Identification

PhytoHub ID
PHUB001322
Name
Phloridzin
Systematic Name
Not Available
Synonyms
  • Phloretin 2'-glucoside
  • Phloretin-2'-β-D-glucopyranoside
  • Phlorizin
CAS Number
60-81-1
Average Mass
436.413
Monoisotopic Mass
436.136946973
Chemical Formula
C21H24O10
IUPAC Name
1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
InChI Key
IOUVKUPGCMBWBT-QNDFHXLGSA-N
InChI Identifier
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.21e+00 g/l
LogS (ALOGPS)
-2.56
LogP (ALOGPS)
0.44
Hydrogen Acceptors
10
Hydrogen Donors
7
Rotatable Bond Count
7
Polar Surface Area
177.14
Refractivity
105.85169999999997
Polarizability
42.35851023236527
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.981092346304827
pKa (strongest acidic)
7.869757606252412
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Dihydrochalcones

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Flavonoid metabolites
Metabolite Sub-class
Dihydrochalcones metabolites

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
PhloridzinPolyphenolsFlavonoidsDihydrochalconesShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(127.035,0.002002);(149.057,0.003003);(151.036,0.0);(169.047,0.01501502);(173.054,0.0);(191.067,0.001001);(211.059,0.002002);(215.067,0.003003);(233.079,0.0);(235.056,0.003003);(239.07,0.0);(257.076,0.004004);(259.058,0.0);(274.896,0.0);(275.087,1.0);(275.184,0.0);(275.411,0.0);(275.509,0.0);(276.091,0.13513514);(276.2,0.0);(277.084,0.00600601);(281.075,0.0);(287.088,0.01101101);(288.089,0.001001);(299.086,0.03303303);(300.089,0.004004);(311.084,0.0);(315.08,0.0);(317.096,0.12212212);(318.101,0.01901902);(341.096,0.06706707);(342.101,0.01101101);(353.095,0.01901902);(354.101,0.003003);(365.096,0.00700701);(366.098,0.001001);(371.107,0.00700701);(372.112,0.0);(383.107,0.03203203);(384.108,0.00500501);(401.117,0.01901902);(402.121,0.001001);(419.129,0.03503504);(420.133,0.004004);(436.236,0.01001001);(437.136,0.02802803);(437.243,0.001001);(438.14,0.004004)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(107.047,0.01001001);(127.039,0.00800801);(131.044,0.0);(139.036,0.0);(145.048,0.001001);(149.059,0.02102102);(150.06,0.0);(151.038,0.00500501);(169.048,0.13013013);(170.051,0.00700701);(173.059,0.01001001);(174.062,0.0);(181.045,0.001001);(187.081,0.0);(191.066,0.00700701);(192.068,0.0);(193.05,0.003003);(205.043,0.0);(207.06,0.001001);(211.058,0.01401401);(212.062,0.001001);(213.046,0.0);(215.066,0.02002002);(216.07,0.001001);(217.046,0.001001);(233.078,0.00600601);(234.08,0.0);(235.056,0.03103103);(236.062,0.003003);(239.067,0.002002);(245.038,0.001001);(247.057,0.001001);(257.082,0.01401401);(258.082,0.001001);(259.058,0.00700701);(265.066,0.0);(269.091,0.0);(274.857,0.0);(275.088,1.0);(275.366,0.0);(275.516,0.0);(276.09,0.12612613);(277.07,0.01501502);(278.066,0.001001);(281.075,0.003003);(287.087,0.04704705);(288.094,0.00500501);(293.095,0.0);(295.077,0.00600601);(296.082,0.001001);(299.087,0.05105105);(300.091,0.00700701);(301.091,0.0);(311.088,0.003003);(313.102,0.0);(315.081,0.0);(317.097,0.12312312);(318.1,0.02002002);(319.113,0.0);(323.086,0.002002);(324.087,0.0);(335.088,0.0);(339.082,0.0);(341.097,0.0970971);(342.099,0.01701702);(347.097,0.0);(353.098,0.07207207);(354.099,0.01201201);(355.118,0.002002);(365.097,0.02302302);(366.099,0.004004);(371.109,0.00600601);(372.133,0.0);(383.107,0.03403403);(384.112,0.00600601);(390.22,0.0);(401.117,0.01401401);(402.128,0.001001);(409.227,0.0);(419.132,0.00800801);(420.131,0.0);(436.233,0.02002002);(437.16,0.0);(437.237,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(107.048,0.04504505);(108.044,0.0);(114.698,0.0);(121.065,0.01201201);(121.703,0.001001);(123.038,0.001001);(127.037,0.04304304);(131.046,0.02602603);(131.064,0.0);(132.05,0.002002);(139.037,0.00600601);(145.053,0.01401401);(145.08,0.0);(149.058,0.15715716);(150.059,0.01101101);(151.038,0.03003003);(152.047,0.002002);(152.616,0.002002);(153.012,0.0);(153.047,0.001001);(155.028,0.0);(157.071,0.001001);(159.079,0.003003);(161.076,0.001001);(162.055,0.001001);(166.03,0.002002);(168.734,0.001001);(169.048,0.70870871);(169.461,0.0);(170.051,0.03503504);(170.101,0.001001);(173.057,0.05705706);(173.129,0.0);(174.055,0.0);(174.073,0.001001);(175.036,0.0);(179.066,0.001001);(181.047,0.03403403);(187.071,0.00600601);(191.065,0.03703704);(192.07,0.003003);(193.048,0.07307307);(194.052,0.00600601);(197.055,0.004004);(199.076,0.003003);(199.959,0.0);(203.068,0.001001);(205.044,0.01001001);(206.047,0.0);(207.06,0.00800801);(209.041,0.001001);(210.141,0.0);(211.058,0.0960961);(211.167,0.0);(212.029,0.001001);(212.059,0.00700701);(213.064,0.0);(215.067,0.0970971);(215.189,0.0);(216.069,0.00600601);(217.049,0.00900901);(218.095,0.0);(219.058,0.003003);(219.595,0.001001);(221.071,0.001001);(223.048,0.00500501);(227.072,0.00700701);(229.039,0.00500501);(231.059,0.001001);(232.737,0.001001);(233.075,0.08108108);(233.172,0.001001);(234.082,0.01401401);(235.057,0.17717718);(236.063,0.02902903);(239.07,0.00600601);(241.053,0.00600601);(242.048,0.0);(245.037,0.00800801);(245.122,0.0);(247.057,0.07307307);(247.114,0.001001);(248.062,0.01401401);(249.071,0.0);(249.49,0.002002);(251.087,0.001001);(256.072,0.002002);(257.076,0.04404404);(257.164,0.0);(258.084,0.00600601);(258.127,0.0);(259.056,0.06706707);(259.158,0.001001);(260.065,0.00600601);(263.044,0.001001);(265.068,0.00500501);(269.085,0.00700701);(269.151,0.001001);(271.099,0.002002);(275.087,1.0);(275.195,0.01001001);(275.241,0.001001);(275.276,0.001001);(275.756,0.001001);(276.09,0.15015015);(277.069,0.05705706);(277.13,0.0);(278.069,0.004004);(278.917,0.0);(279.054,0.001001);(281.011,0.0);(281.079,0.02102102);(281.111,0.001001);(281.144,0.0);(282.033,0.0);(282.082,0.003003);(285.064,0.0);(285.133,0.0);(286.992,0.001001);(287.087,0.15215215);(287.215,0.001001);(288.094,0.01701702);(288.206,0.0);(294.099,0.0);(295.08,0.01901902);(295.137,0.0);(296.098,0.0);(299.087,0.08708709);(300.09,0.00700701);(301.08,0.003003);(304.085,0.001001);(307.212,0.002002);(309.06,0.0);(310.108,0.0);(311.093,0.01501502);(312.094,0.002002);(313.09,0.00500501);(315.08,0.0);(315.554,0.0);(317.098,0.13913914);(317.869,0.0);(318.101,0.01501502);(319.086,0.003003);(322.172,0.001001);(323.088,0.01201201);(324.099,0.003003);(325.127,0.001001);(327.114,0.001001);(333.1,0.001001);(335.087,0.02502503);(336.097,0.003003);(336.176,0.0);(337.08,0.003003);(338.114,0.0);(341.097,0.10810811);(342.101,0.00900901);(347.084,0.004004);(353.097,0.23323323);(354.106,0.03503504);(354.242,0.002002);(355.113,0.003003);(358.089,0.0);(364.977,0.0);(365.098,0.08508509);(365.149,0.0);(365.189,0.0);(365.312,0.0);(366.095,0.01001001);(366.144,0.001001);(371.107,0.003003);(371.186,0.001001);(383.11,0.03003003);(383.215,0.0);(384.12,0.003003);(385.127,0.0);(390.233,0.04104104);(390.317,0.002002);(391.225,0.001001);(392.217,0.002002);(398.732,0.0);(401.119,0.001001);(401.185,0.001001);(408.242,0.01901902);(409.226,0.02002002);(409.278,0.001001);(411.22,0.001001);(436.236,0.06306306);(436.292,0.001001);(436.39,0.0);(437.24,0.02202202);(437.356,0.002002);(438.236,0.0)
LC-MS/MSLC-ESI-ITFTPositivemediumView Spectrum(127.240364,0.02102102);(133.287827,0.02102102);(137.88884,0.02502503);(145.763504,0.02202202);(146.655045,0.02202202);(149.700211,0.02402402);(173.05925,0.02602603);(193.247757,0.02202202);(193.383408,0.02302302);(222.890564,0.02102102);(275.091309,0.20820821);(291.999146,0.02202202);(299.091949,0.20520521);(317.101868,0.63263263);(341.101837,0.52552553);(345.424286,0.02002002);(353.102448,0.05105105);(365.103943,0.04804805);(371.113647,0.08608609);(383.11264,0.33133133);(393.133362,0.26526527);(401.122955,0.17817818);(419.13327,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(140.226425,0.03103103);(148.939743,0.03103103);(150.947723,0.03303303);(165.777863,0.03103103);(177.000504,0.04104104);(210.422287,0.03503504);(220.590607,0.03503504);(229.520996,0.03403403);(275.091217,0.21521522);(299.091949,0.26926927);(317.101562,0.73473473);(330.376648,0.03503504);(341.101776,0.67267267);(353.103912,0.07407407);(365.101685,0.07707708);(371.11142,0.0980981);(383.111816,0.41541542);(393.132751,0.41441441);(401.121552,0.20620621);(419.132721,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(127.876068,0.03603604);(135.600174,0.03603604);(152.04071,0.04304304);(155.173096,0.03903904);(155.630203,0.03303303);(212.798706,0.03303303);(214.18486,0.03303303);(256.216187,0.03803804);(266.129822,0.03403403);(275.090576,0.2032032);(299.090973,0.23223223);(317.101837,0.61361361);(341.101624,0.70970971);(353.103668,0.11111111);(365.098114,0.08208208);(371.111328,0.11411411);(383.111542,0.44344344);(393.132843,0.38838839);(401.122437,0.24524525);(419.13269,1.0)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(65.00136,0.02002002);(65.00588,0.01401401);(81.02872,0.07207207);(81.03394,0.28528529);(82.04052,0.02202202);(83.00972,0.08708709);(83.01649,0.04304304);(84.01994,0.01801802);(84.0472,0.01401401);(84.14424,0.01101101);(84.25668,0.01901902);(85.01678,0.02002002);(93.02895,0.03303303);(93.03488,0.06206206);(95.01307,0.03003003);(95.04939,0.04904905);(96.01702,0.02302302);(97.03086,0.01301301);(107.01378,0.12512513);(108.02,0.02802803);(109.03303,0.01501502);(118.03477,0.01101101);(119.04832,0.24824825);(120.0518,0.02802803);(121.02586,0.01301301);(121.06383,0.03103103);(123.04406,1.0);(124.01471,0.03403403);(124.04137,0.01401401);(124.04778,0.02502503);(124.05482,0.01601602);(125.02245,0.34334334);(125.72618,0.01101101);(126.02047,0.02202202);(133.06496,0.01101101);(135.04382,0.04604605);(136.04349,0.01701702);(137.03278,0.01501502);(139.03755,0.01301301);(143.05035,0.02502503);(144.56009,0.01101101);(145.05803,0.01101101);(146.06093,0.01201201);(146.06824,0.01701702);(147.04103,0.01301301);(147.05215,0.02002002);(148.05081,0.01501502);(148.05727,0.01001001);(149.02185,0.04904905);(151.00238,0.17717718);(152.00687,0.01101101);(157.06754,0.01201201);(161.05759,0.01301301);(162.03642,0.01101101);(163.03386,0.01301301);(164.07846,0.01401401);(165.04935,0.01301301);(166.85634,0.01401401);(167.0284,0.11111111);(167.03564,0.24424424);(168.04031,0.04304304);(168.05615,0.01101101);(171.04083,0.03703704);(171.04958,0.01101101);(172.04735,0.01101101);(172.05699,0.02302302);(179.02414,0.01601602);(179.04221,0.02902903);(186.05966,0.02002002);(187.04077,0.01201201);(189.05135,0.03403403);(189.05794,0.06306306);(190.06096,0.01101101);(201.05978,0.01201201);(211.07227,0.01201201);(255.06026,0.01401401);(435.14618,0.01701702)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(81.0321,0.00800801);(83.01465,0.00700701);(93.03393,0.01001001);(93.03741,0.00500501);(99.04382,0.00500501);(119.04836,0.05305305);(123.04301,0.16116116);(124.05228,0.01301301);(125.02294,0.08908909);(135.04097,0.01201201);(139.04427,0.00600601);(151.00444,0.01201201);(153.01874,0.00500501);(167.03326,1.0);(168.03766,0.1001001);(169.03322,0.01501502);(169.06569,0.00700701);(179.02704,0.03503504);(179.03505,0.07007007);(180.03886,0.01501502);(181.03859,0.01001001);(187.07585,0.01001001);(189.05389,0.01501502);(191.03152,0.00900901);(229.08817,0.01101101);(255.06136,0.00600601);(255.07037,0.00700701);(273.07458,0.15515516);(274.06686,0.00700701);(274.08197,0.02902903)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(125.02311,0.01101101);(167.03386,0.01101101);(273.07599,1.0);(274.07968,0.18318318);(275.08133,0.02702703);(297.07333,0.01001001);(315.08505,0.01001001);(435.12961,0.20520521)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(125.02153,0.00500501);(167.02914,0.00900901);(167.03772,0.00700701);(273.07471,1.0);(274.07816,0.17617618);(275.07346,0.01401401);(275.0849,0.01901902);(435.12714,0.22822823)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(67.43805,0.02502503);(81.03318,0.26526527);(82.03556,0.01401401);(83.01192,0.07607608);(83.01878,0.01901902);(83.03593,0.01301301);(85.029,0.01101101);(91.01931,0.01201201);(93.0338,0.07607608);(94.03957,0.01101101);(95.01155,0.01301301);(95.04388,0.02902903);(95.0507,0.03103103);(96.0525,0.02502503);(97.02202,0.01401401);(104.02157,0.01501502);(107.01313,0.03903904);(107.04842,0.01601602);(117.02515,0.01001001);(119.04655,0.28828829);(120.05092,0.07707708);(122.03867,0.02402402);(122.57238,0.01001001);(123.0436,1.0);(124.01823,0.01101101);(124.0448,0.02002002);(124.05172,0.02202202);(125.02186,0.25325325);(125.04916,0.01701702);(131.00748,0.01001001);(135.04726,0.02602603);(137.01826,0.01101101);(143.04984,0.02102102);(145.02321,0.01001001);(145.06509,0.01101101);(145.26622,0.01701702);(147.047,0.01201201);(151.00305,0.06006006);(151.03947,0.01101101);(159.04105,0.01101101);(161.05928,0.03903904);(163.03865,0.01001001);(164.01767,0.01001001);(166.02582,0.01301301);(167.03409,0.2992993);(168.0374,0.04604605);(168.05902,0.01601602);(169.06023,0.02302302);(169.07236,0.01001001);(171.04041,0.04504505);(171.05159,0.01301301);(172.05382,0.01101101);(179.02701,0.02202202);(179.03906,0.01101101);(182.07234,0.01501502);(184.05437,0.01101101);(185.09303,0.01501502);(187.07411,0.03503504);(189.05408,0.08708709);(190.0219,0.01201201);(190.05664,0.03803804);(200.05013,0.01201201);(211.07005,0.02302302);(214.05794,0.01101101);(214.0751,0.01401401);(227.07172,0.01001001);(256.05515,0.01101101)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(79.05347,0.002002);(81.03207,0.00800801);(83.00857,0.002002);(93.02972,0.01301301);(109.02239,0.003003);(111.04469,0.003003);(113.73501,0.002002);(119.04777,0.03603604);(120.05283,0.003003);(123.04327,0.07707708);(124.01664,0.004004);(124.04488,0.003003);(124.05344,0.00900901);(125.02169,0.04904905);(126.03017,0.002002);(132.04713,0.002002);(135.04362,0.003003);(135.93068,0.002002);(138.03528,0.002002);(139.03477,0.002002);(139.37184,0.002002);(149.01755,0.01501502);(149.02507,0.00600601);(151.00175,0.00500501);(151.01019,0.003003);(152.00024,0.003003);(153.01189,0.003003);(167.03305,0.45245245);(168.03752,0.05605606);(169.03369,0.004004);(169.06323,0.002002);(176.0921,0.002002);(179.0338,0.04904905);(180.03282,0.002002);(181.04553,0.002002);(185.07214,0.003003);(187.06999,0.00500501);(189.0553,0.01401401);(189.07866,0.003003);(191.03355,0.00900901);(206.75591,0.003003);(207.42146,0.002002);(208.32585,0.003003);(210.3914,0.003003);(230.08199,0.003003);(233.03334,0.002002);(251.04788,0.002002);(253.99429,0.003003);(255.05626,0.00700701);(255.06813,0.00600601);(273.07446,1.0);(273.24832,0.003003);(274.07849,0.16216216);(275.07425,0.00600601);(275.08304,0.01301301);(277.36966,0.002002);(316.08994,0.003003);(355.94037,0.002002);(395.88974,0.003003);(418.12476,0.002002);(434.89996,0.002002);(435.1239,0.06206206);(435.21826,0.002002)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(81.02975,0.01301301);(93.03187,0.03103103);(119.04836,0.07707708);(123.04368,0.21421421);(124.0456,0.02102102);(124.05247,0.00900901);(125.02209,0.07507508);(126.0263,0.00600601);(149.02106,0.00700701);(149.02805,0.01501502);(150.99626,0.00600601);(151.00145,0.01401401);(163.0383,0.00800801);(165.05859,0.00800801);(166.0271,0.00500501);(167.03294,1.0);(168.03795,0.0950951);(169.03238,0.00600601);(169.04129,0.00600601);(169.0618,0.00700701);(179.03137,0.0990991);(179.04454,0.01001001);(180.04124,0.00800801);(189.04568,0.00700701);(189.05534,0.01201201);(191.02945,0.01001001);(211.07893,0.01401401);(229.08768,0.00800801);(255.05588,0.00900901);(256.06812,0.00500501);(273.07657,0.13713714);(274.07672,0.03803804);(275.07681,0.00700701)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(63.02022,0.00800801);(64.99524,0.01401401);(65.00186,0.01901902);(79.05801,0.01501502);(81.03347,0.31831832);(82.03294,0.01001001);(83.01328,0.10710711);(84.01468,0.00900901);(93.03267,0.14214214);(95.01173,0.02602603);(95.01652,0.01901902);(95.04646,0.02902903);(97.02838,0.01201201);(99.04316,0.01201201);(105.02975,0.00800801);(107.01074,0.05905906);(107.01704,0.02302302);(108.0162,0.01001001);(111.03591,0.01201201);(111.04218,0.00700701);(117.03289,0.01101101);(119.04885,0.23823824);(120.05465,0.03803804);(121.03017,0.00900901);(123.04359,1.0);(124.00942,0.00800801);(124.04558,0.03403403);(124.05151,0.02802803);(125.02313,0.16316316);(126.02761,0.02502503);(132.01068,0.01101101);(133.02544,0.01401401);(137.01979,0.02302302);(138.02469,0.01401401);(138.03189,0.01201201);(143.03951,0.01101101);(145.06668,0.03703704);(146.06473,0.01801802);(146.07233,0.00900901);(147.04369,0.04504505);(149.01859,0.00900901);(150.02753,0.00800801);(151.00262,0.13713714);(152.01076,0.01101101);(163.04129,0.01001001);(164.0152,0.01701702);(164.07353,0.01101101);(164.08536,0.01301301);(166.01884,0.01001001);(166.98364,0.01101101);(167.01054,0.01501502);(167.0321,0.28328328);(167.12036,0.01001001);(168.04175,0.03203203);(169.06441,0.03003003);(179.03448,0.04904905);(185.05655,0.01901902);(186.06969,0.02402402);(187.04233,0.01401401);(187.07903,0.00700701);(187.08614,0.00700701);(189.05453,0.07707708);(190.05991,0.01301301);(191.03392,0.00900901);(199.06058,0.00800801);(228.08328,0.01201201);(255.06172,0.01001001)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(81.03207,0.00800801);(93.02972,0.01301301);(119.04777,0.03603604);(123.04327,0.07707708);(124.05344,0.00900901);(125.02169,0.05005005);(149.01755,0.01501502);(149.02507,0.00600601);(151.00175,0.00500501);(167.03305,0.45245245);(168.03752,0.05605606);(179.0338,0.04904905);(189.0553,0.01401401);(191.03355,0.00900901);(255.05626,0.00700701);(255.06813,0.00600601);(273.07446,1.0);(274.07849,0.16216216);(275.07425,0.00700701);(275.08304,0.01301301);(435.1239,0.06206206)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(125.02393,0.00700701);(167.03445,0.00900901);(273.07468,1.0);(274.07825,0.1961962);(275.08099,0.02502503);(297.0726,0.01001001);(435.1254,0.23423423)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(93.03658,0.00700701);(119.04807,0.01401401);(119.0519,0.00500501);(123.04186,0.05405405);(125.02061,0.05505506);(151.00316,0.00700701);(167.03255,0.45145145);(168.03618,0.03003003);(179.03708,0.02502503);(180.03204,0.00600601);(189.05122,0.00700701);(273.07556,1.0);(274.07947,0.16716717);(275.08057,0.02702703);(276.08414,0.00900901);(297.07269,0.00900901);(435.1293,0.0980981)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(81.034,0.00800801);(93.03262,0.01201201);(119.04836,0.02702703);(123.04409,0.07207207);(125.02235,0.06106106);(135.04103,0.00600601);(149.02625,0.00500501);(151.00189,0.00700701);(167.03322,0.44344344);(168.03618,0.04904905);(169.04137,0.00600601);(179.03279,0.05905906);(189.0619,0.00600601);(273.07498,1.0);(274.07843,0.12812813);(275.0824,0.01201201);(297.073,0.00900901);(315.09253,0.00700701);(435.12805,0.07707708)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(83.01463,0.01301301);(93.03297,0.02002002);(119.04988,0.05105105);(120.05452,0.00600601);(123.04446,0.17317317);(124.05044,0.02002002);(125.02281,0.0960961);(126.02541,0.01101101);(135.04591,0.01201201);(149.02003,0.02202202);(149.02623,0.00800801);(151.00241,0.02002002);(165.05156,0.00600601);(167.03377,1.0);(168.03825,0.07507508);(169.03693,0.02102102);(179.03242,0.10610611);(187.06732,0.00600601);(187.07552,0.00700701);(189.0573,0.00700701);(191.03563,0.01401401);(211.0708,0.00500501);(229.08917,0.00700701);(255.06398,0.00600601);(273.07657,0.16216216);(274.07999,0.04004004);(275.08813,0.00800801)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(167.0659,0.26526527);(167.089,0.14414414);(167.0982,0.03903904);(167.1094,0.07607608);(167.1252,0.05905906);(167.1546,0.10810811);(167.2904,0.04804805);(179.0332,1.0);(179.0766,0.04804805);(187.0735,0.05405405);(189.0561,0.10510511);(191.0369,0.09009009);(201.0473,0.05705706);(229.0864,0.07807808);(255.0696,0.15715716);(273.0781,0.57657658)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(119.4928,0.00500501);(125.0212,0.00800801);(167.0349,0.05005005);(273.0756,1.0);(273.1199,0.01901902);(273.1642,0.01701702);(273.2236,0.01301301);(273.4112,0.00800801);(273.439,0.00600601);(273.6668,0.00600601);(297.0705,0.00900901);(435.1265,0.21121121)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.389472,0.00013382);(50.53712,0.00010873);(50.558877,0.00009097);(50.995176,0.00006904);(51.104224,0.00011052);(51.396523,0.00010356);(52.127413,0.00014415);(52.13289,0.00013488);(52.260569,0.0001214);(52.500021,0.00010902);(52.523809,0.00006894);(52.594618,0.00227897);(52.649929,0.00010937);(53.617623,0.00010702);(53.76169,0.00009736);(53.964601,0.00007466);(54.03891,0.00007262);(54.423165,0.00007321);(55.033346,0.00010966);(55.146988,0.0000921);(55.487531,0.00011637);(56.483172,0.0001029);(56.583316,0.00010596);(56.670469,0.00007337);(56.754185,0.00010628);(57.033149,0.00019224);(57.548811,0.00011176);(58.149646,0.00009604);(59.012302,0.00009982);(59.202585,0.00009001);(59.293098,0.00007418);(59.506284,0.00006737);(59.949944,0.00007173);(60.029437,0.00009363);(60.141751,0.00010515);(60.270489,0.00013294);(60.474147,0.00006271);(62.718508,0.00008307);(62.726702,0.00011655);(62.80357,0.00012152);(63.086425,0.00007398);(63.739045,0.00007911);(64.805674,0.00010554);(65.117178,0.00011428);(65.46147,0.00010995);(65.496603,0.00009521);(66.284434,0.00010367);(66.433648,0.00009358);(66.764226,0.00021591);(67.263712,0.00011751);(68.30143,0.00010204);(68.313428,0.00006541);(68.734307,0.00011047);(70.89857,0.00010749);(71.272756,0.00008391);(73.634807,0.00009863);(73.828874,0.00011367);(75.373688,0.00007875);(76.725424,0.00012659);(77.778756,0.00011192);(78.12535,0.00008484);(78.616455,0.00012995);(79.590008,0.00012614);(79.746071,0.00008592);(80.451902,0.00009787);(80.641855,0.00011049);(81.033118,0.00280643);(81.336696,0.00007385);(81.788773,0.00010365);(82.025869,0.00010287);(82.622187,0.00012489);(83.01018,0.00010671);(83.012511,0.00495418);(83.461243,0.00010406);(84.084421,0.00010904);(84.409918,0.00007896);(85.012364,0.0000859);(85.467458,0.00011387);(88.586712,0.00010127);(89.842019,0.00010027);(90.06932,0.00008863);(92.79649,0.00008273);(93.033149,0.02982538);(93.540433,0.00010332);(93.661449,0.00013112);(93.954913,0.00010013);(94.036449,0.00086401);(94.551102,0.00013964);(95.709345,0.00009345);(96.071718,0.0001154);(98.796745,0.00011302);(98.952784,0.00010623);(99.69805,0.00007085);(99.753667,0.00010455);(103.369196,0.00012559);(103.97777,0.00008651);(104.718574,0.00010669);(105.453462,0.00009929);(106.404778,0.00011292);(106.543316,0.00006987);(108.020624,0.00010233);(108.793601,0.00008591);(109.92888,0.00009375);(112.610482,0.00069545);(113.712587,0.00014862);(118.612088,0.00007602);(119.044442,0.00012307);(119.048906,0.0196934);(120.052133,0.00022441);(120.484113,0.00008647);(121.899504,0.00009908);(122.53872,0.00011046);(123.043793,0.04412756);(124.047106,0.00204053);(124.474392,0.00007934);(124.631198,0.00009921);(125.02307,0.10398189);(126.02641,0.00562036);(129.860592,0.00007953);(132.634548,0.0001102);(132.738433,0.00009957);(134.32328,0.00010026);(134.49412,0.0001122);(135.043664,0.00060696);(135.732721,0.00008687);(136.82246,0.00009444);(137.978555,0.00010674);(138.226547,0.00011083);(138.698304,0.00007815);(139.009535,0.00010397);(139.038784,0.00123088);(141.945354,0.00008197);(144.879432,0.00010137);(144.985161,0.00011162);(149.02311,0.01445609);(150.026106,0.00008084);(150.325367,0.00011819);(151.002397,0.00248599);(153.742863,0.0000873);(154.135778,0.00010889);(163.038918,0.00142147);(163.920255,0.00012846);(165.054403,0.00408777);(165.829741,0.00010078);(167.020515,0.00154006);(167.033787,1.0);(167.493268,0.00012123);(167.629396,0.00008537);(168.037118,0.07573935);(168.132718,0.00011613);(168.269782,0.00013593);(168.984565,0.00011313);(169.038658,0.00360197);(169.27728,0.00011663);(173.7497,0.00012925);(177.638927,0.00010317);(179.033879,0.09429081);(179.708533,0.00010366);(180.028114,0.00007797);(180.037434,0.00766289);(182.984972,0.00008973);(184.568411,0.0000806);(185.211623,0.00012099);(185.983363,0.00012418);(185.994922,0.00009763);(187.075465,0.00145813);(189.054765,0.00064081);(190.025808,0.00119051);(191.033972,0.01351713);(195.928809,0.00009858);(197.818423,0.00010936);(199.577848,0.00010034);(203.103224,0.0001238);(207.046254,0.00012041);(208.025786,0.0000851);(208.406347,0.00014146);(209.042925,0.00008199);(210.852238,0.00012794);(212.570402,0.00007717);(213.886191,0.0005173);(213.899398,0.00295553);(213.906656,0.00310768);(213.921347,0.00025783);(222.048494,0.00009032);(222.908775,0.00010879);(229.086246,0.01292969);(230.089796,0.00037961);(232.157884,0.0001251);(232.930437,0.0000919);(244.062354,0.00010177);(244.730672,0.00009637);(248.004271,0.00012266);(252.435415,0.00012837);(255.065626,0.00401583);(261.687007,0.00009576);(263.262711,0.00009652);(264.025511,0.00011302);(269.081345,0.00149401);(273.049063,0.00029725);(273.076551,0.70112882);(274.07996,0.10598574);(275.08254,0.00719274);(275.547575,0.00011639);(279.417062,0.00009514);(279.640427,0.00010378);(280.256444,0.00007533);(286.896478,0.00012232);(287.659579,0.0000816);(287.672052,0.00013617);(294.603374,0.00008363);(297.076236,0.00211007);(305.027685,0.00008692);(307.942642,0.00009441);(308.003816,0.00012053);(314.151452,0.0001286);(327.279444,0.00008596);(331.303211,0.00010351);(333.442456,0.00009862);(355.048522,0.00010096);(364.545021,0.00010751);(365.80693,0.00009631);(371.8288,0.00008456);(372.762904,0.0001707);(375.784603,0.00009429);(380.805738,0.00011859);(390.001478,0.0001378);(390.090532,0.00007852);(420.673175,0.00012671);(420.982313,0.00009746);(428.944531,0.00012235)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.388755,0.00013499);(50.683647,0.00013674);(50.966829,0.00016123);(52.062521,0.00014249);(54.5063,0.00018243);(54.583368,0.0001324);(55.530871,0.00017531);(56.079649,0.000132);(56.645096,0.00017744);(56.774551,0.00017965);(57.033141,0.00462204);(57.102445,0.00022268);(57.586453,0.00013535);(58.190787,0.00014013);(58.782548,0.00010754);(58.929416,0.00014595);(59.012413,0.00033594);(59.841183,0.00019852);(60.535531,0.00015185);(60.742129,0.00020356);(61.986927,0.00014143);(62.46546,0.0001673);(63.126683,0.00019222);(63.654168,0.00016283);(65.001799,0.00048604);(65.015356,0.00010954);(66.037819,0.00009579);(66.863714,0.00016391);(68.507587,0.00019486);(68.931841,0.00022039);(70.074069,0.00016095);(70.621433,0.00016313);(71.141647,0.0001796);(71.164707,0.00014499);(71.22279,0.00018343);(71.327889,0.00020442);(75.009984,0.00011525);(75.31967,0.00015406);(75.646013,0.00017039);(75.661264,0.00014649);(76.470896,0.00010415);(76.689105,0.00019907);(77.087317,0.00018854);(78.539956,0.0001286);(79.985132,0.00016499);(80.169022,0.00018528);(80.238948,0.00018353);(81.033134,0.03344917);(82.877326,0.00019782);(83.012356,0.01560616);(83.164201,0.00014767);(83.807794,0.00019643);(84.143965,0.00016242);(84.558323,0.00016703);(85.271653,0.00023105);(85.458272,0.00015043);(85.48676,0.00019663);(85.849813,0.00023169);(86.165904,0.00016473);(88.472149,0.00013245);(88.490075,0.0001569);(88.839322,0.0001675);(90.956945,0.00020181);(93.033161,0.06115014);(94.036424,0.00168495);(94.80975,0.00019159);(95.048779,0.00022069);(95.180781,0.00019059);(95.735409,0.00026028);(96.236709,0.00021568);(97.773672,0.0001878);(99.043544,0.00024215);(99.133181,0.00018625);(101.92625,0.00018007);(102.921073,0.00019257);(103.214292,0.00011401);(105.067544,0.00018135);(105.58355,0.00014798);(107.01238,0.00069274);(109.23064,0.00012205);(109.642649,0.00029644);(111.043692,0.0007857);(111.637065,0.00018892);(113.702663,0.00016209);(114.279104,0.00023623);(116.541487,0.00016239);(119.048883,0.0756875);(120.05227,0.00378112);(120.910324,0.00011688);(123.043779,0.21125702);(124.04709,0.01201404);(125.023059,0.13532839);(126.0263,0.00662245);(126.505463,0.0002046);(129.58398,0.00017408);(129.75209,0.00023136);(130.063446,0.00016452);(131.670119,0.00011193);(133.349915,0.00017793);(135.043853,0.00909844);(135.385103,0.0001133);(137.022702,0.00015525);(137.97853,0.00014644);(138.274624,0.00013114);(139.038631,0.00101109);(140.570038,0.00019629);(145.06484,0.0001106);(145.408823,0.00012698);(146.745216,0.0001788);(149.02305,0.01613306);(150.889123,0.00011952);(151.002477,0.01566491);(151.039523,0.00018015);(151.458878,0.0001441);(151.635133,0.00019982);(154.164568,0.00019363);(162.837525,0.00026379);(163.038786,0.00219022);(165.054161,0.00126198);(166.025958,0.00051563);(166.994484,0.00085242);(167.033801,1.0);(167.074219,0.00065684);(167.602599,0.00016665);(168.028798,0.00020547);(168.037111,0.07408704);(169.038299,0.00324921);(171.89571,0.00016093);(175.187337,0.00020052);(178.436608,0.0002209);(179.033834,0.10705038);(179.094714,0.00019284);(180.03726,0.00915562);(181.475814,0.00013621);(181.615884,0.00015773);(187.075442,0.0037809);(189.054582,0.00947432);(189.064511,0.00016444);(189.610456,0.00017303);(190.026321,0.00016723);(190.890876,0.00018354);(191.03399,0.00865839);(193.274822,0.00020394);(193.805517,0.00019976);(195.335079,0.00022577);(195.746205,0.000127);(203.483337,0.00021198);(203.661638,0.00011794);(211.12403,0.00020729);(212.242,0.0001961);(213.894933,0.00564741);(213.903265,0.00688437);(216.117474,0.00018662);(221.085165,0.00016472);(221.898701,0.00017498);(223.305877,0.00020791);(228.349452,0.00018963);(228.687343,0.00014848);(229.086336,0.01162127);(230.375074,0.00016782);(232.936926,0.00018674);(234.988623,0.00015793);(238.426643,0.00020883);(243.120023,0.00020696);(244.036507,0.00019859);(248.004975,0.0001471);(255.065893,0.00952513);(255.821394,0.00013934);(258.016255,0.00017495);(264.764029,0.00022899);(269.532127,0.00012326);(272.35026,0.00020332);(273.076574,0.12903218);(274.079919,0.01937378);(275.082225,0.00023983);(277.806896,0.00014217);(285.014701,0.00018289);(291.066077,0.00023926);(292.207111,0.00018803);(299.23234,0.00018095);(303.043795,0.0002294);(310.509366,0.00020471);(315.398292,0.00014827);(320.0661,0.00018427);(320.087732,0.00016049);(320.445549,0.00020396);(326.688559,0.00023068);(332.977453,0.00017444);(333.048878,0.00015197);(334.368848,0.00026617);(335.67186,0.00021317);(339.266984,0.000133);(341.149682,0.00023123);(347.54683,0.00019695);(351.614969,0.00020329);(359.900485,0.00017095);(362.657026,0.00019708);(364.787378,0.00015681);(369.108524,0.00016695);(371.364161,0.0001561);(374.357301,0.00021807);(418.194946,0.00013585)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.223971,0.00033066);(50.710561,0.00042297);(51.26269,0.00038809);(52.862013,0.00027415);(52.911524,0.00051576);(54.259225,0.00054453);(54.702444,0.00063848);(55.085058,0.00029002);(55.699268,0.00047391);(56.377805,0.00030194);(56.683275,0.0003456);(56.751006,0.0006197);(57.033137,0.08973892);(57.219559,0.00053525);(57.658302,0.00048886);(57.659968,0.00055767);(58.16646,0.0005327);(58.277921,0.00028725);(58.41601,0.00028759);(59.012406,0.0181185);(59.257193,0.00069182);(59.37612,0.00045452);(59.898446,0.0007828);(60.507552,0.00035352);(60.577123,0.00030057);(60.57825,0.00036684);(60.815736,0.00031405);(61.020949,0.00052528);(61.325811,0.000645);(61.451829,0.00050037);(61.823187,0.00051871);(62.596226,0.00041173);(63.022613,0.00318403);(63.931439,0.0003417);(64.078894,0.0004466);(64.876955,0.00061875);(65.001808,0.06028103);(65.838888,0.0004188);(67.017474,0.00170984);(67.34568,0.00047449);(68.295911,0.00055512);(68.996736,0.00383291);(69.033047,0.00680054);(69.664757,0.00055895);(72.320478,0.00046698);(72.362159,0.00030959);(72.460985,0.000377);(72.53356,0.00046835);(73.409394,0.00035797);(73.473945,0.00057261);(74.674756,0.00034832);(77.242035,0.00045832);(77.577402,0.00058147);(78.685198,0.00045124);(78.69797,0.00052886);(79.053783,0.00156047);(79.985231,0.00055128);(80.025269,0.00036553);(80.208228,0.00050862);(80.640576,0.0005049);(81.01986,0.00057673);(81.033136,0.54864061);(82.036403,0.02130749);(82.48654,0.00054947);(83.012388,0.21068293);(84.015747,0.00436652);(84.263207,0.00072053);(84.386155,0.0004904);(84.46448,0.00054652);(85.539938,0.00032769);(86.460871,0.00053375);(86.473064,0.00042977);(90.11019,0.00040107);(90.678664,0.00045537);(91.123421,0.00034008);(91.689278,0.00030584);(92.983187,0.00037122);(93.033168,0.21211556);(94.03655,0.00633738);(95.012393,0.02244689);(95.048838,0.02876872);(97.027973,0.0013198);(99.043725,0.00950314);(102.711624,0.00038642);(104.691125,0.00036543);(104.786317,0.00033008);(105.033273,0.00083338);(105.864227,0.00035367);(106.243667,0.00050945);(106.689235,0.00052213);(107.012431,0.0537826);(107.048766,0.00135609);(108.016228,0.00056155);(108.020113,0.0022267);(108.401914,0.00059408);(108.985858,0.00053191);(109.027866,0.00043233);(111.043694,0.00755602);(112.0035,0.00048839);(112.095292,0.00044921);(112.523469,0.00032141);(114.699566,0.0005269);(115.106694,0.00044099);(117.660636,0.0004377);(119.048893,0.3093246);(119.506001,0.00039122);(120.052252,0.02347102);(120.777886,0.00066787);(121.028169,0.00769463);(121.315075,0.00049055);(121.835204,0.00051268);(122.036111,0.00101818);(123.04378,1.0);(123.457722,0.00032616);(124.015139,0.00333791);(124.047052,0.05771966);(124.253094,0.00048511);(125.023045,0.28314104);(126.026359,0.0122668);(126.231317,0.00046499);(128.922858,0.00054596);(130.714282,0.00054016);(131.238413,0.00051258);(132.769945,0.00070482);(133.984006,0.00053957);(135.043887,0.04679678);(135.099654,0.00030732);(137.023039,0.00635022);(139.038656,0.00113112);(139.100467,0.00057317);(141.447641,0.00072443);(141.992778,0.00056148);(142.644545,0.00038508);(145.064592,0.00456819);(145.89575,0.00035836);(146.976557,0.00056126);(147.04382,0.00765267);(147.059752,0.00056701);(148.556172,0.00049564);(149.023051,0.04134739);(149.413622,0.00040465);(151.002421,0.12272006);(151.373981,0.00052955);(151.77665,0.00033801);(152.005618,0.00158061);(152.281843,0.00029526);(153.017814,0.00041298);(153.187858,0.00031572);(153.924196,0.00048355);(154.286961,0.00050792);(156.536838,0.00036141);(156.817954,0.00047949);(157.909482,0.00034336);(159.288523,0.00033183);(159.713335,0.00040241);(160.341459,0.00053666);(161.059031,0.00052799);(163.03899,0.00219804);(163.075,0.00058184);(163.797546,0.00065064);(166.025926,0.00648483);(166.395314,0.00037291);(167.033812,0.53163891);(167.041614,0.00788692);(168.037154,0.03458764);(169.064762,0.01304597);(170.171775,0.00057193);(171.044072,0.0115646);(175.000887,0.00048395);(175.853741,0.00043044);(178.896326,0.00036603);(179.033814,0.07323788);(180.037423,0.00333509);(183.77917,0.00076081);(185.059667,0.00290037);(186.06805,0.00047903);(187.075406,0.0050481);(189.054641,0.07056065);(189.990634,0.00050447);(190.058141,0.00236162);(191.033882,0.0014717);(192.144868,0.00063015);(195.066281,0.00051925);(200.690035,0.00040348);(209.061261,0.00051494);(211.075548,0.01174807);(213.515552,0.00046042);(218.660518,0.00045855);(219.607072,0.00059091);(220.197473,0.00329775);(220.207162,0.00245292);(220.257399,0.00053647);(228.385719,0.00072726);(240.893617,0.00059866);(245.532906,0.00055225);(249.13456,0.00051228);(249.924202,0.00058158);(251.980109,0.00039912);(255.065697,0.00564638);(259.267536,0.00046867);(273.078461,0.00053857);(275.073347,0.00094708);(282.427844,0.00073785);(302.315596,0.00052614);(309.349205,0.00048197);(311.599224,0.00075827);(311.954347,0.00046223);(315.886165,0.00051067);(329.662344,0.0005317);(353.162469,0.00047427);(356.07068,0.00069666);(357.014504,0.00054945);(357.65163,0.00068033);(363.64182,0.00056165);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LC-MS/MSLC-ESI-QFTPositivemediumView 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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.742866,0.0000928);(51.00079,0.00012137);(51.05578,0.00011113);(51.716918,0.00020825);(51.839761,0.00009785);(51.886515,0.00031075);(52.680669,0.00009945);(52.736173,0.00018957);(53.039319,0.00140001);(54.77901,0.0003191);(55.018559,0.00691105);(55.01989,0.00052692);(55.054968,0.00364637);(55.787932,0.00008913);(56.619765,0.00011638);(56.965608,0.00013064);(57.034217,0.00595186);(57.07059,0.01771823);(57.334445,0.00012307);(58.065779,0.00127797);(58.116988,0.00029442);(58.754188,0.00046453);(59.049808,0.00009156);(60.241615,0.00046845);(61.029101,0.00502093);(62.019167,0.0003264);(62.879288,0.00039285);(62.982401,0.0009632);(64.728826,0.00010377);(65.532642,0.00011271);(65.938932,0.00024496);(66.21261,0.00045414);(67.054874,0.00614499);(67.508481,0.00015543);(68.377481,0.00058814);(68.997869,0.00040235);(69.03415,0.00910449);(69.070516,0.00556524);(70.065752,0.00086673);(71.049818,0.00106539);(71.086137,0.00736854);(73.02902,0.00207388);(73.124141,0.00009662);(74.514175,0.0001041);(75.15646,0.00009988);(75.67226,0.00009864);(75.761401,0.0005007);(77.039206,0.00010773);(77.696282,0.00031429);(78.232858,0.00013125);(78.544244,0.00014726);(79.021945,0.00088339);(79.054722,0.00441545);(79.299094,0.00049492);(79.511516,0.00043225);(80.625516,0.00011932);(81.034044,0.00505636);(81.042752,0.00011039);(81.070368,0.0107399);(83.013184,0.00012038);(83.049752,0.00030412);(83.085981,0.00286499);(83.420506,0.00010055);(84.081343,0.0001731);(84.735026,0.00011125);(85.028852,0.04230115);(85.101641,0.00174379);(86.032145,0.00046016);(87.044508,0.00311674);(88.021876,0.00082065);(88.076074,0.00013106);(88.411982,0.00012768);(88.689839,0.00057318);(89.060086,0.01543233);(89.136011,0.00010249);(91.054676,0.00392769);(91.05773,0.00012806);(92.057991,0.00052857);(92.300776,0.0004754);(93.070268,0.00438927);(95.049552,0.00448978);(95.085895,0.01463785);(96.591744,0.00009883);(97.028782,0.01207738);(97.101496,0.00096594);(97.326742,0.00026959);(98.032284,0.00053629);(98.255143,0.00033302);(98.478317,0.00052194);(98.975661,0.00022874);(99.04449,0.00096243);(99.080834,0.00029378);(100.075925,0.00118811);(100.71348,0.00035389);(102.13937,0.00048202);(102.482184,0.00031056);(103.039283,0.00479821);(103.844445,0.00032504);(105.070158,0.00198809);(105.137631,0.00027299);(105.198114,0.00023541);(106.411534,0.00010164);(107.04936,1.0);(107.085687,0.00641743);(107.423509,0.00052009);(107.427867,0.00046491);(108.052678,0.06901989);(109.028606,0.00833314);(109.101329,0.00637921);(112.011848,0.00010078);(115.075307,0.00041311);(115.226026,0.0006357);(115.403056,0.00023554);(116.052963,0.0009398);(116.564001,0.00032092);(116.580495,0.00057102);(116.985996,0.00025212);(117.663783,0.00011549);(118.829352,0.0003114);(119.085606,0.00433735);(121.028781,0.0003968);(121.064907,0.0085438);(121.101239,0.00529724);(121.641135,0.00020114);(123.044165,0.00790996);(123.116887,0.00107623);(124.04111,0.00011389);(125.059302,0.00011508);(125.09613,0.00014947);(127.03896,0.01540711);(129.184541,0.00010617);(131.049071,0.01621286);(131.085421,0.00058501);(131.416689,0.00012844);(132.136171,0.00022787);(132.200615,0.00054965);(133.064604,0.00013892);(133.086046,0.0004234);(133.101088,0.00260007);(134.096466,0.00033416);(134.996463,0.00064495);(135.044487,0.00038204);(135.080243,0.0010934);(135.116623,0.00125289);(136.401413,0.00025343);(137.058949,0.000136);(137.095693,0.0001594);(139.03882,0.01384893);(140.958935,0.00164636);(141.993248,0.00011424);(144.056737,0.00049562);(145.018636,0.00033582);(145.064681,0.00189329);(145.101233,0.00013308);(145.816914,0.00012873);(146.981549,0.0001798);(147.043961,0.00800837);(147.116748,0.00186259);(148.925364,0.00032528);(149.023036,0.00097556);(149.059617,0.0449627);(149.132371,0.0014226);(149.357253,0.00048009);(150.063079,0.00060049);(151.038787,0.02454717);(151.814726,0.00039643);(152.953051,0.00011484);(152.989342,0.00012711);(153.018085,0.14057084);(154.021392,0.02577151);(155.022506,0.00086058);(156.137893,0.00027241);(157.064248,0.00011777);(159.116866,0.0001143);(160.538998,0.00010393);(161.059033,0.00070598);(161.131979,0.00093386);(163.038831,0.00919168);(163.075178,0.0001182);(163.146505,0.00028358);(164.920362,0.00083755);(165.018283,0.0008746);(165.054488,0.00684944);(166.754267,0.00013964);(167.033664,0.00065509);(167.197048,0.00024091);(169.015966,0.00044712);(169.049276,0.05502782);(170.052559,0.00183496);(170.451893,0.00024323);(171.430278,0.0001073);(173.059431,0.02622666);(173.658003,0.00011464);(174.063229,0.00038236);(175.038964,0.00309697);(175.148206,0.00015069);(175.553547,0.0001296);(177.054393,0.00137006);(180.70356,0.00011106);(181.049361,0.04837053);(182.052865,0.0030222);(185.060111,0.00105974);(187.075486,0.00260852);(189.054343,0.00631398);(189.163714,0.00206424);(191.070195,0.00030367);(193.049408,0.06383771);(193.05918,0.00076269);(194.052796,0.00536824);(197.059552,0.00093783);(198.475388,0.00013747);(201.05422,0.00013626);(202.18231,0.00011497);(202.252981,0.0006222);(202.73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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.001189,0.00030926);(50.267221,0.00021408);(50.439948,0.00040469);(50.955448,0.00039133);(51.55812,0.00041546);(51.870981,0.00013387);(52.42015,0.00010437);(52.836887,0.00050101);(52.928981,0.00037605);(52.965639,0.00010835);(53.002919,0.00063148);(53.039291,0.01651174);(53.587793,0.00009503);(54.178367,0.00009553);(54.364916,0.00023742);(54.402171,0.00039911);(54.636019,0.00040539);(55.018567,0.02011673);(55.054938,0.01351729);(55.121387,0.000401);(56.022027,0.00024522);(56.050165,0.00072469);(56.309286,0.0000988);(56.433348,0.00058529);(56.965489,0.00364286);(57.034193,0.00755079);(57.070581,0.02010011);(58.06583,0.00399148);(58.657116,0.00010261);(59.289663,0.00057816);(59.759579,0.00012318);(59.990935,0.00089646);(60.30945,0.00009652);(60.335476,0.00011459);(61.011268,0.00067514);(61.029064,0.00778337);(61.20217,0.00031666);(61.994548,0.00012039);(62.01905,0.00054199);(62.209533,0.00044325);(62.239052,0.00049147);(62.584206,0.00012474);(62.982372,0.00106612);(63.244972,0.00030906);(63.442814,0.0001229);(63.759617,0.00011497);(64.591878,0.00044335);(64.830997,0.0001132);(65.039233,0.00038289);(67.018489,0.00669071);(67.054868,0.01546714);(67.187573,0.0001144);(67.189416,0.00060832);(67.191943,0.00293656);(67.396638,0.00009316);(67.501053,0.00011456);(68.050126,0.00009759);(68.997718,0.00826166);(69.034105,0.02225596);(69.070486,0.00883214);(69.3798,0.00019138);(69.9848,0.0003017);(70.065722,0.00274761);(70.247152,0.00054041);(70.297765,0.00025096);(70.362959,0.00038454);(71.049718,0.00137131);(71.086088,0.00186901);(71.367949,0.00020399);(72.045202,0.00011736);(72.552785,0.00046996);(72.932448,0.00010747);(73.028931,0.00362856);(73.067416,0.00010685);(76.501824,0.00019239);(77.039203,0.00230418);(77.488163,0.00010916);(78.209456,0.00009342);(78.769305,0.00011336);(79.021643,0.0004893);(79.054739,0.02569543);(80.000185,0.00012247);(80.049907,0.00014755);(80.057862,0.00012651);(80.367213,0.00046338);(80.621336,0.00054912);(81.033995,0.01146077);(81.070383,0.01506491);(82.014545,0.00010125);(82.065676,0.00012599);(83.01321,0.00157188);(83.049654,0.00310778);(83.086062,0.00051652);(84.045244,0.00011637);(84.081532,0.00039421);(84.835242,0.00051212);(85.028855,0.03494517);(86.032186,0.00012677);(86.096933,0.00023646);(86.288376,0.00065048);(87.044544,0.00028866);(88.022021,0.0011561);(89.060115,0.00195561);(89.433262,0.00012633);(89.624097,0.00010144);(91.054643,0.02135335);(91.057645,0.00119854);(91.523198,0.00014732);(92.058143,0.00104532);(93.070197,0.02051316);(94.445189,0.00035459);(95.0495,0.03096208);(95.085863,0.0140718);(97.028711,0.01250672);(97.039805,0.00014484);(97.101785,0.00016702);(98.060187,0.00015069);(98.09634,0.00043816);(98.984481,0.00043446);(99.044591,0.00064952);(99.520643,0.00011178);(101.237715,0.00015451);(102.291082,0.00037581);(103.039322,0.0001518);(103.054484,0.00267152);(105.045019,0.00483909);(105.070155,0.01020838);(106.725852,0.00012905);(107.049351,1.0);(107.085754,0.00651036);(107.352303,0.0001057);(108.052688,0.07001744);(109.028605,0.009872);(109.064932,0.00073311);(109.101269,0.00534149);(109.308038,0.0003269);(109.677346,0.0004187);(110.357092,0.00026702);(111.044403,0.00010792);(111.080203,0.00013899);(112.31287,0.00023795);(113.190361,0.00054864);(115.054413,0.00364461);(115.075204,0.00028084);(115.637233,0.00054377);(115.745419,0.00012856);(116.986142,0.00012);(117.070076,0.00597584);(117.398338,0.00057431);(119.049212,0.00573369);(119.085634,0.00888984);(119.129974,0.00023034);(119.573227,0.00061186);(121.02855,0.00657509);(121.039963,0.00022584);(121.0648,0.02052289);(121.101257,0.00255373);(122.068467,0.00012789);(122.684384,0.00025336);(122.76374,0.00010446);(123.044097,0.02031205);(125.422179,0.00034004);(127.038948,0.01173223);(127.75924,0.0002041);(128.06208,0.0007533);(129.06982,0.00296083);(130.212471,0.00011573);(131.049098,0.01934898);(131.085392,0.00077647);(132.052667,0.00012983);(132.37442,0.00011688);(133.028351,0.00012828);(133.064752,0.00105249);(133.101186,0.0028728);(133.275261,0.00011704);(134.096118,0.00014123);(134.628809,0.00032521);(134.790936,0.00013167);(134.996446,0.00130722);(135.044013,0.00347081);(135.116793,0.00029246);(136.391274,0.00027423);(137.023334,0.00043464);(137.059566,0.00169848);(137.495993,0.0005333);(139.038875,0.01329216);(139.200523,0.00028905);(139.66199,0.00045275);(141.069682,0.00068131);(143.085977,0.00014038);(144.056848,0.00977176);(145.064739,0.01133644);(145.101142,0.00015908);(147.04393,0.01391864);(147.116553,0.00151428);(148.554001,0.00027422);(149.023555,0.00036517);(149.059548,0.02028737);(149.989889,0.00015029);(151.032022,0.00057148);(151.038773,0.02487996);(152.042235,0.00011862);(153.018078,0.10910594);(153.054577,0.00012798);(154.021373,0.01850942);(155.022572,0.00039249);(157.064725,0.00402951);(157.101114,0.00031606);(159.043927,0.00225482);(159.080285,0.00016035);(159.116526,0.00013087);(161.059599,0.00567096);(161.13259,0.00034184);(163.038715,0.02544228);(164.041637,0.0001252);(164.534967,0.00010974);(164.920817,0.00017896);(165.054497,0.00520756);(167.212963,0.00012599);(169.049293,0.01020281);(169.064446,0.00016616);(171.043975,0.00079831);(171.743783,0.0001172);(173.059622,0.01387077);(173.730318,0.00012969);(175.038828,0.00459845);(176.104694,0.00030735);(176.515526,0.000234);(177.01855,0.00031473);(177.053547,0.00013107);(178.41296,0.00010708);(178.76796,0.00026584);(179.033777,0.00011731);(179.6857,0.00012382);(180.887898,0.00063886);(181.049466,0.01214272);(181.064026,0.00046812);(183.028564,0.00050327);(185.05961,0.00210248);(185.165381,0.00056739);(187.03897,0.00588794);(187.075074,0.00073237);(188.042597,0.00056071);(189.054558,0.00722711);(189.164235,0.00026464);(189.256629,0.00045502);(191.650927,0.00064438);(192.095037,0.00048158);(193.049344,0.01575999);(193.602247,0.00012277);(194.05425,0.0001317);(197.177131,0.00055993);(197.221531,0.00010716);(201.054413,0.00208387);(201.353164,0.0007565);(202.767136,0.000133);(202.782545,0.00013995);(203.070159,0.00246488);(203.142715,0.00017947);(205.049547,0.00218305);(205.881557,0.00026202);(207.065108,0.00126345);(208.273894,0.00032332);(213.054598,0.0060274);(213.250019,0.00035765);(214.523483,0.00026588);(217.049647,0.00014335);(219.175196,0.00016837);(220.172272,0.00207663);(220.184984,0.00088864);(220.196104,0.00063647);(220.220523,0.00013965);(222.899053,0.00108924);(225.224076,0.00037735);(229.049414,0.00680501);(229.67124,0.0001229);(234.89846,0.00027389);(240.909072,0.0049368);(241.049528,0.00467013);(245.044825,0.00013631);(259.062299,0.00024023);(264.27388,0.000384);(267.803755,0.00065239);(268.09523,0.00029913);(268.909139,0.0001361);(270.48261,0.000116);(282.985935,0.00044859);(284.307284,0.00055512);(287.829621,0.00033864);(291.385628,0.00010836);(294.486742,0.00034844);(296.936109,0.00028679);(300.147925,0.00030505);(302.442376,0.00015482);(302.818027,0.00077306);(303.890435,0.00011265);(310.046123,0.00078941);(311.05335,0.00132624);(311.831324,0.00058785);(312.838461,0.00401027);(319.764231,0.00058253);(320.070369,0.00012244);(326.81773,0.00036098);(327.825789,0.00196518);(328.132815,0.00023715);(328.833496,0.0003268);(344.828147,0.00491514);(347.092143,0.001107);(353.545172,0.00011826);(353.842211,0.00035723);(354.468704,0.00023211);(367.365814,0.00034221);(369.836012,0.00057302);(408.111258,0.00040645);(413.584121,0.00010385);(417.582457,0.00013319);(419.723281,0.0005333);(431.040433,0.00014315)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(127.24,0.021);(133.288,0.021);(137.889,0.025);(145.764,0.022);(146.655,0.022);(149.7,0.024);(173.059,0.026);(193.248,0.022);(193.383,0.023);(222.891,0.021);(275.091,0.208);(291.999,0.022);(299.092,0.205);(317.102,0.633);(341.102,0.526);(345.424,0.02);(353.102,0.051);(365.104,0.048);(371.114,0.086);(383.113,0.332);(393.133,0.266);(401.123,0.178);(419.133,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(140.226,0.031);(148.94,0.031);(150.948,0.033);(165.778,0.031);(177.001,0.041);(210.422,0.035);(220.591,0.035);(229.521,0.034);(275.091,0.216);(299.092,0.269);(317.102,0.735);(330.377,0.035);(341.102,0.673);(353.104,0.074);(365.102,0.077);(371.111,0.098);(383.112,0.416);(393.133,0.415);(401.122,0.207);(419.133,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(127.876,0.036);(135.6,0.036);(152.041,0.043);(155.173,0.039);(155.63,0.033);(212.799,0.033);(214.185,0.033);(256.216,0.038);(266.13,0.034);(275.091,0.204);(299.091,0.233);(317.102,0.613);(341.102,0.71);(353.104,0.111);(365.098,0.082);(371.111,0.114);(383.112,0.443);(393.133,0.389);(401.122,0.245);(419.133,1.0)

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Phloridzin PhloridzinhumanNot AvailableunchangedNot AvailableNot AvailableNot AvailableC21H24O10436.136946973 Detailed Intervention Studies
Phloridzin Phloretinratplasma, urinehost metabolism8h-12h5-20µmol/L10-30%C15H14O5274.084123551 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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