7282487029);(116.0256639,1.186188734);(117.0334885,1.657904325);(118.0413131,3.535642457);(119.0491377,2.231543614);(136.0154921,1.071116692);(137.0233167,0.8773235681);(144.020578,1.828330362);(145.0284026,1.320407922);(184.0154921,1.164890231);(197.059701,1.090016173);(200.0467905,1.369012204);(202.0624397,0.8811358582);(210.0311413,1.52485);(212.0467905,4.795588431);(213.0501762,0.7090076422);(213.0546151,2.711688478);(223.0389659,0.8765944338);(224.0467905,3.256747632);(225.0546151,3.362161738);(226.0260554,1.543687146);(226.0624397,9.732715154);(227.0658287,1.550808582);(228.0417046,0.9757298896);(236.0467905,1.187237072);(237.0546151,1.123636793);(238.0260554,1.754999099);(239.03388,1.958263105);(254.0573538,14.18563787);(255.0607424,2.424447351)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(27.02292522,0.7090909779);(57.01550142,0.9150892812);(71.03115062,1.198645324);(73.04679982,13.40502341);(74.04796012,1.147017402);(89.04171392,0.7765576085);(134.0362272,1.141130611);(135.0440518,0.9365989573);(137.0233167,1.64776938);(175.0573631,1.333317784);(190.0808369,0.7265445572);(191.0886615,1.095676023);(201.036628,0.8079832011);(216.0601018,0.8168630542);(223.0389659,1.108992182);(225.0546151,2.417998587);(254.0573538,4.032429169);(255.0607424,0.6891767793);(255.0651784,2.077848879);(283.0784897,2.775278231);(296.0863143,0.806879012);(297.0941389,1.109435785);(298.0655792,0.7920573452);(298.1019635,2.270712307);(308.0863143,1.138826349);(309.0941389,1.309121926);(310.0655792,1.152275885);(311.0734038,5.645648273);(312.0760076,1.381381841);(325.089053,1.081155371);(326.0968776,2.606672449)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(57.01550142,0.8208151048);(71.03115062,1.1096588);(73.04679982,12.69743713);(74.04796012,1.086471907);(117.0334885,1.415566274);(118.0413131,2.17442011);(119.0491377,2.754848663);(135.0440518,1.312589684);(145.0284026,1.390801762);(149.0417139,1.650000029);(164.0651877,0.883822263);(165.036628,0.8864266727);(191.0522772,1.184594653);(210.0311413,0.8663364811);(212.0467905,0.9843769976);(213.0546151,1.120239661);(224.0467905,0.8991963422);(225.0546151,1.730232336);(254.0573538,3.55902539);(255.0651784,1.868571116);(269.0628405,0.8134608891);(283.0421054,0.8474881007);(283.0784897,3.035838797);(297.0941389,0.986115239);(298.1019635,2.117994507);(308.0863143,1.513825935);(309.0941389,1.78926689);(311.0734038,4.453858108);(312.0760076,1.089773648);(325.089053,1.000891213);(326.0968776,2.28023331)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(27.02292522,0.9315019808);(71.03115062,0.8209415154);(73.01041552,0.824196095);(73.04679982,11.38387426);(74.04796012,0.9740752752);(89.04171392,1.175117966);(149.0417139,1.05942644);(165.0730123,0.8893048425);(175.0573631,1.271062728);(191.0886615,1.512047098);(206.075751,0.8327027732);(209.0628405,1.320472784);(217.0679264,1.19922449);(285.0941389,0.847949678);(296.0863143,1.483143085);(297.0941389,3.964018461);(298.0967447,0.9696225417);(311.0734038,3.449797972);(312.0760076,0.8440993919);(324.0812284,0.9926722733);(325.089053,3.702659883);(326.091694,0.9485280821);(326.0968776,2.425584941);(327.1047022,1.909907776);(355.1180135,1.000975432);(370.105103,0.9445984571);(370.1414873,1.367022914);(382.105103,0.9959044333);(383.1129276,5.647510134);(384.1151556,1.864226336);(398.1364014,1.196893853)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(41.03857442,0.7958648834);(55.05422362,1.182502059);(56.06204822,0.6725180356);(57.06987282,2.475659391);(58.07769742,0.6990738608);(59.03115062,1.41811465);(59.08552202,0.8423353352);(115.0937474,1.020341413);(135.0440518,0.9231219318);(137.0233167,0.7025283647);(139.0389659,0.8324045997);(225.0546151,0.7411216448);(254.0573538,3.931939594);(255.0607424,0.6720022479);(255.0651784,4.004690112);(256.0685696,0.6850367298);(283.0784897,1.08273162);(285.0941389,0.644355141);(297.0577546,1.931110687);(310.0655792,1.598823993);(311.0734038,34.92174783);(312.0760076,8.544681848);(312.0812284,2.082864803);(313.0745342,2.422249319);(313.0838345,0.5099495418);(313.089053,1.865161115);(353.1203514,2.041869591);(354.1230575,0.5700138355);(368.1438252,0.5428708986)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(41.03857442,0.7628608875);(55.05422362,1.128929064);(56.06204822,0.6416387961);(57.06987282,2.363500188);(58.07769742,0.6678656553);(59.03115062,1.324299472);(59.08552202,0.8047316202);(115.0937474,0.9714193862);(118.0413131,0.953713913);(119.0491377,1.100211109);(121.0647869,0.7371194189);(137.059701,0.5567392474);(145.0284026,0.5352376837);(147.0440518,0.5099754779);(149.0417139,0.552696035);(151.0573631,0.50960798);(254.0573538,3.727138706);(255.0607424,0.6370000171);(255.0651784,3.500122509);(256.0685696,0.5987260963);(283.0784897,1.066569114);(285.0941389,0.5393257434);(297.0577546,1.369828017);(310.0655792,1.527448949);(311.0734038,32.46977246);(312.0760076,7.944730507);(312.0812284,1.866557752);(313.0745342,2.252174909);(313.089053,1.327188959);(353.1203514,2.275152702);(354.1230575,0.6351377795)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(55.05422362,1.310445033);(57.06987282,2.32097367);(115.0937474,1.87040832);(149.0417139,0.8818605145);(175.0573631,0.9090076462);(207.1199599,0.8808613193);(233.1356091,0.8563434155);(251.1097881,0.9304140962);(281.0628405,0.8976157493);(293.0628405,0.8793916415);(309.0577546,0.8938041376);(311.0734038,4.91516671);(312.0760076,1.202647014);(339.1410865,1.750730101);(367.0816292,2.268114873);(367.1360006,2.460435777);(369.0972784,7.869749623);(369.1516498,2.079543275);(370.0994629,2.507326397);(371.0975923,0.9631483194);(371.1129276,2.684689347);(372.115116,0.8561557978);(397.1649611,1.25327594);(411.144226,2.455443489);(412.1465323,0.8669801559);(425.1598752,3.943905868);(426.162217,1.437864932);(426.1676998,0.9548399671);(427.1755244,1.717629586);(467.2068228,2.335112866);(468.2092588,0.9318520142)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(116.03,3.0);(117.019,2.0);(117.039,999.0);(117.368,2.0);(117.39,2.0);(118.041,111.0);(119.043,6.0);(161.026,1.0);(165.074,1.0);(180.059,2.0);(193.068,4.0);(195.051,2.0);(209.066,6.0);(210.068,1.0);(219.05,3.0);(236.051,2.0);(237.062,95.0);(238.066,11.0);(239.066,1.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(253.0523,999.0);(253.5686,2.0);(254.0539,151.0);(255.0561,19.0);(256.0602,2.0);(289.0265,4.0);(507.109,60.0);(508.1121,20.0);(509.1155,3.0);(529.0909,19.0);(530.0948,5.0);(533.5639,3.0);(534.0665,3.0);(543.0847,2.0);(545.0641,3.0)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(117.0357,92.69);(118.0386,3.1);(133.0302,7.21);(135.0103,19.02);(153.0203,6.01);(224.0499,3.1);(225.0566,3.4);(253.0531,100.0);(254.0567,8.81)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(103.05415,2.14);(129.03305,1.04);(147.04434,1.64);(153.01871,7.64);(209.05684,1.01);(255.065,100.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(117.0357,0.92692693);(118.0386,0.03103103);(133.0302,0.07207207);(135.0103,0.19019019);(153.0203,0.06006006);(224.0499,0.03103103);(225.0566,0.03403403);(253.0531,1.0);(254.0567,0.08808809)
LC-MS/MSLC-ESI-TOFPositivelowView Spectrum(81.033,0.09209209);(89.037,0.07407407);(91.054,0.32332332);(92.057,0.01701702);(93.033,0.03303303);(95.012,0.04804805);(107.05,0.03603604);(109.029,0.10810811);(115.054,0.04904905);(117.034,0.05605606);(119.048,0.24624625);(120.05,0.02602603);(121.028,0.0960961);(128.061,0.08308308);(129.066,0.02602603);(131.047,0.04004004);(137.023,1.0);(138.027,0.07507508);(139.05,0.03903904);(141.072,0.02402402);(145.029,0.78878879);(146.031,0.07107107);(152.06,0.13513514);(153.067,0.06606607);(155.035,0.01801802);(157.061,0.05705706);(167.053,0.02002002);(169.064,0.02302302);(181.062,0.07407407);(227.072,0.03403403);(234.935,0.02502503);(252.95,0.02302302);(255.063,0.05705706)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(67.01731,0.00700701);(68.38005,0.0);(68.99295,0.001001);(68.99921,0.002002);(69.0312,0.001001);(70.0049,0.0);(77.03525,0.001001);(77.0396,0.002002);(78.04565,0.001001);(81.03384,0.001001);(83.01128,0.001001);(88.54473,0.001001);(89.87787,0.0);(91.01873,0.001001);(93.02693,0.001001);(97.02563,0.003003);(97.03145,0.002002);(98.23953,0.0);(103.04205,0.001001);(103.05415,0.02102102);(104.05539,0.003003);(104.06342,0.001001);(104.33179,0.0);(105.01425,0.0);(105.02154,0.001001);(105.0358,0.00800801);(106.79347,0.001001);(107.01387,0.0);(109.02583,0.002002);(110.03509,0.001001);(111.00504,0.001001);(111.01363,0.002002);(112.01356,0.001001);(112.54384,0.001001);(113.99133,0.0);(114.33181,0.0);(115.05482,0.0);(118.04147,0.001001);(124.01101,0.0);(125.01607,0.001001);(125.03247,0.001001);(128.05826,0.001001);(128.06378,0.001001);(129.02296,0.002002);(129.03305,0.01001001);(129.04364,0.002002);(130.03625,0.002002);(130.29514,0.001001);(131.08444,0.001001);(132.0864,0.0);(133.02386,0.0);(136.011,0.0);(137.01913,0.0);(139.0372,0.001001);(139.05011,0.001001);(139.05658,0.002002);(141.07292,0.0);(143.27235,0.0);(143.34119,0.0);(147.04434,0.01601602);(148.04257,0.001001);(148.05197,0.001001);(150.98761,0.001001);(151.05173,0.001001);(151.06126,0.0);(151.98056,0.0);(152.03384,0.0);(152.05833,0.00800801);(152.06497,0.003003);(152.42598,0.0);(152.60381,0.0);(152.98651,0.001001);(152.99435,0.0);(153.01871,0.07607608);(153.05487,0.001001);(153.06723,0.00600601);(153.07312,0.001001);(154.00891,0.0);(154.02121,0.00600601);(154.0442,0.0);(154.06598,0.0);(154.48703,0.0);(155.02275,0.001001);(155.03812,0.001001);(157.06027,0.001001);(158.06787,0.002002);(158.0766,0.001001);(162.7733,0.0);(163.05547,0.0);(163.06227,0.001001);(164.013,0.0);(164.44597,0.0);(165.0623,0.001001);(167.05133,0.001001);(167.5562,0.0);(169.05849,0.001001);(169.06996,0.001001);(171.03793,0.001001);(171.04402,0.002002);(171.05641,0.001001);(171.80486,0.001001);(172.04019,0.0);(174.52095,0.001001);(176.70308,0.0);(181.03935,0.001001);(181.05489,0.002002);(181.06302,0.002002);(183.03539,0.001001);(183.08041,0.001001);(185.05983,0.0);(185.07379,0.001001);(186.05972,0.001001);(186.07414,0.0);(187.05547,0.0);(187.06396,0.0);(187.07721,0.003003);(187.14497,0.0);(188.07451,0.001001);(188.08255,0.0);(189.073,0.0);(193.85225,0.001001);(195.03421,0.001001);(197.12302,0.0);(199.08173,0.001001);(200.94438,0.0);(207.0614,0.001001);(207.08081,0.0);(208.09322,0.001001);(208.93524,0.0);(208.99733,0.001001);(209.05684,0.01001001);(209.06897,0.003003);(210.06058,0.0);(210.07417,0.0);(213.05475,0.00800801);(214.00273,0.001001);(214.05525,0.0);(214.07758,0.0);(220.50212,0.001001);(224.4924,0.001001);(226.05904,0.0);(227.0519,0.001001);(228.1089,0.0);(234.3175,0.0);(237.04417,0.001001);(237.05846,0.002002);(237.10115,0.0);(238.77928,0.0);(240.32487,0.0);(246.43526,0.001001);(250.11488,0.0);(250.22169,0.0);(250.23787,0.0);(251.33748,0.0);(251.96611,0.0);(252.66855,0.0);(253.05475,0.001001);(253.06549,0.001001);(253.75615,0.0);(254.03952,0.001001);(254.05942,0.001001);(254.7607,0.0);(254.86542,0.0);(254.90115,0.001001);(254.91771,0.0);(254.99927,0.0);(255.01387,0.001001);(255.02612,0.002002);(255.065,1.0);(255.1102,0.03703704);(255.1497,0.001001);(255.19289,0.0);(255.20483,0.001001);(255.22052,0.0);(255.25291,0.00700701)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(117.036,0.927);(118.039,0.031);(133.03,0.072);(135.01,0.19);(153.02,0.06);(224.05,0.031);(225.057,0.034);(253.053,1.0);(254.057,0.088)
LC-MS/MSLC-ESI-TOFPositivelowView Spectrum(81.033,0.092);(89.037,0.074);(91.054,0.323);(92.057,0.017);(93.033,0.033);(95.012,0.048);(107.05,0.036);(109.029,0.108);(115.054,0.049);(117.034,0.056);(119.048,0.246);(120.05,0.026);(121.028,0.096);(128.061,0.083);(129.066,0.026);(131.047,0.04);(137.023,1.0);(138.027,0.075);(139.05,0.039);(141.072,0.024);(145.029,0.789);(146.031,0.071);(152.06,0.135);(153.067,0.066);(155.035,0.018);(157.061,0.057);(167.053,0.02);(169.064,0.023);(181.062,0.074);(227.072,0.034);(234.935,0.025);(252.95,0.023);(255.063,0.057)
LC-MS/MSLC-ESI-TOFNegativemediumView Spectrum(89.034,0.013);(91.016,0.065);(117.033,1.0);(118.036,0.069);(132.02,0.025);(133.028,0.041);(135.007,0.032);(180.06,0.026);(195.045,0.019);(223.044,0.042);(224.046,0.024)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(67.01731,0.00735476);(68.38005,0.00038108);(68.99295,0.00129566);(68.99921,0.00161957);(69.0312,0.00062878);(70.0049,0.00032391);(77.03525,0.00118133);(77.0396,0.00249605);(78.04565,0.00064783);(81.03384,0.00083837);(83.01128,0.0014862);(88.54473,0.00053351);(89.87787,0.00034297);(91.01873,0.00112417);(93.02693,0.00064783);(97.02563,0.00289618);(97.03145,0.001772);(98.23953,0.00040013);(103.04205,0.00072404);(103.05415,0.02143551);(104.05539,0.00312482);(104.06342,0.00087647);(104.33179,0.00032391);(105.01425,0.00047634);(105.02154,0.00121944);(105.0358,0.00800259);(106.79347,0.00062878);(107.01387,0.00038108);(109.02583,0.00173389);(110.03509,0.00055256);(111.00504,0.00106701);(111.01363,0.00158146);(112.01356,0.0007431);(112.54384,0.00083837);(113.99133,0.00034297);(114.33181,0.00040013);(115.05482,0.00045729);(118.04147,0.00068594);(124.01101,0.00038108);(125.01607,0.00072404);(125.03247,0.00053351);(128.05826,0.00070499);(128.06378,0.00057161);(129.02296,0.00171484);(129.03305,0.01036526);(129.04364,0.00160052);(130.03625,0.00194349);(130.29514,0.00055256);(131.08444,0.00057161);(132.0864,0.00043824);(133.02386,0.00032391);(136.011,0.00047634);(137.01913,0.00047634);(139.0372,0.00108607);(139.05011,0.00104796);(139.05658,0.00194349);(141.07292,0.0004954);(143.27235,0.00038108);(143.34119,0.00036202);(147.04434,0.01642437);(148.04257,0.00118133);(148.05197,0.00110512);(150.98761,0.00078121);(151.05173,0.00060972);(151.06126,0.00047634);(151.98056,0.00047634);(152.03384,0.00038108);(152.05833,0.00758341);(152.06497,0.00348684);(152.42598,0.00047634);(152.60381,0.00034297);(152.98651,0.00070499);(152.99435,0.00043824);(153.01871,0.07638664);(153.05487,0.00059067);(153.06723,0.00563992);(153.07312,0.0014862);(154.00891,0.00030486);(154.02121,0.00619248);(154.0442,0.00040013);(154.06598,0.00043824);(154.48703,0.00038108);(155.02275,0.00140998);(155.03812,0.00080026);(157.06027,0.00097174);(158.06787,0.00167673);(158.0766,0.00051445);(162.7733,0.00032391);(163.05547,0.00034297);(163.06227,0.00072404);(164.013,0.00036202);(164.44597,0.00047634);(165.0623,0.00051445);(167.05133,0.00091458);(167.5562,0.00043824);(169.05849,0.00142903);(169.06996,0.0007431);(171.03793,0.00070499);(171.04402,0.0020197);(171.05641,0.00062878);(171.80486,0.00057161);(172.04019,0.00045729);(174.52095,0.00070499);(176.70308,0.00034297);(181.03935,0.00053351);(181.05489,0.00240078);(181.06302,0.001772);(183.03539,0.00100985);(183.08041,0.00097174);(185.05983,0.00043824);(185.07379,0.00095269);(186.05972,0.00072404);(186.07414,0.00047634);(187.05547,0.00040013);(187.06396,0.00045729);(187.07721,0.00320104);(187.14497,0.00041918);(188.07451,0.00072404);(188.08255,0.00043824);(189.073,0.00040013);(193.85225,0.00070499);(195.03421,0.00051445);(197.12302,0.00045729);(199.08173,0.00083837);(200.94438,0.00041918);(207.0614,0.00055256);(207.08081,0.00047634);(208.09322,0.0007431);(208.93524,0.00036202);(208.99733,0.00081931);(209.05684,0.0100604);(209.06897,0.00266753);(210.06058,0.00041918);(210.07417,0.00045729);(213.05475,0.00849799);(214.00273,0.00100985);(214.05525,0.00045729);(214.07758,0.00040013);(220.50212,0.00064783);(224.4924,0.00055256);(226.05904,0.00038108);(227.0519,0.00093364);(228.1089,0.00045729);(234.3175,0.00034297);(237.04417,0.00095269);(237.05846,0.00181011);(237.10115,0.0004954);(238.77928,0.00045729);(240.32487,0.00045729);(246.43526,0.00064783);(250.11488,0.00032391);(250.22169,0.00032391);(250.23787,0.00032391);(251.33748,0.00034297);(251.96611,0.00032391);(252.66855,0.00032391);(253.05475,0.00064783);(253.06549,0.00059067);(253.75615,0.00036202);(254.03952,0.00055256);(254.05942,0.00080026);(254.7607,0.00038108);(254.86542,0.00040013);(254.90115,0.00064783);(254.91771,0.00047634);(254.99927,0.00045729);(255.01387,0.00144809);(255.02612,0.00217213);(255.065,1.0);(255.1102,0.03738353);(255.1497,0.00066688);(255.19289,0.00030486);(255.20483,0.00100985);(255.22052,0.0004954);(255.25291,0.00739287)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.054,0.021);(129.033,0.01);(147.044,0.016);(153.019,0.076);(209.057,0.01);(255.065,1.0);(255.11,0.037)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.787375,0.00002577);(51.221328,0.00004023);(51.257163,0.00003916);(51.258566,0.00004524);(51.261323,0.00003265);(52.062676,0.00003019);(52.687856,0.00003599);(52.931549,0.00004397);(53.209138,0.00004086);(53.371719,0.00004049);(54.993372,0.00003038);(55.530219,0.00003933);(56.390279,0.00003711);(56.439547,0.00005251);(58.300703,0.00003747);(58.316171,0.00003654);(59.018683,0.00003791);(59.394912,0.00003188);(59.646056,0.00004133);(59.844366,0.00003509);(60.406852,0.00002886);(60.772228,0.00003988);(60.958616,0.00004113);(61.066543,0.00004176);(61.118047,0.00004253);(61.123725,0.00004151);(62.351452,0.0000318);(63.138412,0.00004643);(63.387526,0.00004458);(63.770571,0.00003673);(63.833812,0.00003779);(64.518005,0.00003058);(64.675843,0.00003026);(64.926895,0.00004353);(65.366861,0.00003782);(65.549505,0.00003575);(65.85357,0.00003624);(65.919281,0.00003857);(65.952683,0.00004348);(66.36096,0.00003384);(66.428859,0.00003972);(66.439039,0.00003808);(66.505844,0.00004318);(67.034341,0.00004159);(68.643928,0.00003432);(68.839801,0.00003991);(68.935782,0.00004494);(69.509812,0.00003465);(70.288288,0.00004317);(72.464486,0.00004232);(73.100963,0.00004631);(73.199893,0.00004791);(73.405433,0.00004147);(73.674642,0.0000352);(75.025462,0.00004435);(75.190565,0.00004185);(75.262697,0.00003979);(75.423799,0.00002995);(76.686078,0.00004428);(77.044024,0.00003801);(77.833437,0.000045);(78.008773,0.00004787);(78.739684,0.00004268);(79.132865,0.00003354);(79.870074,0.00003268);(80.154417,0.00004775);(81.744866,0.00005632);(81.821707,0.00004076);(82.051837,0.00004303);(82.09491,0.00004086);(82.77277,0.00003927);(82.869576,0.00004471);(83.6785,0.00003903);(84.41958,0.00004945);(84.710928,0.0000435);(86.538503,0.00004387);(86.67877,0.00004097);(86.714401,0.00004201);(86.779415,0.00003981);(87.020312,0.00003713);(87.202794,0.00002785);(87.592231,0.00002909);(87.672424,0.0000391);(87.823144,0.00003944);(88.536587,0.00004446);(88.694655,0.00004013);(89.125805,0.00003323);(89.241151,0.00003275);(90.134783,0.000042);(90.585859,0.00004663);(90.678164,0.00004952);(90.781582,0.00003132);(91.017622,0.00474326);(91.416413,0.00003783);(92.418598,0.00003342);(93.07643,0.00004135);(93.472148,0.00004206);(94.522557,0.00005333);(96.590072,0.00003283);(97.006141,0.00003916);(97.179336,0.00005171);(97.99832,0.00004629);(98.555502,0.00004592);(99.078876,0.00004144);(100.621636,0.00004685);(102.17013,0.00004014);(103.627087,0.00004196);(104.902331,0.00004077);(106.966908,0.00004504);(109.175028,0.00003794);(110.254539,0.00003854);(112.276,0.00004101);(112.345717,0.00005304);(114.833535,0.00004186);(115.561013,0.00003933);(116.794542,0.0001124);(117.033377,0.09119147);(117.254826,0.00004282);(117.289623,0.00005942);(117.44495,0.00004286);(118.036673,0.0068395);(118.267816,0.00004865);(120.342396,0.00004259);(120.958859,0.00082123);(121.776222,0.00004127);(122.109683,0.00004133);(123.12864,0.00004704);(123.169748,0.00003511);(123.896504,0.00004016);(126.498758,0.00004544);(126.82162,0.00004731);(126.896864,0.00004761);(127.414229,0.00004231);(127.508404,0.00004256);(129.380153,0.00003453);(130.197074,0.00004311);(131.465398,0.00003184);(133.028297,0.02313711);(134.031737,0.0012607);(134.622333,0.00003046);(135.007567,0.08095788);(135.263915,0.00003766);(136.010907,0.00550592);(136.882975,0.00004327);(140.830529,0.00004348);(142.473375,0.00003179);(145.053192,0.00004245);(146.408043,0.00004384);(148.2142,0.00003278);(148.516101,0.00007571);(149.173812,0.00004029);(149.655006,0.00004559);(151.018583,0.00004894);(151.483217,0.00005239);(153.01822,0.01689208);(154.021751,0.00067501);(154.917998,0.00003945);(155.752378,0.00003946);(156.218142,0.00004332);(157.287725,0.00005164);(159.254386,0.00005475);(161.614439,0.00004017);(164.267484,0.00003156);(164.320874,0.00004392);(165.139248,0.00003886);(166.627183,0.00004673);(168.936675,0.00004373);(170.892061,0.00004194);(171.010993,0.0000476);(172.002875,0.00004896);(172.354186,0.00003619);(173.571202,0.00003485);(176.86245,0.00003716);(177.250751,0.00003662);(180.902103,0.00004131);(181.065343,0.00003631);(181.67345,0.00003464);(183.116324,0.00003345);(185.059977,0.00199714);(186.584241,0.00003532);(186.709333,0.00004592);(189.870907,0.00004164);(192.420864,0.00004784);(195.630972,0.00004291);(196.999016,0.00004879);(200.356306,0.00003128);(202.172917,0.00003816);(206.661901,0.00004379);(208.052147,0.00021824);(209.060213,0.00399843);(209.856784,0.000042);(210.063993,0.00004824);(211.039597,0.0009076);(211.607482,0.00003994);(213.859482,0.00005573);(216.276251,0.00016909);(216.28785,0.0011567);(216.297748,0.00075496);(216.302425,0.00075629);(216.312437,0.00037654);(217.362713,0.000056);(222.165136,0.00004412);(224.047798,0.00015348);(224.72221,0.00004509);(225.05541,0.0023193);(225.795184,0.00004371);(235.63619,0.00004363);(236.783447,0.00004399);(237.030791,0.0000448);(240.342933,0.00004261);(242.078398,0.00005023);(251.094965,0.00017895);(251.950334,0.00004869);(252.042303,0.00133337);(253.0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LC-MS/MSLC-ESI-QFTPositivemediumView Spectrum(50.086123,0.00005044);(50.236446,0.00004037);(50.401178,0.00002031);(50.56262,0.00004562);(50.898441,0.00004253);(51.059261,0.00001678);(51.173284,0.00001848);(51.642094,0.00002869);(52.331236,0.00002399);(52.379563,0.00002283);(52.426664,0.0000208);(52.539377,0.00001388);(52.840044,0.00001956);(53.136963,0.00001362);(53.176104,0.00001551);(53.229992,0.00002934);(53.248,0.00002341);(53.665151,0.0000204);(54.739752,0.00002145);(54.928351,0.00003084);(55.004115,0.00003814);(55.07491,0.00001868);(55.362368,0.00004302);(55.433254,0.00004649);(56.095896,0.00001414);(56.248423,0.00005099);(56.589368,0.00001739);(56.93956,0.00001606);(57.005083,0.00002422);(57.733955,0.00003278);(58.288824,0.00003901);(58.41941,0.00005036);(58.570812,0.00004208);(58.620623,0.00003891);(62.09774,0.00002208);(62.756868,0.00003485);(62.863227,0.00004984);(63.245526,0.0000188);(63.640523,0.00034896);(64.704595,0.00003407);(65.198374,0.00004566);(68.51139,0.00003367);(68.719776,0.00001657);(68.99782,0.0003376);(70.278888,0.00002635);(71.170384,0.00005185);(72.473519,0.00002787);(72.581746,0.00002009);(72.762731,0.00003474);(73.970734,0.00005527);(74.163695,0.00005137);(74.183853,0.00002793);(74.194742,0.00003693);(75.432047,0.00001973);(75.85914,0.00001747);(76.117995,0.00001878);(76.14727,0.00001383);(76.732498,0.0000408);(77.115403,0.00003458);(77.255551,0.00001905);(77.269121,0.00004351);(77.810902,0.00004894);(77.981163,0.00002374);(78.230156,0.0000332);(78.863394,0.00001583);(79.171806,0.00002574);(79.179657,0.0000479);(79.957592,0.00004906);(80.005924,0.00003218);(80.449187,0.00002081);(81.042863,0.00003136);(81.972177,0.00001943);(82.253822,0.00003185);(82.538499,0.00003494);(82.646219,0.00004266);(83.505987,0.00003725);(84.81548,0.00004022);(85.51603,0.00001888);(85.533818,0.00003781);(85.564387,0.00001588);(85.814478,0.00001857);(86.663032,0.00003431);(87.021778,0.00005191);(87.083218,0.00001885);(87.093273,0.00005106);(87.140373,0.00002985);(87.273292,0.00004452);(87.403584,0.00001856);(88.327126,0.00004147);(90.039095,0.00003754);(90.140608,0.00003429);(91.054371,0.00009022);(91.350026,0.0000384);(91.630662,0.0000255);(92.78876,0.00001461);(93.088938,0.00004113);(93.593945,0.00003379);(94.904845,0.00004663);(96.487958,0.00001948);(96.842415,0.00003697);(97.340725,0.00004363);(97.506009,0.00003741);(98.975758,0.00040388);(100.01776,0.00003972);(101.12791,0.00004238);(101.631431,0.00002232);(102.977912,0.00002414);(103.480712,0.00004624);(104.845064,0.00004979);(104.868959,0.00004077);(105.894803,0.00003);(106.921263,0.0000259);(108.980034,0.00001687);(110.934886,0.00005418);(113.146504,0.00001758);(113.586487,0.00004074);(114.319858,0.00003595);(115.714254,0.0000419);(116.142189,0.00001848);(116.986042,0.00010615);(119.049313,0.0009511);(119.323392,0.00003019);(122.243586,0.00001716);(122.777971,0.00001993);(124.07963,0.00003385);(124.404554,0.00004375);(128.804762,0.00002102);(129.359823,0.00005143);(136.13574,0.00002669);(137.023283,0.00425103);(138.910255,0.00001786);(139.272385,0.0000442);(139.709744,0.00005863);(142.381232,0.00005042);(142.402322,0.00002113);(145.028393,0.0017533);(150.559683,0.00002699);(152.833958,0.0000446);(154.692975,0.00004371);(155.033769,0.00036898);(158.106932,0.00004901);(158.807412,0.00004927);(160.85791,0.0000212);(163.405202,0.00004268);(163.628257,0.00004262);(163.974011,0.00002209);(170.820449,0.00002991);(171.85359,0.00001822);(176.98911,0.00021388);(184.09528,0.00002181);(186.608397,0.00003524);(187.475439,0.00002569);(188.111503,0.00005722);(193.951496,0.00003486);(194.99983,0.00016993);(197.472179,0.00002269);(199.527263,0.00002286);(200.917449,0.00002353);(212.00795,0.00002078);(212.053263,0.00005016);(212.751274,0.00002861);(214.710659,0.00004623);(216.213972,0.00054923);(216.219032,0.00060872);(223.106125,0.00005329);(223.647847,0.00002126);(227.069874,0.00007216);(231.10973,0.00004804);(232.141041,0.00003293);(232.222847,0.00005507);(234.921371,0.0000191);(237.574497,0.00002749);(238.062901,0.00026625);(238.558441,0.00002077);(241.042901,0.00004132);(253.953204,0.00003462);(254.056891,0.00048282);(254.071404,0.00007728);(254.568983,0.00002447);(255.04101,0.00070839);(255.064904,1.0);(256.068138,0.15470671);(256.099282,0.00017454);(256.299831,0.00008912);(257.070837,0.00696694);(257.195866,0.00002029)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.532241,0.00014052);(50.795158,0.00014724);(51.073244,0.00014106);(51.179661,0.00015282);(52.193007,0.00014932);(52.942567,0.00014006);(53.246373,0.00008465);(53.469279,0.00012907);(53.483336,0.00014027);(53.636943,0.00008898);(53.690825,0.00012835);(53.892654,0.00012759);(54.239928,0.00016177);(54.35292,0.00012785);(55.496266,0.00013555);(56.493013,0.00013233);(56.976058,0.00019926);(57.189748,0.00011463);(57.31551,0.0001043);(57.796526,0.00007909);(59.876513,0.00013113);(60.022238,0.00012461);(60.468364,0.00013907);(60.626005,0.00015071);(60.758689,0.00014453);(61.428355,0.00012653);(61.434589,0.00012507);(62.116801,0.00015488);(62.952738,0.00013641);(63.04266,0.00014954);(63.088494,0.00013115);(63.168717,0.00016106);(63.181584,0.00015988);(63.247151,0.00012172);(63.402802,0.00014288);(63.488038,0.00012044);(63.839816,0.00013463);(64.180927,0.00014168);(64.627256,0.00015287);(64.719463,0.00016188);(65.353168,0.00015842);(66.144682,0.00012165);(66.447484,0.00012742);(66.654394,0.00012315);(66.93495,0.00008985);(67.201886,0.00013846);(68.02108,0.0001046);(68.18463,0.00013337);(68.227931,0.00011983);(68.57094,0.00010691);(68.770894,0.00011378);(70.323939,0.00014018);(71.000276,0.00015252);(71.002848,0.00009067);(71.535401,0.00012891);(71.691066,0.00014176);(71.949579,0.00015141);(72.043203,0.00018856);(72.161081,0.00011694);(72.279661,0.00014311);(72.509426,0.00009428);(72.899987,0.00015159);(73.588726,0.00015036);(74.085461,0.00015281);(75.94237,0.00011878);(77.222631,0.00014096);(77.952677,0.00012017);(78.536059,0.00015505);(79.338574,0.00011649);(79.729953,0.00011773);(79.955942,0.00014683);(80.065773,0.00014936);(80.699232,0.00013908);(81.973223,0.00013653);(82.138047,0.00010767);(83.056947,0.00016083);(83.375258,0.00017763);(83.502401,0.00016193);(83.507132,0.00013162);(84.452687,0.00015003);(84.531087,0.00015091);(85.712055,0.00015486);(85.839568,0.00014728);(85.908775,0.00012455);(86.241146,0.00011286);(86.579096,0.00015317);(86.594516,0.00016072);(87.568147,0.00014195);(87.977977,0.00015757);(89.038327,0.00095919);(90.125267,0.00013622);(90.998919,0.00011782);(91.017643,0.04785258);(92.020831,0.00075638);(92.631308,0.00016404);(93.033328,0.00029272);(93.358249,0.00013998);(93.543941,0.00011078);(94.585827,0.00014);(95.010686,0.00015229);(96.607249,0.00008777);(96.734359,0.00014383);(97.238049,0.00014788);(97.515677,0.00015115);(97.765707,0.00015079);(98.618331,0.00014038);(100.72837,0.00008649);(102.490807,0.00014038);(103.063133,0.00015023);(103.712779,0.00013889);(105.479101,0.00015349);(107.012488,0.00014361);(109.041526,0.00008865);(109.147363,0.00015315);(109.32315,0.00014797);(111.234877,0.00013016);(111.450815,0.00015484);(112.866438,0.00012936);(114.410625,0.00016532);(116.651894,0.00016235);(117.010017,0.0003332);(117.03337,0.44710339);(117.413769,0.00011919);(118.036679,0.03417156);(118.893638,0.0001735);(120.95891,0.00094319);(121.913928,0.00013372);(122.002792,0.00017543);(122.613148,0.00011627);(126.466614,0.00014561);(126.620167,0.00012383);(129.203011,0.00014055);(131.012785,0.0003014);(131.416183,0.00014084);(133.028299,0.1020969);(133.033826,0.00079701);(134.025543,0.00013863);(134.031631,0.00722483);(134.978586,0.00013521);(135.00756,0.25695762);(136.010894,0.01732927);(137.087192,0.0001624);(138.842613,0.00014313);(141.123246,0.00011257);(146.578262,0.00016579);(147.207073,0.00014736);(148.034806,0.00009253);(149.909573,0.00015165);(151.202824,0.00015731);(153.018249,0.05062357);(153.782799,0.00015474);(154.021484,0.00120461);(158.234312,0.00015342);(160.595294,0.00015854);(160.980536,0.00013878);(165.034042,0.0001277);(166.853508,0.00013287);(169.064678,0.00015332);(171.321812,0.00017221);(171.685339,0.00013076);(175.581272,0.00015492);(177.655533,0.0001256);(180.057177,0.00212261);(180.184386,0.00016624);(181.065273,0.00170592);(181.750064,0.00013982);(183.044899,0.00016472);(184.260853,0.00017264);(184.80423,0.00014499);(185.059983,0.00912413);(187.473905,0.00014338);(191.397296,0.0001475);(196.052491,0.00025269);(197.060088,0.0055621);(198.10282,0.00017298);(199.824094,0.00014938);(202.194322,0.0001541);(206.947524,0.0001447);(208.052296,0.01024086);(208.062972,0.00014475);(209.060413,0.01907697);(209.982136,0.00013741);(210.063985,0.00019117);(211.039541,0.00703903);(213.2561,0.00015373);(216.286778,0.00267772);(216.2914,0.0023869);(216.297445,0.00207091);(216.519662,0.00014203);(217.855355,0.00017781);(222.776609,0.00014765);(223.038891,0.00009499);(224.047428,0.00985286);(224.395157,0.00012992);(225.055311,0.01628949);(226.059436,0.00020238);(229.908689,0.00014359);(237.913342,0.00015358);(248.326196,0.00014683);(252.042534,0.00548725);(253.050342,1.0);(254.053778,0.15501979);(254.526496,0.00009888);(255.056419,0.00706477)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.12312,0.00018089);(50.216481,0.00018825);(50.909853,0.00016933);(50.999466,0.00017174);(51.16131,0.00016665);(51.306003,0.00020034);(51.358597,0.00016857);(51.460488,0.00018205);(51.662249,0.00017473);(51.842201,0.000127);(51.895283,0.00017118);(51.920176,0.00017294);(52.298233,0.00016795);(52.561221,0.00016436);(52.824516,0.00018735);(52.945485,0.00032127);(53.34517,0.00015212);(53.578197,0.00014516);(53.87253,0.00016142);(53.900634,0.00024353);(54.184847,0.00012837);(54.504104,0.00018635);(54.683597,0.00015865);(55.291725,0.00016709);(56.036455,0.00010057);(56.550481,0.00016152);(56.871662,0.00013771);(56.953506,0.00016506);(57.037017,0.00016164);(57.141638,0.00015304);(57.370675,0.00012914);(57.986171,0.00012662);(59.583562,0.00016564);(60.166577,0.00014971);(60.344363,0.00023762);(61.088388,0.00016699);(61.363553,0.00015667);(61.574712,0.00014967);(61.830537,0.00010654);(62.002231,0.0001778);(62.063499,0.00016008);(62.209189,0.00016498);(62.782328,0.0032947);(62.785984,0.00053146);(63.022659,0.00369389);(63.068621,0.00013256);(63.553193,0.00013643);(64.585441,0.00014206);(65.001914,0.00887161);(65.103363,0.00020346);(65.177434,0.000156);(65.303871,0.00015418);(66.166006,0.0001511);(66.53996,0.00018465);(67.00398,0.00018201);(67.349356,0.00021894);(67.956957,0.00016241);(68.929164,0.00017102);(69.295847,0.00018402);(69.591441,0.0001011);(69.795086,0.00014749);(70.101909,0.00018919);(72.021865,0.00023846);(72.375108,0.00016945);(72.936717,0.00019246);(73.782722,0.00017528);(74.734775,0.00016347);(74.863247,0.00013137);(74.949872,0.00018401);(75.320145,0.00014771);(76.06655,0.00019007);(76.968862,0.00017117);(78.135931,0.00017208);(78.342512,0.00016997);(78.625558,0.00015045);(78.722526,0.00017562);(79.043052,0.00018025);(79.956096,0.00021231);(80.361696,0.00018668);(80.412337,0.0001689);(81.178328,0.00019588);(82.057907,0.00016147);(82.083468,0.0001141);(82.325599,0.00019915);(83.255695,0.00018826);(83.763534,0.00015475);(85.04677,0.00009777);(86.304111,0.00018729);(86.324632,0.00017554);(87.817203,0.00019173);(89.038382,0.03030139);(89.151207,0.00018348);(89.198603,0.00014052);(89.265063,0.00014984);(89.275542,0.00018837);(89.645662,0.0001817);(89.691761,0.00016594);(89.850429,0.00022515);(90.04175,0.00019547);(90.079155,0.00016728);(90.808096,0.00017529);(91.006208,0.0001813);(91.017653,0.23863597);(91.020931,0.00185004);(91.996435,0.00017325);(92.02092,0.01346527);(92.156839,0.0002138);(92.263443,0.00022006);(92.577663,0.00018039);(93.033324,0.02907446);(93.628901,0.00016845);(94.036334,0.0001558);(94.830595,0.00017816);(95.048865,0.00113365);(95.468104,0.00017983);(97.162917,0.00014201);(97.345246,0.00017719);(97.489848,0.0002248);(98.255947,0.0001385);(98.686759,0.00017341);(98.718858,0.00018094);(100.859972,0.00010284);(101.142569,0.0002278);(101.158808,0.00015229);(101.933151,0.00011621);(102.517556,0.00019179);(103.017657,0.0085712);(103.261683,0.00017863);(103.511604,0.00017973);(105.033385,0.000652);(105.6668,0.00016671);(106.054699,0.00020902);(107.012481,0.00108301);(107.474189,0.0001582);(108.314183,0.00018357);(109.728657,0.00017592);(110.451953,0.00013949);(110.53375,0.00018578);(111.884287,0.00019182);(112.626356,0.0001212);(112.903297,0.00016237);(113.006367,0.00015883);(114.897043,0.00010873);(116.025499,0.00023958);(117.009387,0.00033586);(117.033376,1.0);(117.325662,0.00015996);(118.036697,0.08015706);(118.041124,0.00076215);(119.048982,0.00036632);(119.978246,0.00018703);(120.646258,0.00019692);(123.043963,0.00394779);(124.226863,0.00019574);(125.768586,0.00010236);(126.702765,0.0001857);(127.278778,0.00018466);(127.51383,0.00014346);(129.022927,0.00018979);(129.723456,0.00019096);(131.013431,0.00032866);(132.020519,0.01733695);(133.028311,0.13323172);(134.031695,0.00939464);(134.142952,0.00017645);(135.007572,0.17588095);(135.115481,0.00019459);(135.88489,0.00017631);(136.005734,0.00012383);(136.010966,0.01109202);(141.033524,0.00350572);(142.524158,0.0001708);(143.049064,0.00303326);(143.622899,0.00016798);(144.396608,0.00019911);(144.402597,0.00019586);(145.028604,0.00104673);(150.81632,0.00021268);(150.837873,0.00014555);(151.746022,0.00017339);(153.018254,0.03080221);(153.070358,0.00042785);(153.301595,0.00017104);(154.147753,0.00017101);(155.049143,0.00063718);(157.71823,0.00016813);(158.206878,0.0001581);(159.007992,0.00011955);(159.04426,0.00204065);(159.556218,0.00021015);(160.015648,0.00083115);(162.115198,0.00013201);(162.552416,0.0001112);(165.069793,0.00018612);(165.325879,0.00015743);(166.198107,0.00014827);(167.04943,0.00315156);(167.747935,0.00014225);(169.065026,0.01515318);(176.614406,0.00022632);(178.231757,0.00015213);(179.896235,0.00014205);(180.057304,0.03851686);(181.065311,0.00959698);(181.385997,0.00014356);(182.036543,0.00256815);(183.044402,0.00640471);(183.880131,0.00015682);(184.047986,0.0001646);(185.060037,0.00928109);(185.942476,0.00015572);(187.572414,0.00022736);(189.997634,0.00010038);(193.219801,0.00017276);(195.035435,0.00017219);(195.0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LC-MS/MSLC-ESI-QFTPositivehighView 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257.127383,0.00004011);(258.128541,0.00010582)
LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.163413,0.00014488);(50.536378,0.00015354);(50.537093,0.00037838);(50.609148,0.00012402);(50.82969,0.0001678);(50.832997,0.0002219);(50.865896,0.00027184);(50.903095,0.000208);(51.040277,0.00012441);(51.32673,0.00029812);(51.580573,0.00031447);(51.638092,0.00033865);(51.786261,0.00018032);(52.366418,0.00019173);(52.392999,0.00025418);(52.480064,0.00016784);(52.63658,0.00020332);(52.996367,0.00041985);(53.039335,0.01134503);(53.047063,0.00029537);(53.169604,0.00033786);(53.314104,0.00035672);(53.415332,0.00014247);(53.615108,0.0001343);(53.660086,0.00010718);(53.710131,0.00024246);(53.764067,0.00037241);(53.831662,0.00013869);(54.372052,0.00013563);(54.726723,0.00024399);(55.018575,0.00842146);(55.105374,0.0003224);(55.290823,0.00027073);(56.298392,0.00015531);(56.341088,0.0009936);(56.417411,0.00017014);(56.448186,0.00035555);(56.500984,0.00037216);(57.256265,0.00015278);(57.442962,0.00037313);(57.477155,0.00039814);(58.013101,0.00016677);(58.062498,0.00014548);(58.385517,0.00036494);(58.499224,0.00024416);(58.618983,0.00036858);(58.853723,0.00011013);(58.929674,0.00031262);(58.949822,0.00034338);(59.044771,0.0003373);(60.433886,0.00016431);(60.589321,0.00014292);(60.844874,0.00028267);(60.864475,0.00033673);(62.408957,0.00010861);(62.487334,0.00011286);(62.57018,0.00032525);(62.579263,0.00031657);(62.920202,0.00012757);(63.430961,0.00012704);(64.066002,0.00017701);(64.490472,0.00035926);(64.984147,0.0001599);(65.039275,0.05250464);(65.200932,0.00026562);(65.694522,0.0002604);(67.327211,0.00034489);(67.746238,0.00026233);(67.882378,0.00035259);(67.894962,0.00024948);(68.542291,0.00015695);(68.711829,0.00010449);(68.997787,0.212685);(69.018936,0.00033841);(69.034154,0.03278003);(69.793898,0.00020284);(69.951392,0.00036168);(70.001068,0.00226254);(70.044376,0.00012768);(70.416378,0.00023841);(70.949438,0.0001444);(71.419564,0.00017073);(71.589159,0.00016038);(71.646074,0.00017856);(71.664866,0.00010814);(71.677282,0.00037384);(74.081286,0.00035416);(74.106434,0.00023363);(74.170181,0.00016389);(74.219533,0.00012896);(74.296161,0.00025661);(75.242426,0.00033097);(75.542224,0.00014636);(75.764981,0.00019883);(75.984171,0.00034765);(77.115424,0.00012597);(78.694286,0.00029159);(79.786483,0.00013345);(79.811751,0.00031436);(80.35464,0.00012528);(80.440448,0.00026057);(80.920879,0.00032391);(81.013497,0.00042159);(81.034063,0.07993984);(81.435213,0.00019948);(81.853811,0.00042392);(82.037423,0.00170725);(86.091184,0.00019738);(86.999876,0.00019174);(87.090263,0.0002641);(89.039049,0.00175494);(89.270136,0.00027933);(90.878914,0.00015319);(91.010193,0.00040764);(91.054704,0.10068743);(91.265354,0.00012054);(92.058086,0.00216083);(92.66311,0.00036948);(92.754776,0.00039166);(93.033967,0.00261204);(94.041754,0.00015887);(94.164813,0.00046831);(94.347144,0.0001501);(94.827668,0.00033513);(95.013195,0.04616961);(95.049257,0.00037247);(95.52904,0.00037016);(96.529117,0.00012431);(97.849753,0.00013299);(98.975691,0.0026333);(101.372538,0.00016825);(103.054033,0.00014691);(103.662836,0.00036276);(103.888799,0.00011274);(105.195432,0.00042621);(105.388243,0.00025849);(105.428792,0.00026485);(106.618677,0.00037091);(106.758862,0.00043211);(107.049026,0.0002627);(108.444982,0.00047401);(109.028683,0.04955764);(109.489734,0.00041372);(109.784835,0.00019307);(110.032287,0.00054367);(110.303176,0.00030779);(111.044336,0.07599508);(112.047616,0.00035593);(114.078177,0.00038212);(115.054633,0.00060681);(115.390107,0.00037223);(116.186822,0.00035959);(116.284307,0.000343);(116.769896,0.00015908);(116.986096,0.00025909);(117.91037,0.00014757);(118.461335,0.00016227);(118.882742,0.0002607);(119.049356,0.35985959);(120.002737,0.00027266);(120.052675,0.02584362);(120.05709,0.00037707);(121.028605,0.06197341);(121.039753,0.02792331);(121.644259,0.00022686);(121.67931,0.00018134);(122.031879,0.00124376);(122.057274,0.00024144);(123.611241,0.00013899);(125.078337,0.00039271);(125.095063,0.00017746);(125.70734,0.0001583);(125.969381,0.00014669);(127.039037,0.02151119);(127.553338,0.00038947);(128.062041,0.00804935);(128.102273,0.00041216);(128.107639,0.00012878);(128.179993,0.00028654);(129.069994,0.00089419);(129.247795,0.00033076);(129.967456,0.00043405);(131.049054,0.00446024);(131.08534,0.00036981);(132.266907,0.00038539);(132.559886,0.00038466);(133.028412,0.00015678);(133.402898,0.0001335);(134.036061,0.00060924);(134.762525,0.0001268);(135.690588,0.00019217);(137.02332,0.717655);(138.026591,0.04597025);(138.249127,0.00032782);(138.798789,0.00020907);(139.423321,0.00014263);(139.790847,0.00028283);(141.06977,0.02980123);(142.761643,0.00012876);(143.085483,0.0037159);(143.933666,0.00034903);(143.967891,0.00011496);(144.790191,0.000148);(145.028382,0.4642057);(146.031674,0.04084799);(152.062006,0.00685604);(152.121212,0.00011771);(152.263468,0.0002656);(152.810136,0.00023998);(153.01785,0.00012492);(153.069877,0.02804621);(153.076285,0.0001555);(154.073035,0.00058007);(154.152237,0.00029343);(155.033799,0.16891895);(156.037086,0.00612893);(157.064704,0.01964238);(159.080397,0.00311426);(161.350896,0.00026538);(163.03926,0.00075055);(165.069925,0.00739611);(165.329571,0.00014806);(165.979839,0.00012646);(166.751904,0.00026668);(168.056786,0.00040373);(169.049722,0.00052666);(169.064808,0.03988748);(170.067801,0.00037152);(170.252084,0.00041701);(171.080337,0.01774989);(171.524167,0.0004426);(174.849708,0.00012541);(176.174251,0.00027427);(178.22853,0.00016986);(179.334205,0.0001905);(181.064833,0.04021583);(182.067961,0.00078822);(184.051932,0.00032545);(184.225127,0.00035898);(185.059466,0.00128033);(185.586545,0.00013432);(187.038867,0.00214948);(187.075295,0.01128871);(187.989933,0.00032839);(188.785031,0.00015933);(193.037956,0.000367);(194.391228,0.00040788);(195.044245,0.00019358);(195.233298,0.00016728);(198.190263,0.00035689);(198.365591,0.00013212);(199.075419,0.02482046);(200.327013,0.00013119);(200.566576,0.00044159);(206.111,0.00040003);(209.059509,0.00147498);(211.34018,0.000182);(213.054594,0.01461306);(214.058268,0.00046971);(215.845324,0.00031);(217.349775,0.00025562);(219.762936,0.00205399);(219.77842,0.00123271);(219.914777,0.00020915);(226.062761,0.00041617);(227.070181,0.07796001);(227.542239,0.00037376);(227.55538,0.0001904);(228.07345,0.00838489);(228.626218,0.00022949);(233.120664,0.00034671);(237.05452,0.00304119);(237.560764,0.00029813);(241.221983,0.00017056);(242.609955,0.00043087);(245.928308,0.00029857);(246.810793,0.00017933);(250.959951,0.00019042);(255.065032,1.0);(256.06837,0.15303592);(257.070596,0.00247083);(258.685627,0.00037175)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(27.0234751,0.0002420696);(43.01838972,0.0545233429);(51.0234751,0.0012052953);(55.01838972,0.3583577081);(65.03912516,0.0001138907);(67.01838972,0.0003833171);(69.03403978,0.025509124);(71.01330434,0.0001322209);(77.03912516,0.0001533905);(79.01838972,0.0705827995);(89.03912516,0.0007330561);(91.01838972,0.0004621368);(93.03403978,0.0002959662);(95.01330434,0.0003842737);(111.0446045,0.0048244446);(119.0496898,0.2025829156);(137.023869,0.7071352212);(145.0289544,0.0100408047);(163.0395191,0.0002734365);(171.0446045,0.0002119978);(177.0551691,0.0213726494);(183.0446045,0.0009977909);(187.0395191,0.0364746137);(199.0395191,0.0002144078);(201.0551691,0.1697593432);(211.0395191,0.0080382654);(213.0551691,0.3180453852);(225.0551691,0.5962871112);(227.0344337,0.2366437864);(229.0500838,0.1765195984);(255.0657338,96.99749964)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(27.0234751,0.032812858);(43.01838972,0.2461868383);(51.0234751,0.0977066315);(55.01838972,0.1629912409);(65.03912516,0.0030248614);(67.01838972,0.0153758766);(69.03403978,0.3248028008);(77.03912516,0.0077102615);(79.01838972,0.7748073986);(89.03912516,0.0123827925);(91.01838972,0.0026712655);(93.03403978,0.0028460005);(95.01330434,0.0167498044);(111.0446045,0.0313863638);(115.0183897,0.0022465552);(119.0496898,0.4154915266);(137.023869,1.214607438);(145.0289544,0.2951533286);(159.0446045,0.0026604991);(163.0395191,0.0080975535);(171.0446045,0.0182706522);(177.0551691,0.1323670441);(183.0446045,0.0180138381);(187.0395191,0.7325943229);(201.0551691,0.7386765981);(211.0395191,0.0573031649);(213.0551691,3.900338157);(225.0551691,3.624103479);(227.0344337,0.8922633969);(229.0500838,0.9511399438);(255.0657338,85.26521751)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(43.01838972,0.7742568647);(51.0234751,3.259985444);(55.01838972,5.47579914);(65.03912516,0.8221873728);(67.01838972,1.542439555);(69.03403978,2.314999008);(71.01330434,0.3964908498);(77.03912516,1.46022226);(79.01838972,6.783559467);(89.03912516,4.302961158);(91.01838972,0.9258096525);(92.99765427,1.31856003);(93.03403978,1.397983026);(95.01330434,4.289289385);(111.0446045,0.9045541111);(115.0183897,1.724371643);(119.0496898,6.924006619);(137.023869,19.80681063);(145.0289544,1.94526154);(163.0395191,0.8053682011);(171.0446045,0.7679536902);(183.0446045,2.290191162);(187.0395191,1.18102488);(199.0395191,0.3313113947);(201.0551691,1.792312808);(211.0395191,1.459679434);(213.0551691,5.274264086);(225.0551691,9.210203805);(227.0344337,1.676715501);(229.0500838,1.996218924);(255.0657338,6.845208363)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(41.00273965,0.0745268148);(49.00782503,0.0000614284);(63.0234751,0.0000589145);(65.00273965,0.0000799556);(67.01838972,0.0082166129);(75.0234751,0.0000581832);(77.00273965,0.0012269753);(83.01330434,0.0000290832);(87.0234751,0.0001248478);(89.00273965,0.0000309678);(91.01838972,0.0010726164);(92.99765427,0.0005662402);(108.9925689,0.0003202135);(109.0289544,0.1381322815);(117.0340398,0.2717158017);(119.0133043,0.0000174513);(135.008219,0.6510913451);(143.0133043,0.0033474529);(157.0289544,0.0000218519);(161.023869,0.0000620747);(169.0289544,0.0000622491);(175.0395191,0.0173616204);(181.0289544,0.0000759357);(185.023869,0.013744874);(199.0395191,0.0262521001);(209.023869,0.0019603803);(211.0395191,0.0829183754);(223.0395191,0.1798290618);(225.0187836,0.0733521322);(227.0344337,0.5348417852);(253.0500838,97.91884037)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(41.00273965,0.1006767435);(49.00782503,0.0052622781);(65.00273965,0.0011798487);(67.01838972,0.2027040564);(75.0234751,0.0026511418);(77.00273965,0.0170621254);(83.01330434,0.0011530834);(87.0234751,0.001439241);(89.00273965,0.0010346762);(91.01838972,0.0124341082);(92.99765427,0.0131562706);(108.9925689,0.0021363151);(109.0289544,0.3839653072);(117.0340398,0.7331359974);(119.0133043,0.0027294181);(135.008219,1.788182436);(143.0133043,0.2935084232);(145.0289544,0.0009400983);(157.0289544,0.001711538);(161.023869,0.0046725592);(169.0289544,0.0165578097);(175.0395191,0.0689594951);(181.0289544,0.0057719568);(185.023869,0.1773950534);(199.0395191,0.1230084257);(209.023869,0.0190647969);(211.0395191,2.044376186);(223.0395191,0.7160283642);(225.0187836,0.9017231156);(227.0344337,1.442926642);(253.0500838,90.91445249)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,2.690777825);(49.00782503,2.954046063);(63.0234751,0.7678267755);(65.00273965,1.261507706);(67.01838972,5.265606202);(68.99765427,0.208894979);(75.0234751,1.065768115);(77.00273965,2.084080676);(87.0234751,1.004970039);(89.00273965,0.2864631819);(91.01838972,2.790062262);(92.99765427,2.697034816);(109.0289544,6.187392147);(117.0340398,14.76137443);(119.0133043,0.3560900638);(135.008219,15.2832414);(143.0133043,2.823036287);(145.0289544,0.3010390708);(157.0289544,0.9526796758);(161.023869,0.3442559184);(169.0289544,0.7778980816);(175.0395191,0.2458850666);(181.0289544,0.5980508244);(185.023869,3.746838818);(199.0395191,2.736014071);(209.023869,0.3170440151);(211.0395191,6.705712665);(223.0395191,3.703269607);(225.0187836,0.8436554694);(227.0344337,2.888188038);(253.0500838,13.35129572)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(255.06518,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(255.06518,100.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(119.04914,45.0);(123.04405,14.0);(137.02332,100.0);(139.03897,21.0);(197.0597,23.0);(255.06518,85.0)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(253.05062,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(209.06079,4.0);(253.05062,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(135.00876,56.0);(159.04514,100.0);(185.06079,6.0);(185.06079,6.0);(195.04514,8.0);(209.06079,13.0);(253.05062,38.0)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
7,4'-Dihydroxyflavone 7,3',4'-Trihydroxyflavoneratplasma, urinegut microbiota metabolite1h-3h20-50 nmol/L<1%C15H10O5270.052823422 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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