PhytoHub: Showing entry for Naringenin-7-glucoside

Naringenin-7-glucoside

Identification

PhytoHub ID

PHUB001595

Name

Naringenin-7-glucoside

Systematic Name

Not Available

Synonyms

Prunin

CAS Number

529-55-5

Average Mass

434.397

Monoisotopic Mass

434.121296908

Chemical Formula

C₂₁H₂₂O₁₀

IUPAC Name

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

InChI Key

DLIKSSGEMUFQOK-SFTVRKLSSA-N

InChI Identifier

InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1

SMILES

OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.53e+00 g/l
LogS (ALOGPS): -2.45
LogP (ALOGPS): 0.17
Hydrogen Acceptors: 10
Hydrogen Donors: 6
Rotatable Bond Count: 4
Polar Surface Area: 166.14
Refractivity: 103.43419999999999
Polarizability: 42.58633227977184
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.9810923437586574
pKa (strongest acidic): 8.579384760542238
Number of Rings: 4
Rule of Five: No
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: CHEBI:28327
Phenol-Explorer: 201

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavanones

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(119.0521,0.72372372);(151.0066,0.83383383);(177.0215,0.1011011);(271.0655,1.0);(272.0692,0.15515516)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(70.22417,0.00900901);(85.02246,0.01401401);(85.03413,0.01101101);(114.71944,0.01001001);(128.03964,0.01501502);(147.04414,0.28328328);(148.04842,0.01101101);(149.0463,0.01501502);(150.37971,0.01101101);(152.98558,0.01001001);(153.00023,0.02202202);(153.01324,0.16016016);(153.01996,0.39239239);(153.40063,0.00900901);(154.02505,0.03103103);(161.06982,0.01201201);(163.07521,0.01201201);(179.04329,0.03703704);(187.62854,0.01601602);(189.05014,0.02002002);(189.06088,0.01501502);(219.02289,0.00900901);(231.05911,0.01701702);(231.0706,0.01201201);(272.06827,0.00900901);(273.07617,1.0);(274.04324,0.01101101);(274.06998,0.02402402);(274.08554,0.08308308);(275.0787,0.04104104);(276.09964,0.01901902);(411.19754,0.00900901)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.0276,0.00800801);(119.04698,0.01401401);(147.04297,0.12112112);(151.02693,0.00900901);(152.98853,0.00500501);(153.00275,0.01201201);(153.01886,0.34834835);(154.01892,0.02902903);(157.22789,0.00700701);(179.03052,0.00800801);(206.20244,0.00600601);(231.06873,0.00700701);(273.07571,1.0);(274.05029,0.01001001);(274.06671,0.03003003);(274.08105,0.1021021);(274.10559,0.00900901);(275.07639,0.02802803);(285.06525,0.01001001);(381.10043,0.00800801);(399.11563,0.00500501);(400.10605,0.00600601);(435.12787,0.02902903);(435.14435,0.02602603)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(107.0489,0.01001001);(119.05355,0.00700701);(147.00562,0.01101101);(147.03499,0.02302302);(147.04237,0.07807808);(147.73093,0.00600601);(152.99461,0.02102102);(153.01807,0.26126126);(153.94286,0.00600601);(227.01285,0.00700701);(271.99179,0.00700701);(272.07516,0.01001001);(272.49384,0.00800801);(273.01187,0.00800801);(273.0766,1.0);(274.04941,0.01401401);(274.07736,0.15815816);(275.06287,0.00700701);(275.08493,0.00800801);(287.02789,0.01301301);(399.1019,0.01201201);(435.09341,0.01801802);(435.11374,0.02102102);(435.13226,0.05405405)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(242.22572,0.00700701);(271.65082,0.00600601);(273.07574,1.0);(274.07858,0.19419419);(275.07706,0.00500501);(275.08835,0.00800801);(275.49243,0.00800801);(282.21332,0.00600601);(302.14514,0.00600601);(343.0495,0.01001001);(347.03546,0.01001001);(435.0564,0.00700701);(435.12396,0.18118118);(435.14133,0.07707708)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(91.0547,0.03603604);(119.0502,0.09309309);(123.045,0.02402402);(147.0451,0.28028028);(153.0193,0.65365365);(273.0759,1.0);(435.1291,0.02202202)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(97.02527,0.01801802);(107.0446,0.01401401);(119.05414,0.01701702);(123.04343,0.01401401);(147.04373,0.52152152);(148.05075,0.07907908);(149.03708,0.02702703);(149.04976,0.01501502);(153.01804,0.53753754);(154.00909,0.01401401);(154.0192,0.01301301);(154.40404,0.01201201);(154.72324,0.02002002);(155.02272,0.01701702);(163.06929,0.01201201);(165.01335,0.01401401);(167.02745,0.01601602);(168.21783,0.01301301);(172.75566,0.01401401);(193.83255,0.01201201);(207.02153,0.01501502);(214.87805,0.02102102);(231.02489,0.01401401);(231.06929,0.01001001);(255.05453,0.01601602);(261.04138,0.01501502);(273.02341,0.01201201);(273.07477,1.0);(273.10126,0.03303303);(273.2876,0.01301301);(273.34116,0.01001001);(274.0437,0.01901902);(274.07123,0.08508509);(274.08328,0.05205205);(274.46991,0.01101101);(275.08279,0.01501502);(275.09399,0.01101101);(275.75168,0.01301301);(276.86053,0.01001001);(292.04947,0.03003003);(301.97217,0.01901902);(352.08386,0.01101101);(377.06021,0.01101101)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(107.03939,0.00600601);(107.04408,0.00600601);(119.05121,0.02202202);(123.0473,0.00900901);(142.77567,0.00800801);(147.04221,0.01901902);(147.04816,0.02302302);(148.04625,0.01901902);(148.0524,0.00800801);(151.04587,0.01801802);(153.00188,0.00800801);(153.01826,0.16316316);(153.54066,0.00600601);(179.02121,0.01601602);(179.04108,0.00900901);(207.83852,0.00800801);(214.62218,0.00800801);(243.02271,0.00800801);(251.58682,0.00900901);(256.06589,0.00700701);(273.00226,0.00700701);(273.0159,0.00700701);(273.03644,0.00900901);(273.07526,1.0);(274.04291,0.00900901);(274.0748,0.12012012);(274.08859,0.06706707);(275.06906,0.02802803);(275.08356,0.01801802);(275.10089,0.00700701);(369.08398,0.01001001);(435.11487,0.01401401);(435.14377,0.00800801)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(67.00938,0.01801802);(67.01666,0.01501502);(91.03543,0.03003003);(91.05171,0.01501502);(91.05727,0.04804805);(111.00345,0.05505506);(119.05099,0.15515516);(121.06697,0.03003003);(123.043,0.03003003);(125.02109,0.02302302);(147.02904,0.03803804);(147.04413,0.26826827);(149.14352,0.01801802);(153.01851,1.0);(154.0114,0.02602603);(154.02705,0.02702703);(156.02269,0.04804805);(165.00899,0.02202202);(213.78015,0.05105105)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(106.64053,0.00800801);(184.6916,0.00700701);(273.02277,0.00700701);(273.07501,1.0);(274.03653,0.01201201);(274.08035,0.13013013);(274.0921,0.02902903);(275.08191,0.03103103);(276.09082,0.00600601);(315.07953,0.00500501);(417.12454,0.00600601);(434.12921,0.01001001);(435.04364,0.00700701);(435.12689,0.28828829)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(246.80594,0.00700701);(272.78067,0.00700701);(273.0285,0.01201201);(273.04697,0.01901902);(273.07635,1.0);(273.10349,0.00700701);(273.39694,0.00500501);(274.06143,0.00600601);(274.07922,0.09209209);(274.10706,0.00600601);(275.03693,0.00600601);(275.08957,0.02802803);(276.0867,0.00700701);(290.72626,0.00700701);(316.06546,0.00600601);(372.43475,0.00600601);(379.85678,0.00500501);(393.99097,0.00500501);(417.11813,0.01201201);(435.12845,0.32132132);(435.18167,0.00900901);(435.24417,0.00500501)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.02749,0.02002002);(91.04257,0.02402402);(91.04912,0.01501502);(91.05603,0.01801802);(95.03555,0.01601602);(95.04977,0.02302302);(107.04471,0.02002002);(119.05072,0.21421421);(123.04576,0.01601602);(147.04111,0.22022022);(147.05002,0.06606607);(148.05037,0.04804805);(153.01775,1.0);(154.03024,0.04304304);(157.06404,0.01801802);(177.02199,0.01601602);(179.31352,0.01801802);(195.03488,0.01301301)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(67.01765,0.04604605);(69.00072,0.01401401);(71.51128,0.01001001);(81.03324,0.01301301);(91.05626,0.05705706);(91.06422,0.01301301);(93.06992,0.01501502);(95.04704,0.03103103);(95.05338,0.01101101);(97.02477,0.04404404);(97.03304,0.01901902);(107.04486,0.01301301);(110.02808,0.01401401);(111.04998,0.01001001);(119.04656,0.02702703);(119.05084,0.07607608);(119.30578,0.01001001);(120.0423,0.01701702);(121.0649,0.01701702);(123.04263,0.04504505);(123.07124,0.00900901);(141.06601,0.01001001);(147.04108,0.21621622);(147.05205,0.03803804);(148.04761,0.07207207);(151.02893,0.00900901);(153.01746,1.0);(154.01675,0.06806807);(154.02705,0.01201201);(155.02367,0.00900901);(157.03833,0.01201201);(165.01915,0.01101101);(179.02341,0.01701702);(189.06779,0.01501502);(195.04411,0.00900901);(384.20312,0.00900901)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(65.0047,0.03203203);(83.0148,0.03403403);(93.0355,0.05005005);(107.0144,0.1041041);(119.0503,0.32732733);(151.0035,0.39039039);(177.0194,0.04804805);(271.0612,1.0);(433.1135,0.07607608)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.99989,0.00700701);(100.29955,0.00600601);(116.07469,0.00600601);(119.04458,0.00700701);(119.05193,0.01801802);(121.0739,0.01101101);(123.04713,0.01001001);(145.15033,0.00800801);(146.99072,0.00900901);(147.02359,0.01301301);(147.03699,0.0950951);(147.04597,0.25225225);(147.06357,0.00800801);(148.0451,0.04104104);(148.05721,0.00700701);(148.46896,0.00700701);(153.00237,0.03503504);(153.01776,0.72472472);(154.01987,0.07107107);(154.41551,0.00800801);(154.8125,0.00600601);(155.02626,0.00700701);(165.05275,0.00700701);(172.98734,0.00700701);(179.03671,0.02902903);(193.85558,0.01401401);(195.0177,0.00800801);(195.03,0.00900901);(199.08067,0.01101101);(205.05051,0.00800801);(244.03717,0.00800801);(271.25974,0.00700701);(272.99966,0.00800801);(273.07495,1.0);(274.05466,0.00700701);(274.07858,0.14814815);(274.09271,0.02702703);(275.04547,0.00800801);(275.06958,0.01001001);(276.10083,0.00900901)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	high	View Spectrum	(119.052,0.724);(151.007,0.834);(177.022,0.101);(271.066,1.0);(272.069,0.155)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.064045,0.00008861);(51.058317,0.0000859);(51.278003,0.00008501);(51.914286,0.00007185);(51.959765,0.00008964);(52.473846,0.0000793);(52.603283,0.00006736);(52.611778,0.00008507);(53.020171,0.00007567);(55.518345,0.00007364);(56.240285,0.00008973);(58.854276,0.0000693);(59.012449,0.00049302);(59.46767,0.00007694);(59.499665,0.00008711);(60.297463,0.00006776);(60.974098,0.000086);(61.209353,0.00007678);(61.624065,0.00009171);(61.849847,0.00008066);(61.865083,0.00006307);(61.986974,0.00070045);(62.942144,0.00006908);(63.022656,0.00034021);(63.266487,0.00007715);(65.00204,0.00157031);(65.113186,0.00008457);(65.443651,0.00008286);(65.485451,0.00008855);(65.554603,0.00007755);(67.851123,0.00008715);(68.368481,0.00009079);(68.69793,0.00007455);(68.705739,0.00009622);(69.154436,0.00007667);(69.16501,0.0000788);(69.283763,0.00007684);(69.475804,0.00006587);(69.698913,0.00008877);(70.636509,0.00007996);(70.751109,0.00008308);(71.354009,0.0000795);(71.549212,0.00008225);(71.57897,0.00008338);(71.581998,0.00008054);(72.336493,0.00007466);(72.594402,0.00007513);(72.640306,0.0000834);(72.740445,0.00007479);(72.802431,0.00009984);(72.956125,0.00008228);(73.996891,0.00007917);(74.019081,0.0000871);(74.135508,0.0000713);(75.140532,0.00009137);(75.61168,0.00007132);(77.348884,0.00008388);(78.316336,0.00009262);(81.098531,0.00007803);(81.210007,0.00008588);(81.614742,0.00008107);(82.359592,0.00008468);(83.012584,0.00207191);(84.266275,0.00008472);(87.088646,0.00009016);(89.08494,0.00007464);(92.272655,0.00008179);(93.033278,0.04555062);(93.106656,0.00007918);(94.036632,0.00200486);(94.721207,0.00006713);(96.241791,0.00007392);(96.9501,0.00008387);(96.980981,0.00007328);(97.114459,0.00006799);(100.10451,0.00007933);(101.507403,0.00009232);(101.721451,0.00008917);(103.073966,0.0000887);(103.823422,0.00008406);(106.024148,0.00008993);(106.331147,0.00009084);(107.012639,0.01197897);(108.016013,0.00010355);(111.387098,0.00008527);(113.759132,0.0001081);(116.05767,0.0000813);(118.205151,0.00008259);(119.049036,0.07754102);(119.053902,0.00126494);(120.047912,0.00009373);(120.052413,0.00625702);(120.520323,0.00008622);(121.028329,0.00054827);(122.356589,0.00009622);(125.023234,0.00829252);(125.884931,0.00008271);(126.026965,0.00011151);(127.576224,0.00008888);(127.978665,0.00008382);(130.155262,0.00007895);(130.358103,0.00008976);(132.073745,0.00009093);(133.433307,0.00009273);(136.358139,0.00008468);(138.611655,0.00008643);(141.055621,0.00007419);(141.073822,0.000089);(141.119789,0.00010556);(142.311911,0.00009491);(143.912842,0.00008808);(144.455725,0.00008516);(145.028413,0.002951);(148.718092,0.00008274);(149.023241,0.00114926);(151.00263,0.32807849);(151.681016,0.00007697);(151.835324,0.00008502);(152.005968,0.02591827);(152.012738,0.0001716);(152.508066,0.00009285);(153.007102,0.0015967);(153.473826,0.00007098);(155.828837,0.00011398);(158.429342,0.00007768);(161.023039,0.00010416);(161.627823,0.00008479);(164.010536,0.00361062);(165.018396,0.01330994);(165.316488,0.00007851);(166.021848,0.00029868);(169.013389,0.00713092);(172.309038,0.00008397);(174.753748,0.00008268);(175.002838,0.0179896);(175.292305,0.00007007);(176.006298,0.00069906);(176.673918,0.00007635);(177.018502,0.04933317);(178.021907,0.00455422);(178.857356,0.0000692);(179.034226,0.00065388);(179.053245,0.0001008);(179.067615,0.00009158);(179.36123,0.00007944);(180.176808,0.0000856);(181.079502,0.00009993);(182.561206,0.0001051);(183.590458,0.00008422);(184.086677,0.00008393);(184.543615,0.00008434);(186.357759,0.00009452);(190.089345,0.00008803);(191.101362,0.00009393);(193.013622,0.01644616);(194.016831,0.00082706);(199.102367,0.00008227);(199.207536,0.00008167);(200.422316,0.00009834);(200.792018,0.00007914);(205.013862,0.00114319);(205.239514,0.000086);(206.403288,0.00007952);(207.18271,0.000085);(208.637045,0.00008427);(213.265985,0.00009189);(213.839168,0.00008527);(214.529692,0.00185745);(214.542088,0.00300267);(214.554117,0.00256676);(214.562935,0.00073119);(214.907527,0.00007564);(219.029513,0.00183177);(219.113826,0.00010023);(222.152473,0.00008297);(222.933041,0.00008565);(227.071113,0.00485889);(229.645181,0.00008941);(242.726217,0.00009546);(244.840116,0.00011051);(253.05067,0.00063488);(255.065842,0.00009432);(257.309548,0.00007729);(261.517407,0.00008662);(263.038221,0.00010043);(267.065252,0.00009198);(268.037779,0.0159716);(269.045118,0.00981055);(270.051701,0.00096563);(271.03371,0.00153964);(271.061223,1.0);(271.906204,0.00009333);(272.064497,0.16868126);(273.066768,0.02198573);(274.069623,0.00136746);(275.174631,0.00007842);(283.062294,0.0004095);(284.860663,0.00008664);(285.076977,0.0085606);(285.36724,0.00009388);(286.079501,0.00045063);(293.043104,0.00120871);(294.832585,0.00011048);(295.061116,0.00675955);(296.063912,0.00025093);(301.78439,0.00009759);(307.212852,0.00009586);(312.935455,0.00011177);(313.071749,0.01600014);(313.241456,0.00007732);(314.075333,0.00267417);(332.300332,0.00008063);(341.271893,0.00008776);(345.67372,0.00008536);(357.650227,0.00008068);(365.774494,0.00008043);(379.365831,0.0000908);(385.67928,0.00009346);(415.738232,0.00009959);(416.190948,0.00009456);(416.198326,0.00009923);(416.207534,0.00009964);(423.569669,0.00010179);(423.599191,0.00009472);(431.097895,0.00739779);(432.101778,0.00063838)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.131711,0.00023548);(50.972932,0.00021675);(51.618175,0.00025642);(52.028171,0.00025915);(53.226835,0.00022408);(53.276356,0.00022419);(54.391878,0.00021643);(55.520856,0.00022181);(55.86897,0.00021465);(56.828229,0.0002125);(57.070627,0.00553987);(58.044196,0.00020793);(58.048019,0.00023237);(58.065742,0.00024557);(58.543186,0.00027552);(59.0611,0.03441413);(59.448268,0.0002951);(59.787031,0.00034918);(60.045096,0.00203388);(61.011359,0.03776279);(61.600159,0.00026893);(62.019262,0.0023867);(62.674023,0.00026468);(63.116184,0.0002353);(63.219463,0.00022265);(63.376455,0.00024774);(63.505989,0.00027294);(64.065335,0.00025526);(66.343175,0.00019487);(67.054924,0.00032426);(67.854524,0.00024386);(69.034202,0.00028226);(69.070569,0.00154794);(71.07116,0.00030044);(71.086241,0.00384924);(72.038581,0.00024124);(73.047524,0.00385896);(74.142049,0.00023846);(75.776404,0.00022965);(78.906211,0.00023821);(79.021803,0.00909125);(80.839989,0.00020828);(80.961001,0.00024461);(81.070432,0.00043403);(83.110362,0.0003033);(83.741965,0.00026039);(84.373385,0.00032709);(84.394114,0.00035724);(85.028986,0.00469113);(85.101657,0.00091373);(86.513128,0.00024546);(87.044643,0.00031112);(89.060198,0.00465071);(90.947915,0.00022159);(91.057809,0.00623335);(91.090076,0.00025568);(91.512591,0.00023281);(91.894379,0.00038138);(92.095231,0.00027302);(92.892493,0.00024779);(94.545704,0.00029348);(95.085975,0.00189353);(96.269789,0.00026045);(97.02897,0.00064033);(97.101536,0.00030939);(98.975726,0.0110109);(99.754803,0.00025788);(99.875277,0.00023331);(101.003579,0.0029416);(101.758814,0.00023862);(103.227522,0.00025262);(103.534055,0.00024459);(103.79693,0.00020073);(104.992579,0.00201791);(105.03381,0.00036741);(107.049499,0.00024814);(109.101571,0.00024295);(113.029383,0.00021193);(116.052931,0.00136488);(116.986136,0.00703074);(120.449355,0.00030568);(121.064997,0.00309537);(123.044223,0.00084848);(129.383612,0.00027148);(130.567219,0.00026229);(132.749425,0.00025898);(133.086014,0.00068755);(133.738422,0.00027437);(133.990637,0.00024322);(134.956133,0.00951652);(134.99644,0.00132312);(135.080657,0.00033823);(141.843752,0.00030978);(146.920502,0.00031921);(146.974433,0.00087165);(147.043984,0.07545556);(147.974109,0.00025524);(148.047206,0.00624784);(148.971741,0.00912264);(149.023055,0.00067525);(150.950947,0.01324281);(150.968773,0.00039781);(152.694615,0.00029905);(152.966601,0.00450215);(153.018127,0.13006954);(154.021529,0.00915412);(154.35509,0.00026364);(159.582058,0.00031434);(160.989979,0.00232526);(161.059707,0.00368674);(162.651239,0.00025988);(165.018366,0.00115944);(166.9663,0.00026387);(166.982371,0.00076753);(167.055243,0.00119308);(168.594199,0.00026502);(168.961763,0.00224139);(171.021484,0.00033983);(171.028665,0.01932012);(176.967251,0.00051461);(179.033732,0.00176303);(180.426981,0.00031012);(180.960806,0.00032631);(182.977265,0.00030351);(185.961409,0.00095429);(186.878478,0.00103715);(186.927411,0.00035164);(190.966218,0.00545055);(191.000757,0.00207072);(191.964341,0.00360214);(192.961546,0.1139089);(193.963935,0.00322299);(194.958292,0.00157913);(195.028614,0.00626951);(196.949711,0.0004319);(196.956736,0.0003346);(201.486888,0.00026858);(204.888499,0.0002922);(204.961879,0.00536803);(206.925924,0.00042365);(206.977766,0.0036457);(206.988128,0.00035373);(208.976559,0.00429732);(209.975041,0.00234936);(210.972071,0.06698886);(210.983571,0.0004902);(211.974617,0.0016656);(212.971714,0.00286548);(214.434898,0.00498531);(214.454313,0.00427759);(214.466963,0.00104947);(214.967543,0.0007331);(216.344231,0.00032835);(219.02854,0.00529839);(222.8985,0.00352067);(224.899012,0.00051582);(224.987679,0.00038773);(225.823626,0.00025819);(226.963454,0.00034474);(226.983514,0.00024676);(229.052056,0.00101689);(229.89592,0.01155328);(230.925856,0.00070075);(231.028575,0.00247896);(231.066461,0.00030752);(231.89565,0.00029501);(232.941665,0.00029429);(233.891192,0.00246211);(237.954963,0.00030376);(238.968037,0.00026644);(240.908954,0.00953864);(242.90947,0.00281329);(243.727477,0.00030012);(244.904482,0.00060096);(245.566716,0.00025979);(246.898618,0.00284045);(247.906288,0.00474446);(248.898657,0.00030298);(248.914959,0.00028521);(248.936522,0.00420455);(249.514547,0.00022849);(250.893833,0.00642113);(252.948267,0.00041276);(255.065391,0.00072686);(258.898839,0.00044831);(258.923634,0.00034672);(261.038976,0.00128866);(262.895053,0.00029782);(262.913808,0.00523634);(263.911592,0.00100336);(264.908981,0.04672945);(265.910982,0.00219608);(265.93886,0.00028947);(266.909599,0.00768326);(266.925069,0.00157503);(268.904808,0.00242804);(269.362464,0.00025156);(270.899823,0.0032984);(271.059853,1.0);(272.063116,0.16466888);(272.899571,0.00080085);(272.936432,0.01088595);(273.075559,0.43098609);(274.078891,0.07195064);(274.172893,0.00026107);(274.893675,0.01492665);(274.936683,0.00027554);(274.969642,0.00582703);(275.0809,0.00859995);(275.901936,0.01410398);(275.971292,0.00062317);(276.909411,0.009896);(276.930496,0.00492006);(276.967393,0.00037776);(277.933141,0.00024488);(278.545916,0.00034409);(278.925514,0.00294425);(279.89642,0.00031962);(280.924213,0.00522137);(281.896452,0.00035127);(281.9115,0.00244948);(282.902741,0.00341803);(282.919245,0.04019409);(283.921833,0.00186457);(284.902263,0.00031589);(284.91964,0.01275483);(285.075341,0.01148738);(285.219703,0.00037758);(286.894375,0.00865353);(286.913984,0.01338973);(287.054644,0.01008835);(287.091075,0.01931305);(287.91279,0.00244572);(288.057655,0.00032636);(288.09475,0.00161852);(288.850317,0.00024801);(288.891338,0.00200314);(288.908897,0.08119547);(288.951127,0.002088);(289.911261,0.00923313);(289.950479,0.00071311);(290.909015,0.01446413);(290.9261,0.0028393);(290.947102,0.05252378);(291.125457,0.00296799);(291.909178,0.00118619);(291.949747,0.00363083);(292.903925,0.03658243);(292.94743,0.00092983);(292.979967,0.00083532);(293.905721,0.00224194);(294.904237,0.00148356);(294.941805,0.00240619);(295.927565,0.00135725);(296.899143,0.00046333);(296.934994,0.00289833);(298.463344,0.00028295);(298.941581,0.00040914);(300.124979,0.00027626);(300.909459,0.00164317);(301.000891,0.00025088);(302.925868,0.00087681);(303.928009,0.00123022);(304.924161,0.05126697);(304.962056,0.00034089);(305.922843,0.03892755);(306.919436,0.41580784);(307.921596,0.04908275);(308.91997,0.0717331);(308.956367,0.00859997);(309.91999,0.00906711);(310.914886,0.03705073);(311.293836,0.01151854);(311.917085,0.00334108);(312.297705,0.00157192);(312.913869,0.00587038);(314.912214,0.00551085);(316.903927,0.01056696);(318.920299,0.00624847);(319.923714,0.00030673);(320.935748,0.00753406);(322.93453,0.01240249);(323.933159,0.00805894);(323.958978,0.00043327);(324.930054,0.09217673);(325.932641,0.01154303);(326.718561,0.00028469);(326.930429,0.0263042);(326.996829,0.00032057);(327.931555,0.001214);(328.926051,0.00932281);(329.176135,0.00045284);(330.921667,0.00151158);(333.117565,0.00915999);(333.151335,0.00141268);(334.120856,0.00033683);(334.916984,0.00035885);(335.165818,0.01042666);(336.168647,0.00035081);(336.838812,0.00429921);(337.18197,0.00640473);(337.93827,0.00274124);(338.185581,0.0003109);(338.944343,0.00064083);(345.00552,0.01129116);(346.007188,0.00036397);(347.043035,0.00062285);(348.954025,0.00030794);(350.946553,0.0074141);(351.088363,0.00025636);(351.128184,0.0118575);(351.162919,0.00026182);(351.89967,0.00120164);(351.9485,0.00114313);(352.130994,0.00076809);(353.177021,0.00071969);(353.841294,0.00142228);(354.177598,0.00033678);(355.192775,0.00640865);(355.931066,0.00187831);(357.208345,0.01008505);(357.844885,0.0002758);(358.21066,0.00082792);(358.844107,0.0060126);(359.022464,0.00474303);(360.838597,0.03485019);(361.148787,0.00420571);(361.840358,0.00281928);(362.152368,0.00034782);(362.841047,0.00071934);(363.01552,0.00827203);(364.962648,0.00155809);(365.144957,0.00029557);(375.166958,0.00064589);(375.196047,0.00209446);(375.218875,0.00363622);(376.853728,0.00026047);(377.032418,0.00060465);(378.849193,0.01215432);(379.159667,0.00136329);(379.850139,0.0006656);(389.178973,0.00170463);(394.843692,0.00062581);(405.008176,0.01041335);(406.84335,0.00197119);(407.189688,0.00030391);(407.847808,0.00026296);(408.201124,0.00026537);(412.339123,0.00390776);(413.321468,0.00217333);(415.301689,0.00450701);(417.211281,0.00936832);(418.214184,0.00084496);(419.27645,0.01370708);(420.278807,0.00176244);(423.014518,0.00068613);(423.218418,0.00033817);(427.338606,0.00114296);(428.334417,0.01231412);(429.168725,0.00026289);(429.282595,0.00524655);(429.317366,0.01535498);(430.287254,0.00031116);(430.32052,0.00187612);(433.197471,0.00034452);(437.235114,0.01536547);(438.237402,0.00177701)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(51.326523,0.00026957);(51.693937,0.00026447);(52.111261,0.00028352);(52.416271,0.00028205);(52.834368,0.00030013);(53.01865,0.00026381);(54.550298,0.00025377);(55.051205,0.00028885);(55.527575,0.00029129);(55.888109,0.00029283);(56.283485,0.00034025);(56.316789,0.00032034);(58.106109,0.00031127);(59.012434,0.00028724);(59.490484,0.00033406);(60.143332,0.00026399);(60.176873,0.0003677);(61.042252,0.00026733);(61.096173,0.00026157);(61.986934,0.00057632);(62.364109,0.0002948);(62.943281,0.00021355);(63.022637,0.01422173);(63.263269,0.00026408);(63.74116,0.00027309);(64.389587,0.00034862);(64.739949,0.00025803);(65.001937,0.03238766);(65.40762,0.00029142);(65.975516,0.00032559);(67.580074,0.00026211);(67.59478,0.00035461);(67.905244,0.00023699);(69.789279,0.00032096);(72.323865,0.00031317);(72.706883,0.00029722);(72.959752,0.00027581);(75.251097,0.0002954);(75.515409,0.0002496);(76.96396,0.00029763);(77.211319,0.00028986);(77.649917,0.00027478);(78.454834,0.00029733);(78.868327,0.00025158);(79.122649,0.00032879);(79.196872,0.00025614);(79.219191,0.00022815);(79.600398,0.00027677);(80.343594,0.00023656);(80.412333,0.00027514);(80.427572,0.00025093);(81.187593,0.00028932);(81.392593,0.00036554);(82.30227,0.0002644);(83.012511,0.03078433);(83.342309,0.0003347);(84.11466,0.00032641);(85.45135,0.00027779);(86.751378,0.0002646);(86.943174,0.00025377);(87.767156,0.00021596);(88.801723,0.00023059);(89.848075,0.00028039);(90.004675,0.00031361);(90.592147,0.00027748);(91.111116,0.00029872);(91.718866,0.00031322);(93.033274,0.14092101);(93.036503,0.00073328);(93.136169,0.00030467);(93.590446,0.00029809);(94.036576,0.00530761);(95.986898,0.00023946);(98.056124,0.0003912);(98.167816,0.00031354);(99.718274,0.00026434);(100.76709,0.00026746);(105.314876,0.00032149);(105.778955,0.00032693);(107.008834,0.00401287);(107.012617,0.12980948);(108.015936,0.0056343);(108.457549,0.00030764);(109.717967,0.00031056);(110.009843,0.00032723);(110.161515,0.0003003);(110.618168,0.00027336);(110.69608,0.0002962);(115.33882,0.00028172);(115.757709,0.00027939);(116.47633,0.00034228);(118.381024,0.00033872);(119.023343,0.00032018);(119.04903,0.49867191);(120.052347,0.04355489);(120.056508,0.00038456);(121.028266,0.00376882);(123.163701,0.0002847);(125.023238,0.02362458);(126.927129,0.00034173);(129.43763,0.00030172);(131.012491,0.00071868);(131.067167,0.00032693);(132.495643,0.00027934);(133.334312,0.00023624);(134.317336,0.00031248);(136.015343,0.00114754);(136.557356,0.00027131);(137.023302,0.00122394);(138.28995,0.00027572);(142.132342,0.00036156);(143.443254,0.00032692);(145.028394,0.01100098);(147.229913,0.00027637);(147.343971,0.00033298);(149.017312,0.00031457);(149.023318,0.00451772);(149.631728,0.00030455);(151.002629,1.0);(152.005947,0.08076257);(152.56153,0.0003083);(152.69747,0.00028821);(153.007118,0.00347155);(153.317829,0.00028379);(155.312335,0.00024534);(155.407115,0.00025589);(156.949733,0.00037541);(158.045714,0.00028078);(161.244903,0.00036856);(163.860587,0.00028958);(164.010496,0.02214329);(165.018455,0.04209821);(166.022136,0.00067209);(168.10357,0.00024874);(169.01338,0.02348003);(169.83566,0.00031376);(170.017677,0.00028699);(172.003231,0.00032369);(173.795513,0.00041893);(174.186506,0.00035437);(175.002767,0.02981031);(177.018487,0.11713518);(178.0219,0.00824537);(179.035045,0.00033037);(181.480753,0.00032021);(183.421165,0.00025525);(185.059964,0.00195746);(186.212994,0.00024952);(187.03939,0.00087676);(191.558827,0.00032387);(192.8622,0.00027695);(193.01363,0.01599312);(197.425595,0.00034486);(199.111707,0.00026965);(201.265096,0.00039566);(205.013731,0.00082563);(206.756653,0.00030863);(206.959644,0.00037938);(211.833725,0.00025803);(214.522866,0.00072178);(214.533332,0.00468024);(214.542647,0.00960989);(214.548288,0.00939144);(224.338402,0.00037103);(224.557707,0.00030453);(227.07095,0.02078495);(228.074014,0.00034993);(234.023136,0.00026296);(239.169933,0.00034007);(240.497207,0.00029829);(253.050314,0.00214259);(253.518293,0.00031973);(257.045985,0.00033238);(261.887713,0.00031527);(262.458414,0.0003814);(268.037797,0.04690154);(269.043628,0.01110726);(269.673669,0.0003583);(270.051118,0.00039664);(270.97679,0.00030116);(271.06125,0.52145188);(272.064485,0.08689152);(273.067014,0.0086704);(285.076261,0.00354145);(293.141255,0.00034979);(305.327564,0.00037507);(305.824399,0.00030564);(309.121478,0.00026084);(309.305874,0.00028834);(317.095127,0.00031837);(331.606278,0.00032866);(358.234578,0.00029765);(360.083771,0.00031508);(378.427416,0.00027401);(378.847713,0.00039704);(378.898078,0.00031001);(382.502061,0.00037317);(384.850589,0.00031786);(386.245236,0.00032892);(390.8886,0.00026034);(395.104052,0.00035106);(397.321788,0.00033718);(397.447709,0.00035514);(408.387726,0.00030855);(431.091774,0.00030962)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(51.186278,0.00028189);(51.332674,0.00030426);(51.798646,0.00027035);(52.127655,0.00031489);(52.506179,0.0002672);(52.620883,0.0003849);(53.661624,0.00025528);(53.934067,0.00035338);(54.080239,0.00032336);(54.229344,0.00027968);(54.425287,0.00033655);(54.721366,0.00027507);(54.743308,0.0002805);(55.219094,0.00032558);(55.444786,0.00030681);(57.415111,0.00027714);(57.544534,0.00027431);(59.353594,0.0003181);(59.36594,0.00033518);(59.533763,0.00027173);(60.365371,0.00027299);(61.329587,0.00030473);(61.470189,0.00035939);(62.039943,0.00161188);(62.046573,0.00033696);(62.468298,0.00036459);(62.677861,0.00033731);(62.683209,0.00023029);(62.705033,0.00032848);(63.022662,0.08706935);(63.252751,0.00029667);(63.915043,0.00028261);(64.025993,0.0024944);(64.403681,0.00032257);(65.001953,0.25224099);(65.010789,0.00035572);(66.005296,0.0078887);(66.539898,0.00042348);(67.479592,0.00038287);(67.97366,0.0003184);(68.372355,0.0002962);(68.599996,0.00035553);(68.996768,0.00077811);(69.503231,0.00031354);(71.014726,0.00030993);(72.263827,0.00036427);(72.301819,0.00033496);(72.805146,0.00032134);(73.039528,0.00029966);(73.162641,0.00031872);(75.263049,0.00030917);(75.605661,0.00029384);(78.528311,0.00028202);(80.02539,0.00075112);(81.033098,0.00028353);(81.411139,0.00036201);(83.012519,0.13191331);(84.015871,0.00187923);(85.745575,0.00042731);(86.306156,0.00032156);(86.390757,0.00025166);(87.324672,0.00031519);(87.337827,0.00032932);(87.797378,0.00035776);(88.157823,0.0002851);(88.54002,0.00035944);(89.370936,0.00033851);(89.441836,0.0003441);(90.08278,0.00027021);(91.017231,0.00028597);(91.792882,0.00027441);(92.178953,0.00028866);(93.033272,0.12633419);(93.365768,0.00032202);(94.036641,0.00550142);(95.012567,0.0003941);(95.571076,0.0002801);(96.162267,0.00033833);(97.028101,0.00165807);(100.021615,0.00033501);(102.025033,0.00032718);(102.122957,0.00031283);(103.01753,0.00063286);(104.349721,0.00038504);(105.110363,0.00028044);(105.611951,0.00029453);(107.012625,0.3107788);(107.03272,0.00031946);(108.015983,0.01913769);(108.020431,0.02241562);(108.024408,0.00033432);(109.028297,0.00187785);(110.322859,0.0003821);(111.498564,0.00034339);(112.45907,0.00031939);(112.533379,0.00030628);(115.838559,0.00028963);(117.033366,0.00347508);(119.040996,0.00042888);(119.049049,1.0);(120.052363,0.08315056);(120.757799,0.00034208);(121.028371,0.01245731);(121.037039,0.00030925);(121.055658,0.00035118);(122.267353,0.00032854);(123.72398,0.00030904);(125.023345,0.01043019);(125.800869,0.00031723);(127.450897,0.0003269);(127.986325,0.00031139);(129.021857,0.00039339);(130.976378,0.00034155);(131.012685,0.00966564);(133.028352,0.00072334);(136.015457,0.01389168);(136.862245,0.00030473);(137.023204,0.00518081);(137.94004,0.00041502);(143.048995,0.00675465);(143.615664,0.00034973);(145.028475,0.01469312);(147.596214,0.00037184);(147.762673,0.00031689);(148.474118,0.00023273);(149.023505,0.00174038);(150.238927,0.00029831);(151.002637,0.36703559);(151.036126,0.00033518);(151.100559,0.00037617);(152.005961,0.02886608);(153.006528,0.00044311);(155.613119,0.00031145);(157.065095,0.00033826);(159.043991,0.00034525);(160.567553,0.0002675);(161.05985,0.00616504);(162.558856,0.00032286);(163.032821,0.00034812);(164.01056,0.00957232);(165.018431,0.02303102);(168.00732,0.00032812);(169.013277,0.00388316);(170.035938,0.00033277);(171.807376,0.00031781);(172.942777,0.00037027);(174.147763,0.00024727);(175.002982,0.00619561);(175.864581,0.00032163);(177.018499,0.04832168);(178.021729,0.00106031);(180.267825,0.00033149);(185.060122,0.0120774);(186.94213,0.00029298);(187.039365,0.01911151);(188.042349,0.00073951);(188.730505,0.00029795);(193.408391,0.00031928);(197.60297,0.00067984);(197.941334,0.00029313);(199.455945,0.00028698);(199.675909,0.00040077);(213.77673,0.00026506);(220.6012,0.00035908);(220.615642,0.00273137);(220.63427,0.00169636);(220.650746,0.00145344);(221.60368,0.00040728);(224.697538,0.00037844);(227.071261,0.00189747);(229.050648,0.00088663);(229.740459,0.00030126);(239.035456,0.00036867);(253.050677,0.0003554);(263.800574,0.00034877);(264.82233,0.00039151);(264.839187,0.00043075);(265.645575,0.00038361);(266.656578,0.00039252);(268.037817,0.02269635);(269.041852,0.00120537);(271.061476,0.00493565);(273.26032,0.00036645);(274.150733,0.00036136);(274.861591,0.00038228);(283.718407,0.00033349);(293.771186,0.00034888);(294.032009,0.00040718);(299.536901,0.00034319);(304.031252,0.00039791);(306.397004,0.00031393);(332.235755,0.00032467);(335.15718,0.00031342);(339.515567,0.00033142);(345.431141,0.00037294);(350.301935,0.00036086);(355.361861,0.00028914);(358.023047,0.00036328);(380.255223,0.00038787);(383.821443,0.00035313);(392.791494,0.00035429);(414.840475,0.00030192);(426.976353,0.00037872);(435.793849,0.00040678)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.094208,0.00047178);(50.601857,0.00048024);(51.29171,0.00047627);(51.525862,0.00047007);(52.377075,0.00042214);(52.586858,0.00050352);(52.615788,0.00057163);(54.473045,0.00056766);(54.480397,0.00042701);(54.913959,0.00051818);(55.027312,0.00049259);(55.047,0.00065483);(55.054979,0.00078709);(55.081866,0.00055496);(55.108412,0.00045035);(55.959958,0.00064735);(56.965413,0.00121211);(57.070572,0.00696054);(57.217066,0.00046634);(57.881919,0.00066114);(58.367253,0.00060615);(58.630637,0.00056594);(59.061085,0.03294642);(60.045181,0.0006157);(60.048899,0.00055503);(61.009701,0.00264392);(61.011348,0.10021322);(61.01294,0.00093428);(61.038852,0.00048602);(61.351296,0.00040634);(61.657424,0.00049066);(62.014675,0.00072422);(62.019103,0.00582481);(62.124094,0.00042763);(63.00711,0.00391842);(63.082038,0.00042423);(65.162002,0.0004426);(66.454973,0.00049045);(67.05485,0.00251769);(69.070502,0.00161754);(70.958554,0.00077126);(71.086004,0.00222531);(71.603553,0.00041198);(72.081346,0.00064386);(72.93778,0.00254227);(73.019566,0.00055755);(73.047385,0.00264852);(74.140509,0.00046068);(76.576057,0.0005724);(77.115323,0.00056571);(77.181468,0.00044777);(79.021751,0.00810187);(79.770486,0.00060761);(81.070366,0.00075513);(82.607796,0.00055877);(83.085991,0.00082789);(85.028803,0.00394335);(88.930664,0.00057824);(89.060064,0.00130721);(89.875672,0.0006402);(89.94044,0.00080738);(90.947917,0.0012966);(91.057829,0.00312124);(91.445334,0.00071743);(92.687108,0.00059504);(94.225191,0.00060963);(95.085601,0.00062404);(97.101597,0.00046827);(98.975666,0.04210543);(101.334384,0.0004898);(104.992643,0.00078458);(106.094364,0.00049557);(106.912072,0.00064721);(107.049297,0.00303399);(107.056559,0.00061786);(114.820119,0.00047063);(116.986046,0.03359712);(119.049294,0.0090183);(120.101582,0.00052845);(121.065096,0.00064474);(123.044151,0.00654587);(125.039323,0.00045113);(125.869552,0.0005177);(128.963461,0.00162817);(130.979063,0.00289713);(131.822646,0.0004819);(132.958456,0.00136621);(134.956115,0.02030474);(134.996357,0.00633558);(135.079895,0.00065636);(136.534648,0.00062499);(138.280977,0.00055661);(138.297691,0.00058421);(139.659856,0.00046297);(144.369637,0.00047223);(146.974299,0.0101075);(147.043968,0.18316985);(147.540342,0.00053256);(148.047148,0.01614587);(148.97176,0.04811455);(149.02281,0.00054865);(149.971785,0.00115146);(150.95095,0.02887467);(150.968345,0.00376608);(151.03922,0.0006739);(152.041908,0.00070533);(152.966688,0.01157552);(153.018122,0.34250653);(153.958827,0.00108065);(154.021444,0.02477468);(154.027758,0.00059578);(155.912264,0.00047284);(156.703319,0.00058167);(159.867869,0.00067709);(160.539894,0.00060196);(160.989204,0.00175595);(161.05955,0.00638618);(163.827689,0.00077955);(163.835618,0.00066079);(163.8697,0.00051988);(165.018013,0.0030718);(166.982249,0.0112829);(168.961458,0.00466355);(170.45341,0.00066407);(171.028671,0.02659507);(174.005722,0.00067032);(177.938327,0.00073902);(179.03377,0.00238509);(186.927767,0.0008568);(189.053651,0.00060522);(190.966414,0.00207077);(191.964475,0.00054011);(192.961502,0.08466797);(193.965067,0.00059335);(194.957357,0.00089175);(195.028443,0.00355769);(196.957904,0.00064616);(203.258406,0.00049012);(204.961631,0.00080223);(206.926365,0.00149787);(206.977321,0.00364411);(209.975674,0.00221442);(210.850658,0.00071831);(210.971971,0.05351672);(212.96969,0.00132011);(214.438172,0.00885452);(214.447157,0.01650967);(214.968884,0.00073548);(216.436986,0.00059645);(219.02805,0.00066565);(220.903502,0.00249532);(221.901644,0.00152739);(222.898618,0.04523193);(223.486173,0.0005401);(224.899491,0.00059422);(226.89358,0.00073538);(226.963775,0.00319235);(227.900797,0.00236047);(228.888863,0.00059223);(229.895788,0.0473309);(230.925113,0.00075204);(231.028163,0.00060688);(232.959412,0.00070003);(233.891189,0.0115098);(234.848491,0.00057715);(234.898855,0.00208266);(238.913818,0.01051978);(240.908917,0.08380214);(241.910286,0.00226989);(242.642747,0.00058744);(242.909586,0.00946259);(244.47639,0.00057571);(244.884301,0.00057057);(244.904471,0.00220681);(244.97421,0.00299786);(245.910321,0.00142682);(246.898623,0.00595855);(247.906244,0.03532595);(248.897795,0.00080792);(248.93651,0.00432685);(249.907048,0.00168016);(250.893977,0.01074518);(251.903027,0.00081767);(257.896583,0.00072245);(262.894895,0.0010534);(262.913541,0.01582216);(263.912258,0.00768392);(264.90893,0.12939939);(265.911017,0.00951389);(266.909654,0.02506359);(266.92417,0.00050489);(268.073468,0.00054772);(268.904787,0.00411411);(270.899452,0.00149768);(271.05983,1.0);(272.063123,0.16302904);(272.93665,0.00121022);(273.075858,0.16655277);(274.07895,0.02783409);(274.893657,0.00598488);(274.969114,0.00157342);(275.673421,0.00055286);(275.901578,0.01105184);(276.909188,0.00980786);(277.906516,0.0006489);(277.911133,0.00065073);(278.92485,0.00066448);(279.241572,0.00053054);(279.896119,0.00961992);(280.924114,0.01352429);(281.896043,0.00576776);(281.911205,0.00084613);(281.923238,0.00281684);(282.904307,0.00153682);(282.919275,0.1112387);(283.097649,0.00064349);(283.921856,0.0055727);(284.192622,0.00054489);(284.903352,0.00052788);(284.919971,0.02949885);(285.074996,0.00341238);(286.895424,0.00223373);(286.914987,0.01303832);(287.05477,0.00835353);(287.091099,0.00370352);(288.908905,0.03121416);(289.912175,0.00053428);(290.424372,0.00058386);(290.909056,0.00157985);(290.947167,0.01680963);(291.124591,0.00095958);(292.904653,0.00535681);(293.914059,0.00051888);(295.197549,0.00070166);(295.92755,0.00165729);(296.178018,0.00056448);(296.293406,0.0007495);(297.907143,0.00125204);(302.356426,0.00075547);(303.778253,0.00069668);(304.924088,0.01809013);(305.922793,0.01759784);(306.325047,0.00055221);(306.919455,0.17190231);(307.921837,0.01917501);(308.920147,0.02157712);(308.937384,0.00072387);(310.915282,0.00998745);(311.024704,0.00068466);(311.293841,0.00392345);(311.400329,0.00079941);(311.732197,0.00058773);(314.912936,0.00071761);(316.660938,0.00063698);(316.902842,0.00156205);(319.835682,0.0007476);(322.933953,0.00075374);(323.933382,0.00144917);(324.929835,0.03659007);(325.932928,0.00079112);(326.930245,0.00651366);(327.930515,0.00062078);(333.114436,0.00071462);(333.151219,0.00092705);(334.08184,0.00064893);(335.166178,0.00470288);(336.838582,0.00196445);(337.181255,0.00129876);(342.990013,0.00063331);(345.005022,0.00715112);(346.008699,0.00059896);(350.946887,0.00153603);(351.129689,0.00079353);(351.183279,0.00063279);(353.841548,0.00071956);(355.193378,0.00101343);(357.209891,0.00057667);(360.838268,0.01289112);(361.839707,0.00074131);(363.016125,0.00075742);(366.410182,0.00059362);(369.837051,0.00489476);(378.849188,0.00154765);(387.847404,0.00070643);(393.316727,0.00056307);(406.018956,0.0005401);(406.846426,0.00073999);(426.914566,0.00064097);(429.318,0.00302648);(437.23566,0.00524239);(439.354948,0.00075885)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.947865,0.00112274);(51.940701,0.00256313);(52.193748,0.00084064);(52.593041,0.000908);(53.631544,0.00089589);(54.988071,0.0009859);(55.018552,0.00209107);(55.054965,0.00787245);(55.496166,0.0008958);(55.666623,0.00089051);(55.805584,0.00077758);(55.935129,0.01823554);(55.956994,0.00091017);(56.940662,0.0008712);(56.942967,0.00215452);(56.965502,0.02076055);(57.070582,0.0157069);(57.93555,0.0029601);(57.956716,0.00087286);(58.524643,0.00104858);(59.061077,0.04286029);(60.045124,0.00084294);(61.011348,0.21018982);(61.407885,0.00085281);(62.014594,0.00130799);(62.019161,0.02000872);(63.007082,0.00385155);(63.026946,0.00094991);(63.966231,0.00094511);(63.998525,0.00088056);(64.208143,0.00096899);(64.496646,0.00090391);(65.039406,0.00085239);(67.01853,0.065227);(67.054863,0.01073129);(67.201802,0.00096471);(68.923751,0.00100249);(68.94336,0.00213833);(68.997741,0.03220359);(69.034115,0.01098556);(69.070464,0.0037816);(70.958482,0.06524949);(71.0862,0.00184131);(71.92996,0.00240969);(72.034823,0.00091892);(72.178285,0.00104939);(72.93773,0.05408625);(73.047439,0.00402188);(73.496239,0.00072423);(74.028916,0.00078595);(79.021824,0.03212605);(79.054725,0.00178941);(81.033974,0.0069552);(81.070403,0.00606247);(83.398444,0.00089795);(84.177035,0.00086952);(85.02893,0.00948169);(85.188226,0.0009336);(88.061438,0.00094746);(88.272046,0.000926);(88.503184,0.0008761);(88.968912,0.01155283);(89.587797,0.00107627);(89.940368,0.00374941);(90.120533,0.00089852);(90.948135,0.03276046);(91.054715,0.07443324);(91.057752,0.01268278);(92.878655,0.00086443);(93.197624,0.00106793);(95.049523,0.01687969);(95.085822,0.00370113);(95.987557,0.00088893);(97.0287,0.00704967);(98.975687,0.09947769);(99.45021,0.00123426);(102.914191,0.00082272);(102.948232,0.00233843);(105.033832,0.00094996);(105.070229,0.00105201);(105.282044,0.00092733);(106.700121,0.00080764);(107.049403,0.01878352);(107.979043,0.00098339);(108.958583,0.00163676);(109.152528,0.00082354);(109.248122,0.00093744);(111.00777,0.0031262);(112.199168,0.00097612);(113.697012,0.00094976);(115.604364,0.0009544);(116.963671,0.00400553);(116.986086,0.08433749);(117.161382,0.00102842);(117.1849,0.00123404);(117.211854,0.00078575);(118.94273,0.00114076);(119.049285,0.25704265);(120.052695,0.02041664);(120.940601,0.01026031);(121.028517,0.04455413);(121.064927,0.00134009);(122.997387,0.00088901);(123.044159,0.02396448);(125.023248,0.00136059);(127.038807,0.00100915);(128.933556,0.00098674);(128.963595,0.00806815);(129.018185,0.00697168);(130.979367,0.00686639);(131.00082,0.00189971);(131.445159,0.00105194);(131.96128,0.003075);(132.958254,0.04779175);(133.064568,0.00682578);(133.94837,0.00204873);(134.9561,0.02899988);(134.996474,0.02807746);(136.878995,0.00133761);(136.935568,0.00094298);(138.069567,0.00096753);(138.951051,0.00273477);(139.147226,0.00077753);(141.800046,0.00100106);(142.979042,0.00129508);(145.028408,0.0279129);(145.373985,0.0012378);(146.974324,0.03985301);(147.037926,0.00314511);(147.043973,0.2244128);(147.513348,0.00101735);(147.97443,0.00254402);(148.047165,0.02080545);(148.564701,0.00108476);(148.971779,0.15078087);(149.960437,0.00111029);(149.971909,0.01355781);(150.950988,0.03656754);(150.96867,0.08134109);(151.038459,0.00119558);(152.951286,0.00241728);(152.966552,0.014549);(153.018143,0.98531557);(153.95898,0.01506204);(154.021476,0.07598475);(155.022267,0.00229035);(155.060118,0.00103182);(155.954481,0.00153349);(158.97366,0.00115422);(160.535614,0.0009018);(161.059747,0.00447315);(162.969095,0.00117648);(163.038822,0.02480035);(165.017989,0.00436592);(166.92693,0.00101334);(166.982288,0.03605065);(168.96152,0.00891389);(170.962222,0.00121006);(171.028552,0.06508878);(172.032141,0.00118829);(175.598659,0.00100514);(177.938175,0.00758898);(178.414479,0.00086051);(180.626847,0.00121577);(180.887865,0.03186061);(185.948676,0.00099334);(187.039183,0.00310182);(187.663108,0.00111073);(188.915385,0.00125721);(192.961589,0.01380639);(195.776185,0.00122437);(195.948541,0.01241611);(197.059008,0.00093394);(199.014867,0.00100644);(199.535951,0.00118534);(203.070196,0.0012341);(204.888171,0.0044128);(205.622535,0.00113098);(206.92603,0.00568107);(207.150728,0.00110216);(207.875467,0.00099859);(207.885717,0.00106165);(208.136849,0.00107433);(208.883811,0.00250449);(209.891211,0.00381099);(210.972017,0.00422706);(214.893189,0.00262898);(215.564454,0.00120563);(215.900851,0.00125898);(218.718283,0.00084867);(220.43338,0.00261027);(220.438316,0.0021631);(220.449985,0.00292349);(220.460058,0.00248425);(220.903177,0.03190355);(221.901645,0.0141546);(222.898501,0.27309953);(223.899728,0.00824339);(224.877473,0.00094843);(224.899063,0.02072851);(225.054257,0.00665373);(225.886043,0.00632917);(226.893713,0.00305031);(226.963518,0.03158599);(227.900486,0.00785119);(229.049103,0.00572295);(229.895773,0.0998284);(230.896625,0.00241873);(231.895456,0.00244128);(233.891258,0.01204793);(234.899058,0.00561478);(236.914091,0.00110187);(237.921884,0.00101403);(238.913594,0.06556088);(239.886312,0.00724672);(239.912726,0.02569189);(240.908981,0.54000092);(241.910531,0.02848622);(242.056317,0.00248094);(242.909401,0.08041928);(243.065168,0.01698464);(243.907715,0.00106818);(244.905073,0.02510592);(244.973957,0.02788672);(245.910834,0.00268415);(246.717418,0.00092259);(247.906331,0.090872);(248.878388,0.00347568);(248.907484,0.00314105);(249.907145,0.00330022);(250.894026,0.00379968);(252.949416,0.00491934);(254.924946,0.00327676);(256.510996,0.00118875);(257.169309,0.00102038);(257.896632,0.00560909);(259.984485,0.00096685);(261.885966,0.00095808);(262.894412,0.00100077);(262.913697,0.00193459);(264.908956,0.03483338);(265.911594,0.00077739);(266.909205,0.00113189);(270.053244,0.00131044);(271.059744,1.0);(271.398471,0.0010657);(272.063148,0.16954629);(273.065306,0.01486428);(275.901522,0.00119287);(278.899834,0.00234938);(279.088959,0.00085804);(279.896111,0.02618104);(281.896324,0.01162003);(282.919448,0.03043303);(283.892939,0.00115585);(284.919459,0.00378565);(287.34654,0.00121411);(297.90709,0.00530519);(306.497724,0.0010534);(312.837555,0.00444267);(327.82544,0.0071589);(344.828502,0.00681561);(352.914072,0.00084585);(369.83583,0.00192047);(371.101773,0.00114709);(376.171518,0.00122005);(399.170072,0.0023648);(419.455969,0.00110545)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(119.047,0.014);(147.043,0.121);(153.003,0.012);(153.019,0.348);(154.019,0.029);(273.076,1.0);(274.05,0.01);(274.067,0.03);(274.081,0.102);(275.076,0.028);(285.065,0.01);(435.128,0.029);(435.144,0.026)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(273.075,1.0);(274.037,0.012);(274.08,0.13);(274.092,0.029);(275.082,0.031);(434.129,0.01);(435.127,0.288)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(119.052,0.018);(121.074,0.011);(123.047,0.01);(147.024,0.013);(147.037,0.095);(147.046,0.252);(148.045,0.041);(153.002,0.035);(153.018,0.725);(154.02,0.071);(179.037,0.029);(193.856,0.014);(199.081,0.011);(273.075,1.0);(274.079,0.148);(274.093,0.027);(275.07,0.01)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(67.018,0.046);(69.001,0.014);(71.511,0.01);(81.033,0.013);(91.056,0.057);(91.064,0.013);(93.07,0.015);(95.047,0.031);(95.053,0.011);(97.025,0.044);(97.033,0.019);(107.045,0.013);(110.028,0.014);(111.05,0.01);(119.047,0.027);(119.051,0.076);(119.306,0.01);(120.042,0.017);(121.065,0.017);(123.043,0.045);(141.066,0.01);(147.041,0.216);(147.052,0.038);(148.048,0.072);(153.017,1.0);(154.017,0.068);(154.027,0.012);(157.038,0.012);(165.019,0.011);(179.023,0.017);(189.068,0.015)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(107.049,0.01);(147.006,0.011);(147.035,0.023);(147.042,0.078);(152.995,0.021);(153.018,0.261);(272.075,0.01);(273.077,1.0);(274.049,0.014);(274.077,0.158);(287.028,0.013);(399.102,0.012);(435.093,0.018);(435.114,0.021);(435.132,0.054)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(273.028,0.012);(273.047,0.019);(273.076,1.0);(274.079,0.092);(275.09,0.028);(417.118,0.012);(435.128,0.321)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(97.025,0.018);(107.045,0.014);(119.054,0.017);(123.043,0.014);(147.044,0.522);(148.051,0.079);(149.037,0.027);(149.05,0.015);(153.018,0.538);(154.009,0.014);(154.019,0.013);(154.404,0.012);(154.723,0.02);(155.023,0.017);(163.069,0.012);(165.013,0.014);(167.027,0.016);(168.218,0.013);(172.756,0.014);(193.833,0.012);(207.022,0.015);(214.878,0.021);(231.025,0.014);(231.069,0.01);(255.055,0.016);(261.041,0.015);(273.023,0.012);(273.075,1.0);(273.101,0.033);(273.288,0.013);(273.341,0.01);(274.044,0.019);(274.071,0.085);(274.083,0.052);(274.47,0.011);(275.083,0.015);(275.094,0.011);(275.752,0.013);(276.861,0.01);(292.049,0.03);(301.972,0.019);(352.084,0.011);(377.06,0.011)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(67.009,0.018);(67.017,0.015);(91.035,0.03);(91.052,0.015);(91.057,0.048);(111.003,0.055);(119.051,0.155);(121.067,0.03);(123.043,0.03);(125.021,0.023);(147.029,0.038);(147.044,0.268);(149.144,0.018);(153.019,1.0);(154.011,0.026);(154.027,0.027);(156.023,0.048);(165.009,0.022);(213.78,0.051)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(119.051,0.022);(147.042,0.019);(147.048,0.023);(148.046,0.019);(151.046,0.018);(153.018,0.163);(179.021,0.016);(273.075,1.0);(274.075,0.12);(274.089,0.067);(275.069,0.028);(275.084,0.018);(369.084,0.01);(435.115,0.014)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(273.076,1.0);(274.079,0.194);(343.05,0.01);(347.035,0.01);(435.124,0.181);(435.141,0.077)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(85.022,0.014);(85.034,0.011);(114.719,0.01);(128.04,0.015);(147.044,0.283);(148.048,0.011);(149.046,0.015);(150.38,0.011);(152.986,0.01);(153.0,0.022);(153.013,0.16);(153.02,0.392);(154.025,0.031);(161.07,0.012);(163.075,0.012);(179.043,0.037);(187.629,0.016);(189.05,0.02);(189.061,0.015);(231.059,0.017);(231.071,0.012);(273.076,1.0);(274.043,0.011);(274.07,0.024);(274.086,0.083);(275.079,0.041);(276.1,0.019)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(85.027,0.02);(91.043,0.024);(91.049,0.015);(91.056,0.018);(95.036,0.016);(95.05,0.023);(107.045,0.02);(119.051,0.214);(123.046,0.016);(147.041,0.22);(147.05,0.066);(148.05,0.048);(153.018,1.0);(154.03,0.043);(157.064,0.018);(177.022,0.016);(179.314,0.018);(195.035,0.013)
LC-MS/MS	ESI- LC-Q-TOF/MS	Positive	low	View Spectrum	(91.0547,0.035);(119.0502,0.093);(123.045,0.023);(147.0451,0.279);(153.0193,0.652);(273.0759,0.999);(435.1291,0.021)
LC-MS/MS	ESI- LC-Q-TOF/MS	Negative	low	View Spectrum	(65.0047,0.032);(83.0148,0.034);(93.0355,0.05);(107.0144,0.104);(119.0503,0.327);(151.0035,0.389);(177.0194,0.047);(271.0612,0.999);(433.1135,0.075)

Food Sources

	Name	Group
	Tomato	Vegetables, Fruit vegetables	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 Naringenin-7-glucoside