PhytoHub: Showing entry for Quercetin 3-O-arabinoside

Quercetin 3-O-arabinoside

Identification

PhytoHub ID

PHUB000654

Name

Quercetin 3-O-arabinoside

Systematic Name

Not Available

Synonyms

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl α-L-arabinofuranoside
Avicularin
Avicularoside
Fenicularin
Quercetin 3-O-arabinoside
Quercetin 3-α-L-arabinofuranoside

CAS Number

572-30-5

Average Mass

434.353

Monoisotopic Mass

434.0849114

Chemical Formula

C₂₀H₁₈O₁₁

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one

InChI Key

PZZRDJXEMZMZFD-IEGSVRCHSA-N

InChI Identifier

InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1

SMILES

O[C@H]1CO[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.38e+00 g/l
LogS (ALOGPS): -2.50
LogP (ALOGPS): 0.70
Hydrogen Acceptors: 11
Hydrogen Donors: 7
Rotatable Bond Count: 3
Polar Surface Area: 186.37
Refractivity: 103.31299999999997
Polarizability: 40.56235987088022
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.526598553289411
pKa (strongest acidic): 6.372406805937166
Number of Rings: 4
Rule of Five: No
Bioavailability: No
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 5481224
Chemistry Dashboard: DTXSID60176795
Phenol-Explorer: 298

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavonols

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(73.0298,0.1041041);(137.0232,0.03803804);(153.0179,0.05305305);(165.0177,0.03103103);(201.0543,0.02102102);(229.0495,0.05205205);(257.0445,0.03103103);(303.0483,1.0);(304.0539,0.03403403);(435.0927,0.02002002)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(151.0037,0.07207207);(227.0362,0.06706707);(243.031,0.19419419);(255.0312,0.32332332);(271.026,0.67367367);(272.0317,0.06506507);(300.0282,1.0);(301.0369,0.30730731);(433.0771,0.72172172);(434.0872,0.06606607)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.003865,0.00003298);(50.253667,0.00002651);(50.630652,0.00003637);(51.150516,0.00004198);(51.196039,0.00004057);(51.58947,0.00005404);(51.734909,0.00003741);(51.789449,0.00003713);(52.038403,0.00003149);(52.093699,0.0000279);(52.169226,0.00004374);(52.181803,0.00003291);(52.31632,0.00002981);(52.711382,0.00002119);(52.795267,0.00003174);(53.115442,0.00005663);(53.132622,0.0000323);(53.331541,0.00004279);(54.036723,0.00003562);(54.655039,0.00005821);(54.691936,0.00003787);(54.925313,0.00003761);(55.320342,0.0000644);(56.255514,0.00004847);(56.465504,0.00006373);(56.844278,0.00003448);(57.048664,0.00004118);(57.229305,0.0000496);(57.347741,0.00004245);(57.435321,0.00004315);(57.519205,0.00004853);(58.222278,0.00002191);(58.362952,0.00003454);(58.450042,0.00003895);(58.500278,0.0000432);(58.722921,0.000038);(58.743287,0.00003127);(59.012535,0.0003253);(59.197875,0.00004157);(59.388096,0.0000345);(59.835745,0.00003029);(59.864997,0.00003746);(59.882127,0.00003299);(60.314975,0.00003485);(60.535972,0.00005313);(60.572226,0.0000358);(60.594366,0.00003547);(60.823366,0.00003638);(60.84555,0.00006814);(61.066771,0.00002977);(61.882489,0.00004281);(62.204807,0.00004928);(62.253614,0.000055);(62.307362,0.00004121);(62.473657,0.00004825);(62.59498,0.0000428);(62.656666,0.00003477);(62.868666,0.00003693);(62.88496,0.00002577);(63.55776,0.00005991);(63.756478,0.00004667);(63.992536,0.0000381);(64.56106,0.00005048);(64.583921,0.00003394);(64.607192,0.00005143);(65.192349,0.00002814);(66.651794,0.00003334);(66.829501,0.00003534);(67.357304,0.00004201);(67.457655,0.00002822);(67.594596,0.0000429);(67.796621,0.00004899);(67.949086,0.0000609);(68.33022,0.00004039);(68.499116,0.00003509);(68.765016,0.000031);(68.968434,0.00005044);(68.970885,0.00005049);(69.005665,0.00002695);(69.609766,0.00004417);(69.776818,0.00004445);(69.905377,0.00004162);(69.940751,0.00003607);(70.354882,0.00004393);(70.508534,0.0000476);(70.605504,0.00003671);(70.6186,0.00003538);(71.43918,0.00005377);(71.838265,0.00004885);(71.997381,0.00003694);(72.979159,0.00002795);(73.025726,0.00004034);(73.152811,0.00005372);(73.552836,0.00003797);(73.670156,0.00004313);(74.641939,0.00004135);(74.701763,0.00003895);(74.812813,0.00003806);(74.882461,0.00002278);(75.132109,0.00073829);(75.13451,0.00002004);(75.184124,0.0000273);(76.086426,0.00004989);(76.947436,0.00005515);(77.35345,0.00005301);(77.391843,0.00005329);(78.774934,0.00003031);(78.854528,0.00003748);(78.984578,0.00004384);(79.440582,0.00005064);(79.665809,0.00005204);(79.956009,0.00006526);(80.033886,0.00004968);(80.63811,0.00003949);(80.930088,0.00005363);(81.80447,0.00005357);(82.454676,0.00004892);(82.500806,0.00005287);(83.092439,0.00004863);(83.242062,0.00003959);(83.673762,0.0000488);(83.767021,0.00004341);(84.41358,0.00004333);(84.581686,0.00002912);(85.20307,0.00003643);(85.215364,0.00004454);(85.30831,0.00003988);(85.704846,0.0000297);(86.064582,0.00002019);(86.87066,0.00003259);(87.431482,0.0000354);(87.752547,0.00003697);(89.199577,0.00004501);(89.361215,0.00078527);(89.364008,0.00005414);(90.549711,0.00004409);(91.195813,0.00003477);(91.946617,0.0000221);(93.421128,0.00003252);(93.555157,0.00005917);(93.5807,0.00004001);(94.904667,0.00005187);(94.979537,0.00677828);(95.341373,0.00004874);(95.861799,0.00002709);(95.940568,0.00003958);(96.140187,0.00007135);(96.958788,0.004234);(97.670932,0.00003561);(98.304704,0.00004245);(98.536908,0.00003139);(99.812099,0.00003822);(101.205094,0.0000352);(101.220459,0.00003815);(101.510853,0.0000431);(102.126885,0.00003213);(103.0274,0.00005872);(103.420041,0.00003984);(104.935977,0.00003934);(105.241317,0.00003943);(105.564963,0.00004057);(106.382966,0.00003765);(106.417878,0.00005014);(106.48922,0.00004271);(107.232265,0.00003392);(107.400557,0.00002073);(107.429804,0.0000232);(109.274279,0.00003908);(110.366861,0.00005328);(110.956785,0.00296212);(110.974533,0.00168115);(111.741507,0.0000407);(112.411239,0.00006548);(114.172575,0.00003554);(114.31611,0.0000221);(115.333576,0.00004756);(115.491111,0.00003943);(116.258562,0.00004595);(116.40277,0.00004093);(117.210665,0.00002873);(119.289255,0.00004148);(121.244946,0.00002143);(121.98736,0.00004672);(124.73625,0.00002704);(124.894953,0.00004293);(125.023263,0.00063712);(125.067381,0.00002867);(125.581059,0.00004144);(127.461363,0.00005107);(129.335998,0.00002973);(129.988393,0.00004449);(130.098319,0.00007858);(130.268195,0.00006557);(131.379148,0.00004254);(132.214173,0.00004726);(132.673398,0.00004491);(133.643612,0.00005301);(134.226905,0.00004263);(135.074987,0.00007842);(135.080002,0.00004088);(135.856192,0.00003683);(136.019812,0.00004809);(138.31277,0.00002808);(139.151542,0.00003743);(140.596974,0.00004428);(140.842244,0.00004011);(141.153033,0.00004139);(141.401122,0.00007233);(144.066215,0.00004124);(146.634419,0.00005103);(148.016659,0.00012233);(148.124709,0.00005122);(148.2838,0.0000489);(151.002618,0.00920523);(151.798124,0.00003481);(152.006293,0.00013401);(152.055838,0.00002251);(152.956751,0.00002645);(153.017858,0.00013621);(155.806292,0.00003932);(157.724156,0.00004334);(158.76688,0.00003148);(158.90145,0.00005361);(160.159608,0.00006979);(162.425174,0.00003524);(162.441774,0.00003765);(165.852171,0.0000481);(167.613119,0.00004231);(169.013391,0.00016215);(170.395217,0.00004842);(173.10279,0.00005294);(175.030567,0.00003755);(178.472232,0.0000575);(178.747607,0.00003414);(178.884724,0.00004493);(178.997603,0.01291911);(180.00129,0.00002974);(180.671977,0.00005049);(181.689263,0.00004615);(182.377445,0.0000446);(183.229813,0.00004284);(183.305516,0.0000471);(183.422876,0.00005682);(184.039292,0.00005766);(194.829752,0.00004596);(201.630444,0.00005199);(202.130063,0.00007321);(202.847161,0.00004904);(203.446367,0.00003563);(203.496117,0.0000506);(205.277745,0.00007618);(205.320467,0.00005247);(205.968798,0.00004349);(209.411474,0.00004311);(214.116836,0.00003756);(214.174249,0.00335301);(214.193129,0.00220903);(215.101128,0.00003871);(220.049715,0.00008699);(223.986601,0.00003992);(226.695444,0.00005089);(227.597152,0.00004246);(228.135962,0.00003951);(230.259279,0.00003965);(230.778756,0.00004177);(233.166375,0.00006658);(233.867734,0.00004244);(240.840999,0.0000453);(241.00355,0.00005355);(242.784895,0.00006055);(242.991709,0.0000523);(243.926039,0.00004559);(243.996428,0.0000491);(247.865271,0.00003646);(249.570926,0.00003209);(249.784864,0.00002956);(251.0527,0.00003689);(253.0746,0.00004522);(255.030044,0.00014954);(255.066601,0.00008409);(259.486708,0.00004572);(262.654072,0.0000384);(265.0663,0.00006374);(267.748272,0.00003208);(271.02524,0.00103436);(272.033539,0.00016118);(273.040811,0.00031945);(274.307444,0.00004018);(275.125933,0.00004519);(282.694892,0.00002201);(283.024236,0.000044);(283.421479,0.00004434);(283.78499,0.000055);(284.900187,0.00002512);(286.55462,0.00004565);(286.853506,0.00002987);(287.939265,0.00004064);(288.704262,0.00004769);(291.111128,0.00005229);(298.010986,0.00003971);(298.610242,0.00003847);(299.00101,0.00008039);(299.019765,0.02882308);(299.523153,0.00006844);(300.027366,1.0);(301.000536,0.00013653);(301.034147,0.40203649);(301.074144,0.00006339);(302.038357,0.04924507);(302.305097,0.0000478);(303.040825,0.00385851);(306.131852,0.00006156);(307.045892,0.0001256);(311.026656,0.00003291);(313.035536,0.00063238);(313.128379,0.00004621);(320.567177,0.00004007);(323.077692,0.00006275);(325.035022,0.00010304);(328.558425,0.00004331);(334.68968,0.00002236);(342.345491,0.00005366);(342.639214,0.00004199);(343.046016,0.0064788);(344.0487,0.00015151);(347.542862,0.00003337);(351.216875,0.00003528);(356.367241,0.00005753);(357.78029,0.00004892);(362.657286,0.00004118);(362.823673,0.00004353);(366.048639,0.0001393);(367.121507,0.00006111);(373.054723,0.00013314);(378.702562,0.00004576);(380.035936,0.00004189);(386.055234,0.00007967);(394.865758,0.00004272);(396.621909,0.00004047);(409.002846,0.00003022);(411.971058,0.00002337);(412.835152,0.00003276);(412.91156,0.0000308);(415.066483,0.00024204);(421.238589,0.00004784);(421.842286,0.00003566);(429.003468,0.00003404);(431.060837,0.00006966);(432.065405,0.0000329);(433.077238,0.41777847);(434.080633,0.08655786);(434.129218,0.00006241);(435.082962,0.01043305);(436.950527,0.00002472)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.208005,0.00003037);(50.285821,0.00004045);(50.513863,0.00003599);(50.880924,0.00004022);(51.049727,0.00002111);(51.075295,0.00003325);(51.220473,0.00002349);(51.395918,0.00001867);(51.910366,0.00003509);(51.939306,0.0000357);(52.02925,0.00003558);(52.247811,0.00002047);(52.444867,0.00003004);(52.492138,0.00003893);(53.065125,0.00001997);(53.071913,0.00003713);(53.487714,0.00001902);(53.837193,0.00003699);(53.867744,0.00003421);(54.033926,0.00001768);(54.112277,0.00003836);(54.257479,0.00003594);(54.564119,0.00005127);(54.573034,0.00002086);(54.581083,0.00001916);(55.143001,0.0000481);(56.261447,0.00002371);(56.369947,0.00001945);(56.4263,0.00002229);(56.537909,0.00004374);(56.782963,0.00002514);(57.034208,0.0027109);(57.055039,0.00004529);(57.215996,0.00004132);(57.265356,0.00003965);(57.268354,0.00003244);(57.270749,0.00002058);(57.316872,0.00004291);(57.672129,0.00004133);(57.949153,0.0000391);(57.991105,0.00003673);(58.958866,0.00003586);(59.061084,0.00056949);(59.531616,0.00002348);(59.667508,0.00002131);(59.692946,0.00002248);(59.810677,0.00003974);(60.287944,0.0000406);(60.468063,0.00003485);(61.011361,0.00409772);(61.027325,0.00004539);(61.029124,0.01521197);(61.495919,0.0000408);(62.01916,0.0000795);(62.263878,0.00003612);(62.603582,0.00004522);(63.073747,0.00003529);(65.062425,0.00004177);(65.18859,0.00004415);(65.365253,0.00003742);(65.425786,0.00003644);(65.80683,0.00002049);(65.966681,0.00003269);(66.000935,0.00004782);(66.421832,0.00004943);(66.486353,0.00004599);(66.527256,0.00004374);(66.549874,0.00005541);(66.771687,0.00003713);(67.235508,0.00003196);(67.408726,0.00004078);(67.852179,0.00003717);(68.142472,0.00005409);(68.460401,0.00002788);(68.494258,0.00004796);(68.916767,0.00003641);(69.034135,0.00186574);(69.060727,0.00003972);(69.118597,0.00002115);(69.73803,0.00003626);(69.744832,0.00001735);(69.763919,0.00003934);(70.338065,0.00001828);(70.934542,0.00004108);(71.013387,0.00117532);(71.11414,0.00003082);(71.502498,0.00004491);(72.355727,0.00002013);(72.769145,0.00002142);(72.837213,0.00004456);(73.029061,0.13425856);(73.061073,0.00002154);(73.163558,0.00004135);(73.459724,0.00004381);(73.547506,0.00003937);(73.681696,0.00004488);(73.805973,0.00003239);(74.032353,0.00353957);(74.065789,0.00003423);(74.535447,0.00003666);(74.754488,0.00004373);(75.088892,0.00001624);(75.382493,0.00003429);(75.781445,0.00003019);(75.88755,0.00010621);(76.209756,0.0000406);(76.839201,0.00004136);(78.600901,0.00003389);(78.715832,0.00002691);(79.021788,0.00545292);(80.223546,0.00002644);(80.341316,0.00003762);(80.80232,0.00003215);(81.851784,0.00003651);(81.973033,0.00003506);(82.152314,0.00003626);(84.275955,0.00003812);(84.49646,0.00005626);(84.515696,0.00003917);(84.776543,0.00003582);(84.925805,0.00004217);(85.028913,0.00064563);(85.085061,0.00003397);(85.101077,0.00003946);(86.07625,0.00001978);(86.59273,0.00001626);(86.740146,0.00004328);(87.044521,0.00187124);(88.26647,0.00002076);(89.060235,0.01225635);(89.155908,0.0000384);(89.787777,0.00002641);(90.03071,0.00023825);(90.063518,0.00239108);(90.218507,0.00002503);(90.272292,0.00001793);(90.363251,0.0000534);(91.383125,0.0000403);(91.458564,0.00003862);(92.766665,0.00003794);(92.941325,0.00003518);(92.991965,0.00004611);(93.548302,0.00001977);(94.590652,0.00001613);(95.240173,0.00003182);(95.591931,0.00002478);(96.111946,0.00001627);(97.028792,0.00109972);(97.46084,0.00001797);(97.834775,0.00003194);(98.744913,0.00002301);(99.052386,0.00002121);(99.331801,0.00003697);(100.12011,0.0000189);(100.152498,0.00004452);(100.427968,0.00003778);(100.719871,0.00002691);(101.317806,0.00001924);(101.877458,0.00003467);(102.198583,0.00003481);(102.486559,0.00005245);(103.032964,0.00003333);(103.339734,0.00003918);(103.423671,0.00004327);(105.297691,0.00004195);(105.530819,0.00003167);(105.816472,0.00004321);(106.061358,0.00002334);(106.09343,0.00003599);(107.126683,0.00004024);(107.203555,0.00003893);(110.161607,0.0000389);(110.634183,0.000042);(111.094285,0.0000562);(111.545338,0.0000411);(112.990624,0.00004012);(115.039227,0.01685373);(115.685446,0.00001873);(115.97684,0.00003553);(116.043024,0.00003238);(117.063546,0.00002037);(117.117202,0.00003991);(118.28481,0.00003661);(118.331586,0.00003871);(118.430148,0.00004205);(120.107432,0.0000381);(121.954868,0.0000199);(122.405856,0.00001673);(122.845869,0.0000423);(123.23329,0.00001938);(123.693313,0.00003889);(123.704653,0.00002076);(123.801342,0.00002357);(124.044501,0.00001625);(125.684204,0.00004166);(125.713803,0.00002077);(125.753873,0.00002671);(125.953242,0.00001895);(126.154566,0.00004432);(126.263619,0.00003752);(126.557125,0.0000167);(127.161609,0.00003019);(127.473646,0.00004509);(127.7963,0.00002243);(128.033878,0.00003777);(129.47712,0.00001751);(129.594471,0.00003745);(130.179435,0.00004088);(130.843824,0.00001946);(131.046549,0.00003732);(132.166997,0.0000416);(133.049602,0.00057004);(133.08596,0.01084565);(134.08931,0.00364568);(134.268643,0.0000419);(134.506038,0.00003665);(135.327695,0.00003871);(135.873112,0.00002073);(136.277377,0.00003896);(136.385234,0.00003822);(137.696164,0.00004058);(138.564435,0.00004124);(139.15659,0.00005338);(139.889008,0.0000418);(140.645256,0.00004234);(141.433886,0.0000212);(141.544331,0.0000374);(141.938638,0.00002136);(145.130563,0.00002704);(146.219539,0.00004445);(147.015429,0.00003812);(147.707677,0.00003639);(148.557079,0.00002059);(150.772567,0.00002006);(152.19031,0.00004453);(152.675458,0.000037);(153.267832,0.00002834);(153.369036,0.00004989);(154.174137,0.00003999);(155.195921,0.00003339);(155.378758,0.0000352);(157.827249,0.00002454);(158.131073,0.00004442);(159.082417,0.00004156);(159.992145,0.00003907);(160.553662,0.00003245);(161.83575,0.00004014);(163.671518,0.00001634);(164.298733,0.00004144);(165.152411,0.00003975);(168.447645,0.00001936);(172.521609,0.00002956);(174.676617,0.00004662);(176.989305,0.00071358);(177.111935,0.00268792);(177.376154,0.00003881);(177.613017,0.00003727);(178.115568,0.00135827);(179.237454,0.00002212);(181.084847,0.00004316);(181.463853,0.00003098);(182.545185,0.0000472);(183.081018,0.00003174);(183.303724,0.00004425);(185.492052,0.00005117);(187.614418,0.00004591);(189.703228,0.00004571);(192.660171,0.00003458);(192.961724,0.00061428);(193.406185,0.00003652);(194.999873,0.00102794);(195.122944,0.00004073);(195.960541,0.00005085);(196.442451,0.00004951);(196.484087,0.0000422);(196.889736,0.00001649);(196.960853,0.0000168);(196.990097,0.00004561);(197.685528,0.00003893);(199.516949,0.00004361);(200.315393,0.00007445);(201.766757,0.00004128);(201.9162,0.00002249);(206.25384,0.00004166);(207.134052,0.00002804);(208.741007,0.0000364);(210.972267,0.00014505);(212.420958,0.00004463);(212.972498,0.00001625);(213.363503,0.00002335);(213.754524,0.00002273);(213.89107,0.00003862);(213.970616,0.0000738);(214.062518,0.00004388);(214.172403,0.00271105);(214.185497,0.00251607);(214.971389,0.00005801);(215.119571,0.00003919);(215.677554,0.00002631);(222.140955,0.00003345);(222.268443,0.00004286);(223.980219,0.00006412);(225.123096,0.00004076);(225.437489,0.0000477);(227.151598,0.00005482);(228.391806,0.00004312);(230.856998,0.00002277);(231.258486,0.00002003);(232.286434,0.00004719);(234.836904,0.00005453);(238.801756,0.00001794);(240.24855,0.00004107);(242.319247,0.00004395);(244.086993,0.0000229);(245.256249,0.00003776);(253.074441,0.00002202);(253.128892,0.00003409);(257.909431,0.00004037);(265.990707,0.00006006);(266.450943,0.00004461);(267.298429,0.00005189);(269.076407,0.00003665);(273.172381,0.00003699);(273.378851,0.00004369);(275.935151,0.00007828);(276.932227,0.00001774);(278.930473,0.00003773);(280.212399,0.00001676);(280.931168,0.00003792);(281.765321,0.0001546);(286.013036,0.00002196);(286.046234,0.00006394);(286.893944,0.00003946);(287.05475,0.00221839);(288.058792,0.0001265);(290.946945,0.00001703);(292.944476,0.00003978);(293.945529,0.00127204);(293.968447,0.00003345);(294.121059,0.00004497);(294.844998,0.00003311);(294.904462,0.00004445);(294.942269,0.00142362);(295.221202,0.00003972);(295.902591,0.00052745);(295.94636,0.00044757);(296.903556,0.0004676);(296.941238,0.0009898);(297.903056,0.00011802);(297.922089,0.00021295);(297.940172,0.00082568);(298.123946,0.0000186);(298.901247,0.00003294);(298.941174,0.00133282);(301.070421,0.00403263);(301.895231,0.00003357);(302.043242,0.00010888);(302.073759,0.00123203);(303.049745,1.0);(303.32823,0.00003908);(304.070892,0.00007061);(304.075301,0.00005053);(304.095063,0.00046102);(304.418184,0.00004057);(305.055072,0.01637295);(306.918926,0.00018041);(310.919407,0.00001915);(311.956091,0.00058096);(312.916262,0.00003255);(312.954507,0.00028036);(313.445254,0.00001944);(313.913387,0.00019358);(313.956307,0.00009257);(314.875484,0.00002842);(314.913659,0.00042788);(314.951445,0.0004191);(315.049384,0.00128233);(315.913044,0.00011076);(315.931571,0.00022564);(315.950288,0.00048104);(315.966783,0.0002034);(316.051415,0.00003073);(316.911023,0.00006912);(316.951349,0.00046817);(326.064526,0.00077258);(326.623414,0.00001656);(327.228987,0.00001995);(329.11914,0.00003564);(330.920971,0.00008591);(333.549185,0.00003706);(333.976847,0.00026268);(338.516155,0.00004273);(341.919404,0.0000348);(342.248153,0.00003886);(344.968982,0.00071009);(345.06025,0.00134486);(345.975747,0.00004892);(350.94746,0.0001784);(351.039444,0.00004326);(351.726081,0.00004334);(352.288357,0.00001626);(354.945488,0.00031923);(355.068995,0.00014513);(355.945696,0.00002009);(356.06938,0.00030374);(356.946023,0.00021422);(356.969731,0.00317313);(357.065462,0.00003164);(357.121103,0.00002637);(357.875002,0.00002717);(357.94396,0.00035368);(357.973665,0.00004785);(358.869582,0.0000228);(358.947178,0.00003702);(358.970294,0.00022469);(359.00731,0.00009062);(359.651933,0.00005767);(359.928832,0.00027516);(361.040484,0.00048898);(361.971548,0.00109175);(362.978259,0.00029136);(365.582594,0.00005296);(369.060114,0.00237549);(369.875101,0.00001996);(372.232047,0.00004708);(372.96343,0.0023039);(373.83087,0.00006358);(373.969286,0.00041093);(374.979617,0.03595094);(375.842118,0.00003816);(375.956045,0.0001936);(375.982682,0.00589047);(376.875615,0.00003599);(376.958847,0.00004049);(376.980516,0.0034582);(377.017327,0.00274809);(377.705555,0.00004901);(378.141507,0.00001941);(379.051408,0.00002256);(381.061789,0.0012573);(382.063921,0.00005318);(383.818236,0.00004378);(387.950863,0.00090555);(388.470413,0.00004045);(388.95847,0.00431801);(388.994625,0.00010758);(389.965509,0.00168937);(390.00154,0.00008375);(390.956825,0.00578232);(391.83983,0.00003895);(391.981947,0.00321567);(392.960114,0.0006232);(392.989646,0.0210563);(393.251679,0.00001941);(393.770502,0.00006204);(393.993104,0.00299586);(394.844223,0.00070747);(394.990886,0.00698451);(395.02686,0.00089664);(395.133915,0.00004349);(395.430861,0.00004106);(396.097457,0.00004999);(399.071053,0.00537627);(400.073455,0.00029372);(401.945999,0.00003559);(403.033175,0.00203811);(404.034727,0.00011972);(404.97256,0.00044256);(405.233398,0.0000499);(405.979527,0.00146309);(410.951534,0.00002143);(412.85635,0.00006589);(416.256492,0.00073482);(417.080911,0.00122861);(418.951585,0.0002124);(419.009264,0.00003084);(419.574524,0.00004725);(419.959426,0.00283331);(420.832697,0.00006498);(420.961798,0.00005072);(421.043525,0.02471574);(421.599043,0.00004324);(421.960683,0.00006954);(422.045799,0.00734594);(423.041539,0.00302665);(423.229841,0.00001599);(426.006959,0.00004159);(433.97428,0.02679347);(434.982422,0.12879408);(435.092041,0.00201489);(435.268062,0.0000913);(435.986224,0.02590897);(436.093382,0.00006502);(436.150891,0.00004082);(436.983861,0.01895703);(437.019435,0.00052214);(437.202644,0.00058104);(437.235092,0.01157431);(437.970409,0.00024908);(439.054017,0.00008204)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.228661,0.00006616);(50.487631,0.00004614);(50.547651,0.00007111);(50.597008,0.00004741);(50.826756,0.00004881);(51.030172,0.00013888);(51.061046,0.00006662);(51.245832,0.00006189);(51.258878,0.00006014);(51.35257,0.00005415);(51.442572,0.00005894);(51.704461,0.00004098);(51.984026,0.0000506);(51.990016,0.00008041);(52.304087,0.00004195);(52.364454,0.00005649);(52.385392,0.00004979);(53.193875,0.0000642);(53.544924,0.00007709);(53.662848,0.00007255);(54.333881,0.00006144);(54.358259,0.0000488);(54.513754,0.00006398);(55.038473,0.00006455);(55.09487,0.00004941);(55.573499,0.00006896);(55.614005,0.00006007);(56.247768,0.00004188);(56.325515,0.0000608);(56.799203,0.00005159);(57.929363,0.00006931);(58.956572,0.00004035);(59.073452,0.00003538);(59.633102,0.00006411);(59.65316,0.00006223);(59.791694,0.00005459);(59.963136,0.00011429);(60.702601,0.00004952);(61.087296,0.00004247);(61.156573,0.00004071);(61.843503,0.00004353);(61.881624,0.00003522);(61.99808,0.00004374);(62.064406,0.00010316);(62.198808,0.00005397);(62.309566,0.00005858);(63.373498,0.00008218);(63.619014,0.00004862);(63.819542,0.00004064);(63.875364,0.00004385);(64.084404,0.00006577);(64.461277,0.00005479);(64.526316,0.00006501);(64.798221,0.00007828);(64.808689,0.00007026);(65.074672,0.00008074);(65.658575,0.00005461);(65.684351,0.00004554);(65.772812,0.00007801);(65.785027,0.0000616);(65.833465,0.00010659);(66.09108,0.00007561);(66.120036,0.00007117);(66.284332,0.0000681);(66.476556,0.00004825);(66.565862,0.00006532);(66.610291,0.00004662);(66.934294,0.00005601);(67.122197,0.00007535);(67.133953,0.00006352);(67.36683,0.00007721);(67.377189,0.00004109);(68.08374,0.00005732);(69.190037,0.00006196);(69.227832,0.00006464);(69.404428,0.00003817);(69.58041,0.00007891);(69.870779,0.00005639);(70.221377,0.00007976);(70.283646,0.00007297);(70.364482,0.00005756);(70.979166,0.00006425);(71.026672,0.00006728);(71.062671,0.00006991);(71.243058,0.00011834);(72.121988,0.00007016);(72.179699,0.00007214);(72.362524,0.00004268);(72.500841,0.00004061);(72.562546,0.00006382);(72.943723,0.00006949);(72.951435,0.00004554);(73.659709,0.00004244);(73.689286,0.00004872);(74.790246,0.00006192);(74.882333,0.00009438);(75.131958,0.0002051);(75.483327,0.00006037);(75.900781,0.00007228);(75.911427,0.00007168);(77.73586,0.00010768);(78.309755,0.00006594);(78.50923,0.00007145);(78.557977,0.0000692);(78.562531,0.00007102);(78.695658,0.0000556);(78.933327,0.00007061);(78.984544,0.0000671);(79.688731,0.00005057);(80.016235,0.0000509);(82.171457,0.00007539);(82.436987,0.00005456);(82.45258,0.00005666);(82.641136,0.00006416);(82.919377,0.00004944);(82.936604,0.00007289);(83.932581,0.00005381);(84.25557,0.00006653);(84.288459,0.00004305);(84.54534,0.00004555);(84.705292,0.000126);(85.744512,0.00010378);(86.301552,0.00014166);(87.014232,0.00006282);(87.088005,0.00007107);(87.111913,0.00003751);(87.508382,0.0000499);(87.836221,0.00007249);(89.915258,0.00007844);(92.207498,0.0000706);(92.987308,0.00006882);(93.523571,0.00007527);(94.00798,0.00004768);(94.979545,0.00405113);(95.069972,0.00004782);(95.792482,0.00006178);(96.455679,0.00004524);(96.919577,0.0000456);(96.958753,0.00249713);(99.738013,0.00007712);(99.990006,0.0001192);(100.096759,0.00007772);(100.805164,0.00005275);(101.859303,0.00005439);(101.923903,0.00007222);(102.049512,0.0001198);(103.000219,0.00010993);(103.231206,0.00003688);(103.744914,0.00007022);(104.254714,0.00006816);(104.689808,0.00004869);(106.852921,0.00004498);(107.012599,0.00007282);(107.244661,0.00005585);(107.519765,0.0000567);(108.631438,0.00005069);(108.736028,0.00006976);(108.837179,0.0000472);(110.956682,0.00124081);(110.974436,0.00055072);(111.134222,0.00005032);(111.239962,0.00007362);(111.552077,0.00005833);(112.541461,0.00004203);(113.21563,0.00007644);(114.082009,0.0000518);(114.560188,0.00004818);(115.696568,0.00006646);(117.895448,0.00005945);(119.582834,0.00008463);(119.785992,0.00006189);(120.167114,0.00003717);(121.02831,0.0004861);(121.415666,0.00006548);(124.280381,0.00002965);(125.02314,0.00005362);(126.338565,0.00006017);(128.268163,0.0000562);(129.079742,0.00005022);(129.899964,0.00004075);(135.40841,0.00004426);(135.648499,0.0000337);(135.762783,0.00007366);(136.233077,0.00007604);(136.980272,0.00006418);(137.13285,0.00008119);(137.431545,0.00004951);(138.064491,0.00004799);(141.091148,0.00004757);(141.579977,0.00004205);(142.061474,0.00004004);(142.199788,0.00012418);(142.835625,0.0000371);(143.590007,0.00006943);(145.244563,0.0000774);(145.784878,0.00004056);(146.616103,0.00005786);(147.966185,0.00008435);(147.985091,0.000079);(148.01639,0.0002609);(148.382162,0.00002722);(148.644256,0.00005595);(148.988356,0.00007484);(150.066424,0.00008102);(151.002581,0.021133);(152.005591,0.00030212);(152.722211,0.00012822);(156.85555,0.00007336);(157.133638,0.00013053);(159.325025,0.00007569);(159.997818,0.00008402);(162.155503,0.00006047);(162.868194,0.00007659);(163.002513,0.00127816);(164.665489,0.00007582);(164.740182,0.00006768);(166.577668,0.00007904);(166.662741,0.00006934);(168.074172,0.00006279);(169.013506,0.00014883);(169.046929,0.00005901);(170.475118,0.00004823);(171.827867,0.00007699);(176.122339,0.00004019);(176.972203,0.00007081);(178.99768,0.01837389);(180.001147,0.00050907);(180.141461,0.00006785);(183.537447,0.00004805);(183.896088,0.00011093);(184.397796,0.00006936);(184.560424,0.00007129);(186.733414,0.00004225);(189.161063,0.00013536);(189.463242,0.00007502);(189.523069,0.00002904);(190.041495,0.00006527);(190.998726,0.00004355);(193.013514,0.00003586);(193.863613,0.00006266);(197.7704,0.0000543);(199.411813,0.00005089);(201.614141,0.00005331);(202.672576,0.00008979);(204.772247,0.00004709);(209.065275,0.00008896);(211.520282,0.00002846);(212.959703,0.00007385);(214.181464,0.00541477);(217.97007,0.00006206);(218.441747,0.00005899);(219.986156,0.00005895);(220.777592,0.00009669);(221.694786,0.00007981);(227.034849,0.0001621);(229.049912,0.00006725);(229.657014,0.0000475);(234.691603,0.0000321);(238.108932,0.00007108);(242.075196,0.00005145);(243.029942,0.00163205);(244.035556,0.00010695);(245.427787,0.00006858);(246.71104,0.00007922);(247.67919,0.00005674);(249.675762,0.00008277);(251.343487,0.00004784);(253.11192,0.0000526);(253.868037,0.00012689);(254.021908,0.00271685);(255.029724,0.02178144);(255.298255,0.00007791);(256.032947,0.00140324);(257.045844,0.00011007);(258.337654,0.00007381);(263.052936,0.00005475);(264.996677,0.00006651);(270.016493,0.00009952);(271.024804,0.04540026);(271.060433,0.00006899);(272.030946,0.01059349);(272.628517,0.00005932);(273.040031,0.00215961);(277.213193,0.00007212);(283.024748,0.00226949);(284.031981,0.00007255);(290.037947,0.00008872);(290.574823,0.00006479);(290.777068,0.00014832);(295.085777,0.00005451);(299.019914,0.01679636);(300.027369,1.0);(301.033288,0.26678459);(301.057751,0.00009066);(301.062503,0.00023646);(301.459319,0.00008834);(302.037717,0.02878537);(302.435538,0.00008984);(303.041122,0.00125215);(304.141914,0.00006566);(309.291006,0.0000528);(310.323892,0.0000499);(313.035702,0.00003187);(313.428689,0.00005577);(318.521881,0.00007835);(320.468157,0.00005675);(322.054603,0.00006223);(323.548804,0.00005108);(331.10641,0.00004588);(331.35773,0.00005442);(332.001347,0.0000463);(335.395151,0.0000753);(336.605046,0.00013637);(337.216415,0.00007116);(337.409031,0.00015122);(337.974851,0.00007314);(343.045432,0.00037916);(357.103966,0.0000541);(365.146248,0.00006677);(366.4267,0.00004928);(370.520793,0.00006058);(371.742183,0.00004924);(371.942034,0.00005187);(372.515039,0.00007539);(375.728422,0.00006275);(379.200978,0.00006743);(380.230341,0.00006954);(389.021064,0.00007239);(392.276633,0.00007222);(396.234052,0.00006487);(400.814283,0.0000691);(418.475515,0.00004887);(427.523308,0.00007245);(433.077419,0.01659202);(433.652784,0.0000546);(434.08049,0.00227063);(434.268763,0.0000552)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.039191,0.00006283);(50.254421,0.0000846);(50.849935,0.00007388);(51.175856,0.00009685);(51.595888,0.00007485);(52.228132,0.00007024);(52.242761,0.00010048);(53.424328,0.00012204);(53.509106,0.00007323);(54.273352,0.00008528);(54.321193,0.00010476);(54.975928,0.00010889);(55.027927,0.00008497);(55.376552,0.00009692);(55.441583,0.00012955);(55.752068,0.00010866);(56.119301,0.00007315);(56.708343,0.00006934);(56.848829,0.00005527);(56.85699,0.00006449);(57.016729,0.00010861);(57.275101,0.00010184);(57.67909,0.0000581);(57.958876,0.00007854);(58.211012,0.00003622);(58.764284,0.00006944);(58.791214,0.00006458);(59.012447,0.00016522);(59.285385,0.00007015);(59.714566,0.0001075);(60.121676,0.00006595);(60.306032,0.00007162);(61.542714,0.00009661);(62.774625,0.00012197);(62.830439,0.00007385);(63.336894,0.00010787);(63.690459,0.00010755);(64.256375,0.00015803);(64.467386,0.00006794);(65.00201,0.0007717);(65.337242,0.00010536);(65.539079,0.0000872);(66.522,0.00010727);(66.679493,0.00006601);(66.802069,0.00013622);(67.998222,0.0000935);(68.357786,0.00010019);(68.445882,0.00006928);(68.469903,0.00007137);(68.742273,0.0000591);(68.803619,0.00011136);(68.948147,0.00008264);(69.833398,0.00006272);(70.536218,0.00009148);(70.886056,0.00006707);(71.122483,0.00010999);(71.2002,0.00008388);(71.243035,0.00042961);(71.588487,0.00010268);(71.597099,0.00010993);(71.823552,0.00007347);(72.205867,0.00013495);(72.7787,0.00011359);(73.127344,0.00007459);(73.699408,0.00020017);(74.446896,0.00007887);(75.069894,0.00010316);(75.520926,0.00013477);(76.212454,0.00006768);(76.538876,0.00010391);(76.700904,0.00009482);(77.069371,0.00004158);(77.264638,0.00008815);(77.608714,0.00007517);(77.799897,0.00006883);(78.407292,0.0001025);(78.799075,0.00010203);(78.935941,0.00005668);(78.984581,0.00014915);(79.553187,0.00010449);(79.607742,0.00006558);(79.955812,0.00027365);(80.637374,0.0002356);(80.96396,0.00004863);(81.184416,0.00004369);(82.208796,0.0000622);(83.012638,0.00042164);(83.046466,0.00007481);(83.250372,0.00010174);(85.386848,0.00010703);(85.542191,0.00008777);(86.524401,0.00011215);(86.97672,0.00008125);(87.162616,0.00008441);(87.419113,0.00011649);(87.536036,0.00011208);(87.854174,0.0001011);(88.998048,0.00013938);(89.44102,0.00007523);(89.847372,0.00008297);(89.954827,0.00011349);(91.334329,0.0000716);(91.407999,0.00010357);(91.652496,0.00009324);(92.199386,0.00016815);(92.417035,0.00010274);(92.757558,0.00010531);(92.969145,0.00011039);(92.99743,0.00010216);(94.840498,0.00007285);(94.9796,0.00735361);(96.958843,0.00422882);(97.282342,0.00009849);(97.354429,0.00006359);(97.728918,0.00006305);(99.651125,0.00020926);(100.056741,0.00004264);(100.267643,0.0000395);(100.432297,0.00013397);(100.727254,0.00010213);(100.774567,0.00006587);(101.301461,0.00007416);(101.401992,0.0001103);(102.158869,0.00006469);(102.513981,0.00011605);(102.700243,0.00009309);(103.660043,0.00008375);(105.739109,0.00009338);(106.303494,0.0001736);(106.48142,0.00012185);(107.012695,0.00695743);(108.020545,0.00169692);(108.074989,0.00012977);(108.662455,0.0001047);(109.028337,0.00259778);(110.608063,0.00008239);(110.956876,0.0018184);(110.974626,0.00099434);(112.137565,0.00010535);(112.356531,0.00011419);(112.699164,0.00007636);(113.128334,0.00010655);(113.24282,0.00008675);(113.853564,0.00010483);(117.799208,0.00005775);(118.858776,0.00006692);(118.960514,0.00008646);(119.429259,0.0001012);(120.455346,0.00014049);(121.028352,0.01024931);(122.031937,0.00009665);(122.291208,0.00009338);(124.015456,0.00019787);(124.048461,0.0000452);(124.127174,0.00007177);(124.198308,0.0000913);(124.780303,0.00008516);(125.02331,0.0004656);(126.534668,0.00009986);(129.192277,0.0001136);(129.350959,0.00005848);(130.295235,0.00011095);(130.5204,0.00011875);(130.787411,0.00011106);(131.270887,0.00009704);(131.415379,0.00007998);(132.423936,0.00019486);(133.289947,0.00011383);(135.007703,0.00157491);(135.256525,0.00007998);(136.507214,0.00009642);(136.538894,0.0001074);(138.192525,0.00010948);(140.279278,0.00012513);(140.3712,0.00011104);(140.642373,0.00007146);(141.533576,0.00011437);(142.27357,0.00010328);(142.632203,0.00007964);(143.963689,0.00004868);(144.636786,0.00007568);(146.802033,0.00017103);(147.008064,0.00011641);(147.236089,0.00010172);(148.015807,0.00157559);(149.023611,0.00043187);(149.42766,0.00008753);(149.810153,0.00015911);(149.948005,0.00008084);(149.995053,0.00009726);(150.614776,0.00009054);(150.904704,0.00010767);(151.002649,0.07638336);(151.958129,0.00009132);(152.005994,0.00315874);(152.023409,0.00013155);(153.018368,0.00005813);(153.429793,0.00009342);(153.796759,0.00010078);(155.464713,0.00012554);(155.952429,0.00010617);(156.244589,0.00007758);(157.361407,0.00008392);(159.01353,0.00009334);(163.002746,0.01533123);(163.177905,0.00010619);(164.010709,0.00055928);(164.952534,0.00010769);(165.018774,0.00004562);(166.114087,0.00009023);(166.329924,0.00008543);(166.424215,0.00011116);(166.847799,0.00011885);(169.013455,0.00083326);(178.85426,0.00008484);(178.997748,0.03814211);(180.001322,0.00156985);(180.335236,0.00008604);(181.477198,0.00012514);(182.911893,0.00007357);(184.051764,0.00007598);(187.039595,0.00044441);(190.359888,0.00010934);(190.997897,0.00111333);(192.005569,0.00075304);(193.014039,0.00006899);(193.707199,0.00010718);(195.739469,0.00006872);(199.038957,0.0001434);(199.860265,0.00019753);(201.055666,0.00038761);(202.678848,0.00012432);(203.033806,0.00012176);(204.554002,0.00008594);(205.210325,0.00004309);(206.084186,0.00006956);(208.070132,0.00004273);(208.803588,0.00012299);(209.22845,0.00008754);(211.039449,0.00209054);(213.596169,0.00008903);(214.123673,0.00009745);(215.034842,0.00039971);(215.272189,0.00008684);(216.042238,0.00124324);(217.04709,0.0000681);(218.540934,0.00004283);(219.730711,0.00006969);(220.710454,0.00233726);(221.249576,0.00013051);(221.520243,0.0001255);(222.799839,0.00004321);(225.63715,0.0001309);(226.026847,0.00685224);(227.034319,0.01179988);(228.040571,0.00081825);(229.050323,0.00424194);(233.007539,0.00008401);(235.956834,0.00007921);(239.034649,0.0010245);(243.016611,0.00011174);(243.029657,0.04869207);(244.035073,0.00727215);(245.045287,0.00626932);(248.373093,0.00011557);(250.124793,0.00009209);(250.762816,0.00006528);(254.021876,0.02893227);(254.321166,0.00007846);(255.029701,0.22417887);(256.033151,0.03105244);(257.034688,0.00012318);(257.322657,0.00004503);(261.693131,0.00011449);(265.718523,0.00009919);(266.022751,0.00021048);(266.15838,0.00009043);(270.017124,0.00017428);(271.024863,0.47034309);(271.104685,0.00011906);(272.028931,0.07733913);(273.040425,0.0057328);(274.042434,0.00005289);(276.710943,0.00009911);(277.860918,0.00012313);(282.32218,0.00009023);(282.996019,0.00007123);(283.024708,0.01104844);(289.299973,0.00008046);(290.863166,0.00010527);(292.722832,0.00012492);(299.019533,0.01934391);(300.027261,1.0);(301.008571,0.00010419);(301.032393,0.20877853);(301.340934,0.0000712);(301.376869,0.00009092);(301.466037,0.00008172);(302.036262,0.0198537);(303.039559,0.00012552);(304.950606,0.00010602);(306.40224,0.00011595);(308.659571,0.00008588);(315.897815,0.00010552);(323.830352,0.00010465);(330.443704,0.00010387);(331.806382,0.00009572);(335.697908,0.00004278);(335.780339,0.00011496);(335.955428,0.00011967);(342.621744,0.00011123);(347.989064,0.00011294);(359.583635,0.00011524);(361.472231,0.00013171);(372.995454,0.00012016);(379.030417,0.00008405);(382.273612,0.00010636);(384.359451,0.00012254);(403.987141,0.00008834);(408.961721,0.00011107);(412.182298,0.00008898);(418.044768,0.00011899);(423.288078,0.00011579);(425.027139,0.00011156);(429.561965,0.00009517);(434.638028,0.00010388);(435.569462,0.0001134);(438.073998,0.00011963)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.018432,0.00010187);(50.025239,0.00003179);(50.207422,0.00008163);(50.222096,0.0000351);(50.919689,0.00004297);(51.309432,0.0000742);(51.874241,0.00008352);(51.945196,0.00004648);(53.160672,0.00007348);(53.435829,0.00002988);(53.471896,0.00005296);(53.800425,0.00008182);(53.834688,0.00009424);(53.906212,0.00013014);(54.208573,0.0000782);(54.944353,0.0000403);(55.308103,0.00010192);(55.309376,0.00010666);(55.525124,0.0000292);(55.600927,0.00008677);(55.709734,0.00009969);(55.926081,0.00008088);(56.272364,0.00005521);(56.634072,0.00011446);(56.645013,0.00007479);(56.683485,0.00010497);(56.874282,0.0000387);(56.933582,0.00004072);(57.034215,0.00532174);(57.039135,0.00003944);(57.752135,0.00007906);(58.387418,0.00002978);(58.389052,0.00002516);(58.533355,0.00004151);(58.811793,0.00004493);(58.87321,0.00005764);(59.061062,0.00049795);(59.176342,0.00002414);(59.264703,0.00004853);(59.991856,0.00005276);(60.212607,0.00008303);(60.290906,0.00008704);(60.33096,0.00004546);(60.397871,0.00014832);(60.430153,0.00003346);(60.470253,0.00008648);(60.584987,0.00008875);(60.947832,0.00004721);(60.999359,0.00004131);(61.011364,0.01472601);(61.029126,0.02007033);(61.176265,0.00007631);(61.257555,0.0000953);(61.275052,0.00011582);(61.290465,0.00010591);(61.399938,0.00002505);(61.410251,0.00004933);(61.568658,0.00008439);(61.731782,0.00008534);(62.019122,0.00038437);(62.470814,0.00003251);(62.512912,0.00002373);(62.738324,0.00010403);(63.485618,0.00004132);(63.52093,0.0000904);(63.705074,0.00011057);(64.074957,0.00004689);(64.155536,0.00010217);(65.151588,0.00002992);(65.234586,0.00011169);(65.591982,0.00004282);(65.741495,0.0000867);(65.825985,0.00003832);(66.316418,0.00004953);(66.473817,0.00004283);(66.539505,0.00009796);(66.545152,0.00003391);(67.125266,0.0000484);(67.242869,0.00009494);(67.473333,0.00009831);(67.623772,0.00002285);(67.702987,0.00007951);(68.160592,0.00003817);(68.629085,0.0000441);(68.82918,0.00002853);(69.034158,0.00244791);(69.084708,0.00002943);(69.302268,0.0000796);(70.691667,0.00003189);(70.721758,0.00009739);(70.970156,0.00004891);(71.013399,0.0023579);(71.870993,0.00009021);(72.875322,0.00010314);(73.029063,0.17385617);(73.203344,0.00004436);(73.208024,0.0000432);(73.312166,0.00008597);(73.585856,0.00008025);(73.99481,0.00003428);(74.032363,0.00348668);(74.185793,0.00010473);(75.187196,0.00011826);(75.242793,0.00002887);(75.432789,0.00009216);(75.867009,0.00002514);(76.510126,0.00009649);(76.96521,0.00004313);(77.1319,0.00009208);(77.17527,0.000102);(77.208628,0.00005231);(77.272913,0.00009041);(77.721503,0.00010063);(77.742142,0.0000842);(77.866044,0.00006695);(77.891675,0.0000743);(78.054832,0.0000776);(78.958311,0.0001582);(79.021779,0.00487303);(79.284107,0.00004903);(79.537839,0.00010307);(79.568026,0.00004303);(79.93164,0.00009098);(80.200465,0.00010559);(80.445056,0.00005081);(80.635081,0.00010368);(80.98751,0.00008525);(81.51261,0.00011282);(81.673905,0.00008709);(81.680625,0.00009495);(82.803918,0.00003096);(83.08592,0.00011156);(84.054669,0.00007582);(84.598371,0.00008109);(85.0289,0.00216638);(85.14547,0.0000891);(85.156706,0.00003225);(85.62822,0.00013264);(86.341573,0.00008847);(86.386786,0.00008577);(86.822921,0.0001018);(86.987313,0.00010714);(87.044541,0.00176837);(88.290408,0.00009106);(89.060233,0.01453887);(89.841469,0.00002025);(89.844205,0.00004146);(89.969096,0.00010313);(89.972024,0.0000485);(90.063551,0.00194213);(90.659835,0.00005065);(91.057565,0.00006644);(91.169577,0.00002907);(91.341245,0.00003489);(91.747157,0.00009935);(91.897001,0.00004656);(92.994195,0.00002862);(92.999232,0.00003326);(93.026388,0.00002886);(93.38048,0.00009563);(93.550255,0.00008628);(94.346333,0.00002606);(94.534528,0.00010484);(94.582472,0.00007859);(94.73637,0.00008725);(96.542419,0.00004754);(96.554803,0.00009599);(96.89161,0.00003202);(97.028816,0.00043946);(97.114344,0.00007644);(97.668263,0.00009702);(97.696565,0.00012727);(98.03881,0.00010578);(98.975753,0.00097234);(99.109605,0.0000409);(99.112236,0.0000852);(99.741009,0.00011633);(99.744507,0.00013792);(100.283855,0.00009725);(100.849064,0.00010075);(101.811323,0.00010018);(102.930876,0.00011608);(103.854841,0.00003746);(103.938442,0.00003777);(104.462474,0.00004832);(106.382243,0.00004756);(107.306622,0.00008945);(107.53985,0.00010818);(107.82175,0.00010571);(108.944506,0.00003135);(109.521246,0.00009076);(111.314724,0.00004562);(111.403748,0.00012076);(111.667934,0.00010107);(111.809368,0.0001002);(112.193213,0.00008754);(115.039128,0.01062997);(116.096875,0.00009192);(116.986104,0.00054439);(117.165435,0.00009182);(119.757826,0.00010695);(120.084913,0.00003181);(120.771179,0.00011284);(121.000183,0.00008111);(121.028197,0.00010189);(121.428765,0.00003972);(121.695665,0.00012305);(122.167767,0.00010817);(123.393245,0.00009593);(123.52973,0.00008165);(123.896113,0.00009988);(124.202086,0.00003664);(124.694431,0.00005187);(125.379147,0.00008065);(125.841002,0.00005224);(127.795392,0.00005467);(128.062678,0.00007995);(128.374105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(358.844608,0.00003115);(358.97056,0.00030651);(359.952728,0.000102);(361.04036,0.00867654);(361.17295,0.00003078);(361.971392,0.00131598);(362.042042,0.00050405);(362.979283,0.00616183);(363.03953,0.00014702);(363.982544,0.00015904);(365.544511,0.00015449);(369.061483,0.00083016);(369.251873,0.00009655);(372.963924,0.00858085);(373.969944,0.0014163);(374.979552,0.08468663);(375.866481,0.00010885);(375.982601,0.01372287);(376.980306,0.00675883);(377.017227,0.00338291);(379.050712,0.00148345);(381.060613,0.00010835);(383.436236,0.00011424);(384.199524,0.00017558);(386.978917,0.00009668);(387.950863,0.00425336);(387.978293,0.00004419);(388.958647,0.01309566);(388.988471,0.00030049);(389.964948,0.00228137);(390.956918,0.00858351);(391.981575,0.01219037);(392.989883,0.04940373);(393.993187,0.00760159);(394.842156,0.00014958);(394.99094,0.01316553);(395.026908,0.00091104);(396.961555,0.00003333);(399.071099,0.0006545);(400.231387,0.00009578);(401.946546,0.00004873);(403.033086,0.00030532);(405.236954,0.00009131);(406.020073,0.00010302);(409.322246,0.00011859);(419.958744,0.00070271);(421.043434,0.01311506);(422.045943,0.00367168);(423.042074,0.0008542);(423.520004,0.00003255);(425.488031,0.00003071);(427.749272,0.00009938);(433.361771,0.00009396);(433.974965,0.00209871);(434.982505,0.01849261);(435.986178,0.00142867);(436.984112,0.0002525);(437.204012,0.00017137);(437.235418,0.01148195)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.25216,0.00011853);(50.339836,0.00011581);(50.485509,0.0000453);(50.502876,0.00006046);(51.002341,0.00009401);(51.052722,0.00005358);(51.829953,0.00011844);(51.891963,0.00010212);(52.090162,0.00009893);(52.348295,0.0000999);(52.446262,0.00005638);(52.659617,0.00009865);(52.761144,0.00005178);(53.106691,0.00010668);(53.181075,0.00005289);(53.265259,0.00012661);(53.337171,0.00008991);(53.355134,0.00009793);(53.380716,0.00010581);(53.513086,0.00010278);(53.955329,0.00011345);(54.400894,0.0001136);(54.494504,0.00009596);(55.048042,0.0000418);(55.282882,0.00011125);(55.393865,0.00010451);(55.775682,0.00004783);(55.797619,0.00009286);(55.935049,0.00005);(56.182265,0.00008909);(56.201792,0.00010197);(56.412727,0.00006192);(56.74741,0.00004557);(56.965626,0.00007592);(57.034214,0.01122958);(57.070542,0.0000403);(57.473224,0.00007914);(57.531029,0.00009234);(57.647898,0.00005381);(58.058046,0.00009876);(59.034945,0.00008519);(59.049847,0.00014966);(59.061088,0.00031209);(59.566316,0.00010129);(60.122162,0.00011412);(60.138917,0.00008947);(60.334368,0.00008797);(60.592184,0.00010159);(61.011382,0.02352406);(61.029129,0.02464948);(61.108631,0.00006015);(61.202939,0.0000967);(61.229493,0.00009582);(61.645692,0.00011961);(62.019192,0.00059029);(62.359801,0.00009657);(62.446052,0.00008331);(62.941311,0.00005605);(62.990718,0.00008776);(63.261328,0.00011157);(63.291026,0.0001066);(63.53047,0.00006794);(63.666655,0.00013164);(64.302753,0.00012788);(64.349557,0.00006162);(64.901295,0.0000848);(65.77893,0.00008933);(65.998356,0.00013624);(66.268352,0.00009428);(67.02138,0.00013604);(67.170813,0.0000924);(67.648537,0.00010634);(67.662614,0.00009735);(68.264499,0.00011455);(68.591605,0.00005249);(68.665682,0.00004578);(69.034172,0.00343196);(69.064931,0.00008344);(69.118028,0.00005115);(69.347542,0.00008046);(69.401829,0.00005301);(69.406702,0.00009648);(69.504689,0.00014903);(69.689527,0.0000967);(69.827748,0.000144);(70.122254,0.0001046);(70.128299,0.0001075);(70.281543,0.00011378);(70.30645,0.00008502);(70.399875,0.00013804);(70.762251,0.00006197);(71.013387,0.00282478);(71.087844,0.00011249);(71.642831,0.00008672);(71.986247,0.00004079);(72.777184,0.00008386);(72.834919,0.00005037);(73.02906,0.19900758);(73.047403,0.00006889);(73.253529,0.00004244);(73.399173,0.0000937);(73.450549,0.00005432);(73.543194,0.00010898);(73.807328,0.00008543);(74.03238,0.00408897);(74.174134,0.00009488);(74.617041,0.00008987);(74.637869,0.00010243);(75.708328,0.00013926);(75.7126,0.00005899);(75.784782,0.00008774);(76.226308,0.00009151);(77.098826,0.00011311);(77.196627,0.00011079);(77.290334,0.00005646);(77.761307,0.00012449);(77.784411,0.0001354);(78.741451,0.00012127);(78.821065,0.0000953);(78.908169,0.00008703);(79.021791,0.00529096);(79.143878,0.00008276);(79.669718,0.00010653);(79.96026,0.00005107);(80.120613,0.00014232);(80.277197,0.00007893);(80.316038,0.00014821);(80.879998,0.00016272);(80.990583,0.00009048);(82.036493,0.00011079);(82.160772,0.00011286);(82.258717,0.00011049);(82.642922,0.00015627);(82.955247,0.00005014);(83.527737,0.00009021);(84.247561,0.00013007);(84.413263,0.0001478);(85.028942,0.0048776);(85.200412,0.00009126);(85.442851,0.00011217);(85.562625,0.00010474);(85.726425,0.00010524);(85.81783,0.00005159);(86.319152,0.0000857);(86.615929,0.00010125);(87.044544,0.0023018);(87.416601,0.00012031);(87.854876,0.0000597);(88.065459,0.0001186);(88.521209,0.00004383);(88.827815,0.00011472);(89.060194,0.01131827);(89.521858,0.00012423);(89.587894,0.00011121);(89.809038,0.00009688);(90.063533,0.00098536);(91.05797,0.0001683);(91.235875,0.00009702);(91.374174,0.00011261);(91.944738,0.00009101);(92.146296,0.00008458);(92.859249,0.00038121);(92.86179,0.00013216);(93.033653,0.00010056);(93.086637,0.00010268);(93.359742,0.00010105);(93.646438,0.00013215);(93.888864,0.0000938);(94.342438,0.00014535);(94.742202,0.00009752);(95.878173,0.00005274);(96.900401,0.00011859);(97.028895,0.00007882);(97.036919,0.00004544);(97.289323,0.00011613);(97.901889,0.00016246);(98.975772,0.00491657);(99.510816,0.00010121);(100.367838,0.00009633);(101.052502,0.00012727);(101.846773,0.00010187);(102.009719,0.00010435);(102.96864,0.00011562);(103.590107,0.00005895);(103.620086,0.00012801);(104.120385,0.00004966);(104.641689,0.00013566);(105.031504,0.00010685);(105.936414,0.00004284);(106.143278,0.00012411);(107.024967,0.0001048);(107.866088,0.00018245);(108.093966,0.00010551);(109.032349,0.00009987);(109.165679,0.00011518);(109.22627,0.00010094);(109.640792,0.00011187);(110.484419,0.00012216);(110.98129,0.00009674);(111.007801,0.00206746);(111.388357,0.00013456);(111.470517,0.00013177);(112.405692,0.00009225);(112.888683,0.00011414);(113.686485,0.00013142);(115.034353,0.00005454);(115.039164,0.00399799);(115.432625,0.00006098);(116.409905,0.00009285);(116.986196,0.00340031);(117.785555,0.00009937);(118.789748,0.00013291);(119.081194,0.00012372);(119.710534,0.00004782);(119.856549,0.00007019);(119.99529,0.00004706);(120.196607,0.00010685);(120.213675,0.00004059);(120.978933,0.0002967);(121.028528,0.00272496);(121.505022,0.00013558);(122.960053,0.0000484);(123.056246,0.0001081);(126.65153,0.00011193);(128.873427,0.00010458);(129.898413,0.00005807);(130.505982,0.00006331);(132.036609,0.00004211);(132.312298,0.000062);(132.704515,0.00011294);(133.085675,0.00026606);(134.996416,0.0010094);(135.039096,0.00013216);(136.627419,0.00011191);(136.957732,0.00015249);(137.023255,0.01222486);(137.563596,0.00013689);(138.036148,0.00013471);(139.19465,0.0000569);(139.40077,0.00004328);(139.587821,0.00005575);(140.097215,0.00014428);(140.881305,0.00011588);(142.465188,0.00010564);(144.401419,0.00005091);(144.74064,0.00009578);(144.986966,0.00012018);(145.463965,0.00011806);(146.142131,0.00010592);(146.74916,0.00012824);(148.196984,0.00005254);(148.333561,0.00005827);(148.971596,0.00029171);(149.023299,0.0011856);(150.782199,0.00013267);(150.951148,0.00011139);(151.969908,0.0001022);(152.289257,0.00006681);(152.890287,0.00005549);(153.018284,0.01139925);(154.967986,0.00009056);(155.476527,0.00008703);(155.649272,0.00012974);(155.954372,0.00004848);(157.87954,0.00004259);(158.113025,0.00020764);(158.486126,0.00013325);(160.950443,0.00004812);(161.244644,0.00006384);(163.038811,0.00105178);(163.171128,0.00005059);(164.404992,0.00009802);(165.018186,0.01320814);(165.530414,0.00011059);(165.536187,0.00005573);(167.007987,0.00009686);(168.981574,0.00011232);(170.482879,0.0001436);(172.621169,0.00005096);(173.225665,0.00004182);(173.322332,0.00004935);(174.005627,0.0000587);(175.367915,0.00009798);(175.835435,0.00004909);(176.511985,0.00013926);(176.989253,0.00016214);(177.054998,0.00010457);(179.248079,0.00012308);(180.301375,0.0001178);(181.197583,0.00012995);(183.028744,0.00317163);(183.138263,0.00011689);(183.772679,0.0000682);(187.39501,0.00012032);(188.392928,0.00013369);(188.71082,0.00010996);(191.174081,0.00010064);(192.961652,0.00016288);(193.563804,0.00016763);(193.879129,0.00004143);(194.428289,0.0001111);(194.999938,0.00038265);(195.95992,0.00008115);(197.704938,0.00005541);(199.258091,0.00010679);(199.943169,0.00005796);(200.115217,0.00004045);(201.054335,0.0006074);(201.605817,0.00004098);(206.977437,0.00004107);(208.543302,0.00009748);(209.494776,0.00006279);(210.961227,0.00011962);(212.015637,0.00013056);(212.387488,0.00011782);(214.077865,0.0001163);(215.510083,0.00011926);(216.631973,0.00013408);(219.028094,0.00012448);(220.384158,0.000127);(220.751449,0.00250349);(223.987229,0.00004488);(224.168724,0.00005504);(225.043898,0.0000421);(225.218232,0.000171);(225.87366,0.0001352);(229.04955,0.01706816);(229.832828,0.00004335);(230.052407,0.00028305);(236.28571,0.00012309);(238.682937,0.00010396);(240.366737,0.00009872);(240.909603,0.00004364);(243.528609,0.00010612);(243.907364,0.00027682);(244.810602,0.00015192);(245.044418,0.00581631);(245.082279,0.00005392);(245.812417,0.00006397);(245.907367,0.00004957);(247.060102,0.00548284);(247.231608,0.00011246);(247.446249,0.00011357);(250.266683,0.00009759);(252.5033,0.00005447);(253.968553,0.00038605);(256.690917,0.00009956);(257.044313,0.01811516);(258.048008,0.00039272);(258.440238,0.00010002);(260.003107,0.00006754);(261.481542,0.00012525);(265.000312,0.0013294);(265.649755,0.00009156);(266.726718,0.00004302);(267.071216,0.00010932);(268.03641,0.00013312);(268.955924,0.00005096);(271.118742,0.00011495);(273.040001,0.00004162);(274.047143,0.00261851);(274.963888,0.00012064);(275.053783,0.00066266);(275.606402,0.00010174);(277.792887,0.0001145);(278.867289,0.00012064);(278.978937,0.00019367);(281.182034,0.00004397);(281.217261,0.00012521);(281.76572,0.0000609);(281.913523,0.00004687);(283.975455,0.00004887);(285.039154,0.0128019);(286.044063,0.00040852);(287.054815,0.00228478);(287.533185,0.0001297);(287.970903,0.00044851);(288.880463,0.0000448);(289.639113,0.00004147);(290.979428,0.00004986);(292.821311,0.00010514);(292.995747,0.00016945);(293.879994,0.00014435);(293.945521,0.00035705);(294.307116,0.00011252);(294.941623,0.00067648);(295.89892,0.00005701);(296.145939,0.00004343);(296.938994,0.00004199);(297.334513,0.00010236);(298.941069,0.00039333);(299.929933,0.00004395);(299.971389,0.00099345);(300.875861,0.00006619);(300.978503,0.00081189);(301.070308,0.00394842);(301.44252,0.00006353);(301.457407,0.00005661);(301.928966,0.00004576);(302.041533,0.0000792);(302.073531,0.00105645);(303.049737,1.0);(304.033637,0.00010141);(304.070909,0.00021196);(305.05522,0.01613826);(306.630649,0.00011621);(307.561412,0.00011703);(307.961846,0.00005961);(308.935656,0.00009187);(311.955755,0.00006186);(312.916039,0.00004892);(313.821358,0.00012279);(313.952587,0.00006925);(314.957587,0.00005656);(315.049387,0.00297652);(315.719382,0.000063);(315.966301,0.00393497);(316.973463,0.00483464);(317.981799,0.00054339);(318.112519,0.00013087);(318.973298,0.00005954);(318.990399,0.00010381);(320.274415,0.0001233);(320.990251,0.00080033);(322.927784,0.00011779);(323.811202,0.0001091);(325.179618,0.00013029);(325.201631,0.0001237);(326.95895,0.00017478);(327.96563,0.00008794);(328.973681,0.00135581);(333.976724,0.00280027);(334.98403,0.00224651);(336.839235,0.00005496);(336.986325,0.00029735);(337.169149,0.00011893);(337.782839,0.00011628);(339.000765,0.00019462);(341.066168,0.00029826);(341.973372,0.00018679);(342.953195,0.00026182);(343.030331,0.0002573);(344.455911,0.00010106);(344.969029,0.01529854);(345.060296,0.00100835);(345.975495,0.0045416);(346.968741,0.00077142);(350.422329,0.00009947);(350.943949,0.00004501);(353.841976,0.00037197);(356.969517,0.00539965);(358.913063,0.00009305);(358.968722,0.00006581);(359.00781,0.00010301);(359.955944,0.00070272);(361.04039,0.02285769);(361.971589,0.00025936);(362.042336,0.00601748);(362.979602,0.01309953);(363.038931,0.00042014);(363.983644,0.00093842);(364.981298,0.00008703);(366.286747,0.00012737);(367.31058,0.00013965);(369.71314,0.00004076);(372.963981,0.00643527);(373.278094,0.00012556);(373.96941,0.0010572);(374.97958,0.10489095);(375.982616,0.01773477);(376.980939,0.00466825);(377.017582,0.00524579);(379.051059,0.00669467);(380.05241,0.00044317);(380.609299,0.00004154);(383.309552,0.00010193);(384.091551,0.00004792);(387.339551,0.0001276);(387.950732,0.00645399);(388.958505,0.02239087);(388.993116,0.00075092);(389.962589,0.00239447);(390.958946,0.0040907);(391.98175,0.01103392);(392.989756,0.06348441);(393.993196,0.00956471);(394.990938,0.00872738);(395.027343,0.00136895);(396.892937,0.0001181);(398.518291,0.00010701);(404.54216,0.00005919);(406.020143,0.00025422);(416.559934,0.00012341);(421.043952,0.00072873);(423.451121,0.00012869);(425.539178,0.00009778);(429.903491,0.00004118);(430.887314,0.00011043);(435.544004,0.00006052);(437.235716,0.00354908)
LC-MS/MS	ESI- LC-Q-TOF/MS	Positive	low	View Spectrum	(73.0302,0.094);(111.0092,0.01);(115.0418,0.011);(121.0309,0.013);(137.0252,0.039);(153.0204,0.053);(155.0515,0.01);(165.0214,0.027);(173.0628,0.01);(201.0572,0.023);(229.0525,0.057);(257.0483,0.029);(285.0425,0.014);(303.0519,0.999);(304.0591,0.016);(435.0927,0.01)
LC-MS/MS	ESI- LC-Q-TOF/MS	Negative	low	View Spectrum	(151.0056,0.119);(179.0009,0.059);(199.0434,0.051);(227.0377,0.08);(243.0329,0.232);(255.0331,0.368);(271.0276,0.766);(300.03,0.999);(301.0391,0.589);(433.0771,0.703)

Food Sources

Name	Group
American cranberry	Fruit, Berries	Publications	Show
Apple	Fruit, Pomes	Publications	Show
Cocoa	Cocoa and cocoa products	Publications	Show
Cocoa bean	Cocoa and cocoa products	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Quercetin 3-O-arabinoside