PhytoHub: Showing entry for Orientin

Orientin

Identification

PhytoHub ID

PHUB002532

Name

Orientin

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

28608-75-5

Average Mass

448.38

Monoisotopic Mass

448.100561464

Chemical Formula

C₂₁H₂₀O₁₁

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

InChI Key

PLAPMLGJVGLZOV-VPRICQMDSA-N

InChI Identifier

InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C(O)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.18e+00 g/l
LogS (ALOGPS): -2.31
LogP (ALOGPS): 0.34
Hydrogen Acceptors: 11
Hydrogen Donors: 8
Rotatable Bond Count: 3
Polar Surface Area: 197.36999999999998
Refractivity: 108.01310000000002
Polarizability: 42.34627689238468
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -2.9791926292654134
pKa (strongest acidic): 6.172660635500586
Number of Rings: 4
Rule of Five: No
Bioavailability: No
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 7781
PubChem: 5281675

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavones

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(297.0426,0.1971972);(298.0443,0.05305305);(325.0385,0.17717718);(327.0523,0.47947948);(328.0547,0.08208208);(357.0633,0.2032032);(369.0685,0.05205205);(417.0822,0.14514515);(445.0793,1.0);(446.0825,0.31531532);(447.0935,0.36236236);(448.0925,0.05905906)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(445.0799,1.0);(446.0822,0.25125125);(447.0937,0.6026026);(448.0959,0.13713714)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(269.0455,0.15015015);(297.0411,0.98198198);(298.0457,0.23023023);(299.0571,0.17717718);(313.037,0.09409409);(325.0363,0.40940941);(326.0389,0.13513514);(327.0514,1.0);(328.0557,0.13313313);(357.064,0.24324324);(417.0845,0.26826827);(418.0873,0.11811812);(445.078,0.22122122);(446.0826,0.08208208)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(133.0292,0.2032032);(225.0559,0.23223223);(227.0369,0.18918919);(268.0377,0.17117117);(269.0458,1.0);(270.0498,0.41141141);(284.0328,0.24024024);(285.0411,0.27227227);(297.0423,0.52352352);(298.0465,0.46746747);(299.0552,0.41141141);(327.0503,0.23223223)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(161.0226,0.08908909);(225.0583,0.06906907);(241.0517,0.07707708);(253.0523,0.09309309);(255.0357,0.09009009);(269.0464,0.43943944);(270.0514,0.13713714);(284.0354,0.16316316);(285.0428,0.12412412);(297.0403,1.0);(298.0472,0.27427427);(299.055,0.18818819);(311.0499,0.07407407);(313.0336,0.1001001);(325.0369,0.1001001);(327.0509,0.54454454);(328.0551,0.07507508);(357.0634,0.12012012);(417.0865,0.07407407)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(217.0492,0.01601602);(243.0287,0.02202202);(259.0607,0.01201201);(287.0556,0.02102102);(299.0554,0.26126126);(300.0597,0.05505506);(311.0551,0.04404404);(312.059,0.01001001);(313.0698,0.01301301);(323.0558,0.01501502);(327.0504,0.04004004);(328.056,0.01201201);(329.0663,1.0);(330.0698,0.18618619);(331.072,0.02602603);(339.0872,0.04404404);(341.0661,0.02802803);(353.0663,0.18518519);(354.0702,0.03603604);(359.0769,0.17517518);(360.0807,0.03603604);(365.0663,0.01601602);(367.0818,0.06706707);(368.0852,0.01301301);(371.0767,0.04704705);(372.0811,0.01201201);(383.077,0.19419419);(384.0807,0.04304304);(385.0863,0.01201201);(395.0769,0.15415415);(396.0811,0.03803804);(401.0878,0.01301301);(413.0876,0.59259259);(414.0913,0.14514515);(415.0939,0.02402402);(431.0984,0.4994995);(432.1018,0.11411411);(433.1038,0.02302302);(449.1085,0.31731732);(450.1125,0.07807808);(451.1148,0.01601602)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(135.0445,0.01201201);(137.0237,0.1021021);(153.0187,0.01101101);(161.0232,0.01101101);(165.0183,0.03703704);(179.0336,0.01101101);(195.0285,0.01101101);(203.0339,0.01101101);(217.0488,0.02602603);(229.0488,0.01801802);(241.049,0.01101101);(243.0286,0.03203203);(244.0725,0.01101101);(259.0596,0.04104104);(261.0391,0.01601602);(269.044,0.02202202);(270.051,0.01601602);(271.0595,0.03803804);(272.0671,0.07207207);(273.0718,0.01301301);(282.052,0.01101101);(283.0592,0.01201201);(284.0666,0.01201201);(286.0464,0.01501502);(287.0543,0.04804805);(299.0549,0.76976977);(300.0621,0.74074074);(301.0664,0.16216216);(302.0696,0.02402402);(311.0548,0.13013013);(312.0592,0.02802803);(313.0706,0.2952953);(314.0744,0.05805806);(323.0543,0.01101101);(324.0625,0.03603604);(325.0703,0.05405405);(326.0746,0.01101101);(327.0499,0.02002002);(329.0655,1.0);(330.0692,0.18918919);(331.0717,0.03003003);(337.0709,0.01201201);(339.0861,0.14914915);(340.0901,0.03103103);(341.0653,0.08308308);(342.0693,0.01601602);(343.0808,0.03303303);(353.0659,0.0950951);(354.0697,0.02102102);(355.0785,0.01301301);(359.0763,0.03603604);(365.0661,0.01201201);(367.081,0.02102102);(371.0766,0.01201201);(383.0761,0.01901902);(395.0755,0.02602603);(413.087,0.02002002)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(133.0292,0.1991992);(163.0398,0.08408408);(175.0388,0.08508509);(193.0133,0.0950951);(269.0455,0.22722723);(284.0325,0.40740741);(285.0393,0.23523524);(297.0403,0.56856857);(298.0476,0.52552553);(299.0552,0.85085085);(300.0588,0.14014014);(311.0555,0.14214214);(327.0504,1.0);(328.0543,0.1971972);(339.0515,0.0960961);(357.0613,0.08508509)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(285.0394,0.03003003);(297.0401,0.14614615);(298.0455,0.02902903);(299.0548,0.03003003);(325.0348,0.04004004);(327.0504,1.0);(328.0546,0.17917918);(329.0572,0.03103103);(339.0496,0.02702703);(357.0608,0.37737738);(357.159,0.02202202);(358.0643,0.1031031);(369.0609,0.04704705);(393.0618,0.02002002);(417.082,0.03103103);(445.0773,0.04604605);(446.0803,0.02402402);(447.0919,0.09309309);(448.0966,0.02902903)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(299.0546,0.01301301);(329.0657,0.11611612);(330.0693,0.02102102);(353.0651,0.01501502);(359.0759,0.01201201);(383.0765,0.01901902);(395.0765,0.01101101);(413.0869,0.06206206);(414.0904,0.01301301);(431.0975,0.17917918);(432.101,0.04304304);(447.0924,0.01601602);(449.1081,1.0);(450.1116,0.24124124);(451.1139,0.05105105)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(445.0781,0.07707708);(447.0932,1.0);(448.0965,0.30930931);(449.0995,0.05705706)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(327.05,0.53153153);(328.0537,0.11411411);(357.0605,0.21221221);(358.0638,0.04304304);(445.0766,0.12812813);(446.0806,0.04504505);(447.0917,1.0);(448.0957,0.22722723);(449.0982,0.04704705)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(137.0235,0.02202202);(217.049,0.02502503);(243.0288,0.03403403);(259.0599,0.02202202);(261.0391,0.01801802);(269.0443,0.01701702);(287.0544,0.02902903);(299.0548,0.5005005);(300.061,0.2002002);(301.0657,0.03403403);(311.055,0.06606607);(312.0585,0.01301301);(313.0706,0.10610611);(314.0739,0.02102102);(323.0554,0.01301301);(324.0616,0.01301301);(325.0699,0.01601602);(327.05,0.03903904);(328.0546,0.01201201);(329.0656,1.0);(330.0694,0.1991992);(331.0714,0.02902903);(339.0862,0.12512513);(340.09,0.02502503);(341.0656,0.06606607);(342.0693,0.01401401);(343.0803,0.03003003);(353.0656,0.14414414);(354.0694,0.03103103);(359.0761,0.11611612);(360.0801,0.02802803);(365.0656,0.01501502);(367.0814,0.05805806);(368.0851,0.01501502);(371.076,0.03403403);(383.0763,0.06906907);(384.0798,0.01501502);(385.0904,0.01401401);(395.0763,0.08308308);(396.0796,0.01801802);(413.0867,0.16616617);(414.0904,0.04004004);(431.0975,0.04304304)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(285.0397,0.08008008);(297.0401,0.3023023);(298.0462,0.14114114);(299.0556,0.26026026);(327.0509,1.0);(328.055,0.21321321);(339.0505,0.08208208);(357.061,0.27827828)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(447.0921,0.03303303);(448.0966,0.01201201);(449.108,1.0);(450.1118,0.24624625);(451.1141,0.04804805)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(137.01973,0.01601602);(165.02225,0.00700701);(177.04362,0.00600601);(203.02469,0.00500501);(215.03644,0.00900901);(217.03841,0.00800801);(217.04965,0.03603604);(217.06227,0.00500501);(218.05885,0.01001001);(219.02971,0.01001001);(233.0462,0.01701702);(235.06628,0.00700701);(241.05125,0.00800801);(243.03008,0.07607608);(243.04936,0.00500501);(254.87396,0.00700701);(259.05914,0.03003003);(286.04391,0.00600601);(287.04428,0.00600601);(287.0593,0.02002002);(290.05563,0.00500501);(296.07642,0.00500501);(299.00024,0.00900901);(299.02151,0.01901902);(299.05322,0.66666667);(300.03677,0.02002002);(300.05954,0.24824825);(301.06686,0.02202202);(311.02954,0.01401401);(311.04355,0.04404404);(311.05887,0.07207207);(312.05756,0.01001001);(313.05884,0.02602603);(313.07523,0.08108108);(323.05365,0.01101101);(324.05399,0.02202202);(324.08154,0.00700701);(325.04437,0.00700701);(325.05948,0.02902903);(325.07779,0.02402402);(327.04922,0.02602603);(328.04031,0.00900901);(328.06503,0.01001001);(328.93643,0.00500501);(329.00903,0.00600601);(329.06534,1.0);(330.05179,0.04204204);(330.06586,0.1001001);(330.08154,0.03603604);(331.06174,0.00700701);(331.07578,0.02302302);(338.07883,0.00700701);(339.02881,0.00800801);(339.05344,0.04104104);(339.09033,0.27527528);(340.08835,0.03303303);(341.03967,0.01001001);(341.06561,0.02802803);(342.05463,0.00700701);(343.04956,0.00500501);(343.06915,0.01101101);(343.08289,0.00600601);(343.0983,0.00700701);(352.05145,0.00700701);(353.01907,0.00500501);(353.03613,0.01601602);(353.06479,0.23723724);(354.06406,0.04604605);(354.08255,0.02502503);(355.0593,0.00800801);(355.08423,0.01901902);(358.06198,0.00700701);(359.07401,0.05605606);(359.09613,0.00600601);(360.06274,0.00600601);(360.08121,0.01001001);(365.04312,0.00700701);(366.07147,0.00600601);(367.05576,0.00700701);(367.07529,0.04804805);(367.08728,0.06006006);(367.10846,0.00500501);(368.06885,0.00700701);(368.08511,0.01601602);(369.06714,0.00500501);(371.07144,0.02702703);(371.0921,0.00700701);(372.08551,0.00800801);(383.03674,0.00700701);(383.06839,0.06306306);(383.08536,0.06506507);(384.05896,0.00800801);(384.0802,0.01301301);(385.07242,0.00700701);(395.06924,0.06306306);(395.09674,0.02002002);(396.05499,0.00600601);(396.07614,0.01001001);(396.1019,0.00500501);(413.06128,0.01401401);(413.07892,0.06206206);(413.09644,0.07107107);(413.23679,0.00900901);(414.03607,0.00900901);(414.0827,0.02002002);(414.09473,0.04104104);(414.11176,0.00600601);(431.07022,0.00800801);(431.09033,0.03203203);(431.37524,0.00700701);(432.12256,0.00600601)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(50.13616,0.01601602);(69.01443,0.03003003);(69.03086,0.01101101);(69.70889,0.01101101);(79.01461,0.05905906);(80.01714,0.01101101);(81.03362,0.01901902);(81.03809,0.01101101);(81.07134,0.01001001);(81.36824,0.01001001);(82.03775,0.02402402);(82.76203,0.01001001);(85.02856,0.04004004);(89.03665,0.02402402);(89.04791,0.01301301);(93.03047,0.01001001);(95.00308,0.01301301);(95.01267,0.02402402);(97.02572,0.02002002);(97.03167,0.01001001);(105.0266,0.01201201);(109.02657,0.06206206);(109.03918,0.02202202);(110.02927,0.01301301);(110.0361,0.01301301);(110.0423,0.01101101);(111.0114,0.01901902);(111.04341,0.03703704);(117.02915,0.01901902);(117.04031,0.01801802);(121.0271,0.03303303);(122.03056,0.01201201);(122.99595,0.02102102);(123.00544,0.03903904);(123.04283,0.03103103);(124.00682,0.01101101);(125.02025,0.02702703);(125.02856,0.01801802);(126.03217,0.01601602);(129.03188,0.01401401);(129.07707,0.02002002);(130.03848,0.01601602);(131.01645,0.01101101);(131.04318,0.03703704);(132.56097,0.01001001);(133.03014,0.02802803);(134.03757,0.01201201);(135.03592,0.03403403);(135.04388,0.04904905);(135.04993,0.08008008);(136.01335,0.01101101);(136.04141,0.01301301);(136.0499,0.12012012);(136.5788,0.01001001);(136.96632,0.01001001);(136.99916,0.03903904);(137.0071,0.04804805);(137.02136,0.66466466);(137.03059,0.07307307);(137.05339,0.02502503);(138.02742,0.12112112);(138.03433,0.06806807);(138.3642,0.01101101);(139.02461,0.02802803);(139.03319,0.01901902);(139.66971,0.01001001);(141.06956,0.05305305);(141.21178,0.01701702);(142.07143,0.01001001);(143.00945,0.01201201);(143.03883,0.02502503);(144.01796,0.01601602);(144.05258,0.03403403);(144.12227,0.01301301);(145.01248,0.01001001);(145.02545,0.01101101);(146.04619,0.01701702);(147.0488,0.01601602);(149.01768,0.01901902);(149.02551,0.06906907);(150.02129,0.01201201);(151.03606,0.01401401);(151.04706,0.01201201);(152.04701,0.02102102);(152.05902,0.02002002);(153.00276,0.01901902);(157.05704,0.01001001);(157.07158,0.01101101);(159.04202,0.03903904);(160.07614,0.01501502);(160.96808,0.01101101);(161.00174,0.01501502);(161.01607,0.07107107);(161.02402,0.11811812);(161.06213,0.03003003);(162.06,0.01301301);(162.8607,0.02402402);(163.02036,0.02002002);(163.03345,0.04804805);(163.04207,0.03803804);(164.03377,0.01101101);(164.18408,0.02102102);(165.01663,0.26026026);(165.05693,0.01601602);(165.85474,0.01001001);(166.02567,0.04804805);(166.03215,0.01601602);(167.03052,0.01001001);(167.04456,0.01701702);(167.09291,0.01801802);(168.91875,0.01501502);(169.06563,0.01901902);(171.03391,0.01601602);(171.045,0.02602603);(172.04408,0.01301301);(172.05215,0.02502503);(173.05856,0.02402402);(173.12088,0.01101101);(174.03252,0.01001001);(174.99973,0.01601602);(175.02594,0.01001001);(175.03612,0.02502503);(175.04298,0.01101101);(176.9959,0.02002002);(177.01163,0.05005005);(177.02011,0.02902903);(177.05457,0.01901902);(177.99593,0.01501502);(178.03621,0.01001001);(178.06526,0.04504505);(179.02553,0.03703704);(179.03615,0.11811812);(181.05705,0.01301301);(183.04538,0.01501502);(183.07886,0.01901902);(184.05321,0.01701702);(185.02745,0.01601602);(185.06075,0.01901902);(187.01726,0.01301301);(187.03601,0.07307307);(187.04369,0.03503504);(187.07933,0.01701702);(188.05118,0.01501502);(188.07368,0.02502503);(189.02895,0.02202202);(189.04216,0.01601602);(189.05042,0.01601602);(189.06219,0.02502503);(191.03072,0.05805806);(191.03917,0.01601602);(192.04593,0.04204204);(193.04213,0.01301301);(194.0784,0.01201201);(195.07254,0.01001001);(196.05046,0.02202202);(197.05515,0.04704705);(197.06886,0.01701702);(198.06691,0.01501502);(198.08105,0.04404404);(198.14102,0.02402402);(199.03191,0.01601602);(199.07324,0.01701702);(200.06123,0.01701702);(201.02089,0.01101101);(201.05296,0.02502503);(201.86603,0.01101101);(202.08984,0.01201201);(203.0217,0.01301301);(203.03279,0.04304304);(203.04156,0.05705706);(204.03761,0.01201201);(204.99458,0.01601602);(205.04301,0.01301301);(205.06068,0.03803804);(206.61606,0.01601602);(207.0271,0.02202202);(207.04456,0.01101101);(208.03459,0.01801802);(209.0741,0.01401401);(209.09753,0.01301301);(210.07349,0.01201201);(211.02649,0.01101101);(211.04056,0.02602603);(212.0809,0.01901902);(213.05161,0.04404404);(213.06007,0.07107107);(214.06293,0.02602603);(215.03323,0.01801802);(215.04626,0.04404404);(215.07034,0.01001001);(216.07719,0.01101101);(217.01317,0.01301301);(217.04436,0.02902903);(217.0517,0.02902903);(218.04831,0.01501502);(222.05655,0.01501502);(224.07526,0.01001001);(225.05455,0.01401401);(225.99457,0.01201201);(226.05214,0.02902903);(226.06129,0.02502503);(226.07655,0.03203203);(226.47046,0.02202202);(227.05269,0.02202202);(227.06165,0.06106106);(227.07254,0.18118118);(227.88028,0.01101101);(229.00674,0.01201201);(229.04816,0.19319319);(229.05862,0.11911912);(229.21042,0.01201201);(230.05296,0.03003003);(230.06009,0.02602603);(233.0484,0.01601602);(233.12393,0.01101101);(235.02515,0.01501502);(236.03949,0.01201201);(236.05457,0.01101101);(237.04388,0.03703704);(237.05006,0.01601602);(237.06262,0.01401401);(239.0347,0.01301301);(240.04175,0.01201201);(240.07983,0.01301301);(243.02525,0.07507508);(243.06972,0.17817818);(244.03355,0.01101101);(244.06544,0.02502503);(244.07472,0.05405405);(245.04083,0.01301301);(245.08412,0.04004004);(246.06998,0.01001001);(246.92015,0.01401401);(247.03557,0.01001001);(250.05983,0.04604605);(252.29547,0.01301301);(253.02014,0.01401401);(253.04904,0.01701702);(254.06039,0.01701702);(254.07103,0.05305305);(254.33606,0.01001001);(255.04886,0.01001001);(255.06595,0.02602603);(255.07896,0.01601602);(256.05673,0.02002002);(257.04404,0.07307307);(257.06628,0.01301301);(258.03848,0.01601602);(258.05243,0.04404404);(259.05893,0.02402402);(259.06729,0.06906907);(263.04843,0.02602603);(265.04977,0.03103103);(265.08627,0.01501502);(266.05341,0.01101101);(269.04785,0.02002002);(270.05557,0.01901902);(270.07013,0.02202202);(271.02814,0.03003003);(271.05942,0.62862863);(271.08389,0.02902903);(272.03174,0.04304304);(272.06332,0.39439439);(272.07623,0.15615616);(273.02774,0.01201201);(273.07022,0.0990991);(273.08057,0.08808809);(273.17606,0.01101101);(279.06277,0.03003003);(279.07404,0.02702703);(281.05008,0.03203203);(282.03821,0.02002002);(282.05087,0.07607608);(282.0697,0.01901902);(283.05441,0.07107107);(284.05499,0.01501502);(284.07358,0.02902903);(285.11005,0.01001001);(286.03046,0.01701702);(286.05804,0.03503504);(287.0101,0.02902903);(287.05179,0.07107107);(287.0668,0.04504505);(293.06189,0.02002002);(294.07803,0.01501502);(295.03143,0.01201201);(295.04971,0.05705706);(295.06262,0.04904905);(295.07608,0.03203203);(296.05133,0.02502503);(296.06253,0.03103103);(296.07953,0.01101101);(296.14526,0.01601602);(297.05942,0.01101101);(298.86765,0.01101101);(299.02478,0.06106106);(299.05463,0.98798799);(299.07919,0.02202202);(299.77435,0.01201201);(300.03162,0.01301301);(300.06403,1.0);(301.06757,0.3003003);(301.08063,0.07907908);(301.17178,0.02102102);(302.06473,0.04304304);(302.08005,0.04004004);(303.54239,0.01001001);(307.05222,0.01001001);(309.06784,0.03003003);(309.08878,0.01901902);(311.02765,0.03703704);(311.05377,0.26026026);(311.0657,0.11811812);(312.01938,0.01001001);(312.05844,0.07307307);(312.95004,0.02602603);(313.02374,0.02102102);(313.05118,0.05305305);(313.06699,0.26526527);(313.0809,0.20520521);(313.27408,0.01601602);(314.07407,0.05005005);(314.08493,0.01601602);(315.06778,0.02502503);(318.24057,0.01101101);(320.08807,0.01101101);(321.04077,0.01101101);(321.06351,0.01101101);(323.03006,0.01001001);(323.0546,0.03703704);(323.06479,0.01201201);(324.06134,0.0980981);(325.06097,0.07107107);(325.07111,0.16716717);(326.07227,0.01001001);(327.05569,0.01401401);(329.06879,0.18818819);(329.0867,0.01601602);(330.06613,0.01601602);(331.07214,0.01201201);(337.0484,0.01101101);(337.0766,0.04004004);(337.0961,0.01001001);(339.06503,0.01701702);(339.08286,0.0970971);(339.10287,0.01301301);(340.06393,0.02202202);(340.09052,0.02002002);(341.05719,0.02002002);(351.03329,0.01101101);(351.05145,0.02302302);(353.06076,0.02202202)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(136.99355,0.00700701);(137.02298,0.04204204);(192.03568,0.00800801);(192.04523,0.00600601);(201.01746,0.00900901);(207.07448,0.00500501);(217.04877,0.05305305);(217.05611,0.02502503);(218.05688,0.00700701);(229.0448,0.00600601);(233.04817,0.00700701);(243.0304,0.05005005);(244.02846,0.01101101);(259.06351,0.02002002);(259.07425,0.00900901);(261.02914,0.00600601);(261.04211,0.01301301);(262.06094,0.00700701);(271.06219,0.01601602);(272.0683,0.00800801);(281.04617,0.00500501);(287.05099,0.03103103);(287.06046,0.03503504);(288.05179,0.00600601);(288.06357,0.00500501);(296.04224,0.00700701);(297.06732,0.00700701);(298.97229,0.00700701);(299.00763,0.01001001);(299.05481,0.77877878);(300.06009,0.26626627);(301.03275,0.00800801);(301.06876,0.02302302);(302.05865,0.00700701);(311.01813,0.00700701);(311.05493,0.14414414);(311.08368,0.00500501);(312.04303,0.01101101);(312.06009,0.02402402);(313.04605,0.00600601);(313.0687,0.12212212);(314.06604,0.00700701);(314.07843,0.01101101);(323.05823,0.02002002);(324.04816,0.01201201);(324.06726,0.03803804);(325.06738,0.04704705);(326.06436,0.01801802);(327.05029,0.05905906);(329.01059,0.00600601);(329.0282,0.01301301);(329.06604,1.0);(330.03168,0.00600601);(330.06976,0.22222222);(331.07202,0.03503504);(339.01611,0.01101101);(339.04651,0.03003003);(339.08755,0.30530531);(340.06732,0.00800801);(340.08759,0.06806807);(340.10602,0.00900901);(341.02771,0.00800801);(341.04855,0.01201201);(341.05963,0.03303303);(341.07294,0.04804805);(342.0704,0.02102102);(343.06781,0.01301301);(343.08124,0.02902903);(344.08017,0.01101101);(348.06143,0.00800801);(351.08801,0.00700701);(352.06335,0.01001001);(352.92719,0.00500501);(353.01642,0.00600601);(353.06433,0.2972973);(354.06467,0.02802803);(354.07553,0.02702703);(355.07959,0.00800801);(359.06204,0.01601602);(359.08331,0.03803804);(360.07281,0.01101101);(360.09012,0.00500501);(366.07925,0.01801802);(366.08926,0.00600601);(367.07889,0.0960961);(367.10843,0.01001001);(368.09116,0.01801802);(371.04056,0.00700701);(371.06006,0.00700701);(371.07938,0.02402402);(378.0686,0.00800801);(383.01794,0.01301301);(383.05115,0.02802803);(383.07941,0.1031031);(384.01508,0.00700701);(384.07129,0.02002002);(384.08875,0.01501502);(384.10312,0.00500501);(385.07281,0.00500501);(385.10938,0.00600601);(395.01224,0.00500501);(395.06287,0.04104104);(395.07767,0.11011011);(396.07059,0.01201201);(397.08902,0.00600601);(413.02316,0.00900901);(413.0871,0.17017017);(414.0863,0.02902903);(414.10229,0.01101101);(431.07535,0.00900901);(431.09598,0.01001001);(431.10861,0.02702703);(432.09604,0.01201201);(449.10938,0.00700701)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(109.02797,0.00500501);(163.03862,0.00500501);(165.0164,0.01301301);(217.04906,0.01201201);(227.05296,0.00600601);(229.05177,0.00600601);(243.03329,0.01401401);(259.06244,0.01501502);(271.05655,0.01301301);(272.05789,0.00500501);(272.06659,0.00500501);(273.07373,0.00900901);(287.05048,0.01801802);(289.06866,0.00600601);(299.05374,0.2042042);(299.08932,0.00600601);(300.03012,0.00600601);(300.05801,0.10610611);(301.06485,0.01201201);(302.07074,0.01301301);(311.05783,0.06806807);(312.05743,0.00700701);(313.05731,0.01201201);(313.07181,0.03703704);(314.06885,0.00800801);(324.05692,0.01001001);(327.03741,0.01601602);(327.05179,0.01001001);(329.02567,0.00600601);(329.06601,0.31531532);(330.04919,0.01201201);(330.06744,0.05605606);(330.07877,0.02602603);(331.06372,0.01301301);(331.09207,0.00500501);(339.03809,0.00900901);(339.05563,0.00900901);(339.08289,0.02402402);(339.09421,0.00800801);(340.09451,0.02002002);(341.0741,0.02302302);(341.10654,0.01101101);(343.08975,0.00600601);(353.06259,0.06806807);(353.07916,0.01301301);(354.07129,0.02002002);(359.07016,0.00900901);(367.07309,0.02802803);(367.08575,0.03203203);(371.07996,0.01201201);(373.18845,0.00500501);(383.07501,0.08608609);(384.07501,0.02002002);(395.06448,0.02202202);(395.08014,0.03503504);(396.07855,0.01401401);(413.04071,0.00500501);(413.06705,0.01901902);(413.08832,0.1041041);(414.07404,0.00900901);(414.09244,0.02402402);(415.08484,0.01101101);(415.10867,0.01001001);(431.06842,0.01601602);(431.09573,0.16916917);(432.0451,0.00600601);(432.07962,0.00800801);(432.10895,0.04304304);(449.01895,0.00500501);(449.04614,0.01101101);(449.10574,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.02814,0.00500501);(137.01872,0.00500501);(137.02779,0.01401401);(138.01727,0.00600601);(176.07877,0.00600601);(177.05376,0.00500501);(217.03697,0.00900901);(217.04626,0.04404404);(217.06628,0.00700701);(219.02397,0.01101101);(229.04805,0.00600601);(231.03558,0.00500501);(231.0574,0.00500501);(236.07047,0.00600601);(243.0284,0.05005005);(244.03795,0.02102102);(259.0607,0.03003003);(260.07022,0.00800801);(261.0332,0.00700701);(272.05737,0.00900901);(283.05801,0.00600601);(287.04416,0.02402402);(287.05734,0.02202202);(288.052,0.00600601);(297.07516,0.00500501);(297.08493,0.00700701);(298.5976,0.00800801);(298.99384,0.01001001);(299.00818,0.01501502);(299.05481,0.72972973);(300.05939,0.17717718);(300.07382,0.04904905);(301.05432,0.02302302);(301.06754,0.05305305);(311.0538,0.12212212);(312.04727,0.01001001);(312.06247,0.00900901);(312.07498,0.00500501);(313.0712,0.12512513);(314.06601,0.00500501);(314.07834,0.01901902);(323.05551,0.00600601);(324.06833,0.03503504);(325.05725,0.00700701);(325.07269,0.02702703);(327.03122,0.01001001);(327.04263,0.03403403);(327.07584,0.01301301);(328.08975,0.00900901);(328.98453,0.00700701);(329.01181,0.02002002);(329.06512,1.0);(330.00824,0.00600601);(330.03912,0.00800801);(330.06793,0.1981982);(331.02713,0.00600601);(331.07605,0.02502503);(337.06348,0.00700701);(339.04211,0.03303303);(339.08417,0.28228228);(340.04462,0.00600601);(340.0607,0.02502503);(340.08719,0.03603604);(341.06393,0.05605606);(341.07748,0.02902903);(342.06717,0.00600601);(343.06589,0.01501502);(343.08795,0.01001001);(344.08276,0.00600601);(349.31226,0.00700701);(351.05032,0.00700701);(351.08078,0.01001001);(351.09766,0.01001001);(353.06506,0.3013013);(354.06815,0.05205205);(354.09045,0.00800801);(355.07666,0.01301301);(359.07211,0.1001001);(359.09494,0.00900901);(360.07117,0.01801802);(360.08511,0.01201201);(365.06885,0.03403403);(366.07016,0.01001001);(367.0737,0.03403403);(367.08691,0.05605606);(368.0658,0.00600601);(368.08038,0.02202202);(368.09708,0.01001001);(368.95721,0.00500501);(369.08994,0.00600601);(371.0748,0.01301301);(377.05817,0.00600601);(378.06241,0.00600601);(383.0256,0.00600601);(383.07538,0.12912913);(384.06522,0.00800801);(384.08215,0.02002002);(387.08859,0.00500501);(395.05582,0.02102102);(395.07751,0.08008008);(396.07025,0.01201201);(396.08621,0.00900901);(397.08762,0.00800801);(404.65979,0.00500501);(413.02621,0.00600601);(413.0824,0.18118118);(414.08859,0.04404404);(415.08029,0.00500501);(431.06979,0.00800801);(431.08316,0.02402402);(431.10278,0.01701702);(432.09085,0.00700701)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(137.02148,0.01201201);(161.02472,0.00700701);(189.06064,0.00500501);(205.04752,0.00800801);(217.0472,0.01901902);(243.03615,0.00500501);(259.06061,0.01701702);(261.0419,0.01101101);(271.06284,0.01701702);(272.06921,0.02702703);(283.05048,0.00500501);(286.04453,0.01001001);(287.03821,0.01101101);(287.05554,0.00900901);(287.06439,0.00900901);(299.02206,0.00700701);(299.05615,0.21521522);(300.03339,0.00600601);(300.04797,0.03203203);(300.06424,0.11511512);(301.06467,0.04604605);(311.05344,0.04704705);(313.03217,0.00700701);(313.04443,0.00800801);(313.06433,0.01301301);(313.07654,0.02802803);(314.07211,0.00800801);(325.06464,0.00800801);(327.04318,0.00900901);(327.05829,0.01101101);(329.01559,0.00600601);(329.06546,0.33333333);(330.03156,0.01001001);(330.05795,0.03803804);(330.0723,0.03703704);(331.06998,0.00900901);(339.05164,0.01101101);(339.07883,0.03103103);(339.09537,0.05505506);(340.08792,0.02002002);(341.06146,0.01701702);(342.06155,0.00800801);(342.08768,0.01201201);(353.06708,0.07707708);(353.0813,0.01301301);(354.05054,0.01301301);(354.06662,0.02202202);(354.07944,0.01701702);(359.0723,0.01501502);(367.07794,0.01801802);(371.08142,0.00700701);(372.08258,0.00500501);(373.95175,0.00500501);(383.0744,0.07707708);(384.06885,0.01301301);(384.0816,0.00900901);(385.08673,0.00900901);(395.05695,0.02002002);(395.08182,0.04204204);(396.09094,0.00900901);(401.09006,0.00600601);(413.04541,0.00500501);(413.08813,0.11011011);(414.08896,0.01201201);(414.10391,0.01201201);(414.12262,0.00500501);(415.08392,0.00900901);(431.06595,0.00700701);(431.09506,0.15615616);(432.09479,0.04104104);(449.04047,0.01201201);(449.0704,0.01701702);(449.10699,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(137.02441,0.02602603);(165.02043,0.01101101);(217.05066,0.01901902);(218.05998,0.00800801);(237.63312,0.00700701);(243.03479,0.00700701);(243.0634,0.01001001);(259.06549,0.01201201);(269.05542,0.00700701);(272.06223,0.01701702);(299.05511,0.22122122);(300.03653,0.00600601);(300.06342,0.12312312);(301.07166,0.02102102);(311.02621,0.00500501);(311.05756,0.04104104);(313.06754,0.04504505);(313.08643,0.00800801);(314.07361,0.00800801);(325.07101,0.01001001);(327.04245,0.01001001);(327.09708,0.00700701);(329.05841,0.0970971);(329.06921,0.2002002);(330.06378,0.04004004);(330.07489,0.01501502);(339.05051,0.01001001);(339.07516,0.03103103);(339.09067,0.06106106);(340.05762,0.00600601);(340.08426,0.01701702);(341.05911,0.00700701);(341.07855,0.00600601);(342.06787,0.00500501);(353.0387,0.00800801);(353.06097,0.04404404);(353.07425,0.05005005);(353.08386,0.01501502);(354.07117,0.00700701);(354.09668,0.00600601);(359.07834,0.02802803);(365.05716,0.00500501);(367.08197,0.04004004);(371.08798,0.00700701);(383.07431,0.08008008);(384.08069,0.02402402);(395.07236,0.04804805);(395.10367,0.00600601);(396.07852,0.00500501);(413.05307,0.00700701);(413.07767,0.04904905);(413.0932,0.07407407);(414.08722,0.02302302);(415.09872,0.00500501);(431.09943,0.17317317);(432.09399,0.01801802);(432.11343,0.01601602);(433.10175,0.00600601);(447.08411,0.00600601);(449.04971,0.02002002);(449.10913,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(65.03889,0.02102102);(67.05253,0.01401401);(68.99481,0.03003003);(69.00345,0.01701702);(69.0323,0.00900901);(69.31299,0.01001001);(77.03815,0.01501502);(79.00905,0.01201201);(79.01692,0.06306306);(79.02212,0.03103103);(79.05683,0.01401401);(81.03072,0.01101101);(81.03603,0.01301301);(85.02598,0.04804805);(85.7653,0.01101101);(86.02817,0.01001001);(89.03652,0.02902903);(91.04962,0.01201201);(91.05746,0.01601602);(92.98905,0.01901902);(92.99483,0.01401401);(93.03442,0.01701702);(95.0504,0.02702703);(97.02126,0.01801802);(107.01363,0.01401401);(107.0444,0.01601602);(109.01917,0.01301301);(109.02704,0.02202202);(109.03759,0.01301301);(109.49342,0.01001001);(110.029,0.01001001);(110.03611,0.03703704);(111.01167,0.01801802);(111.03819,0.02402402);(115.05787,0.01501502);(115.35998,0.02102102);(117.02573,0.02502503);(119.04744,0.01801802);(121.02905,0.02702703);(122.90746,0.01001001);(123.00757,0.05505506);(123.03848,0.02602603);(128.82646,0.01701702);(129.06268,0.02202202);(134.02849,0.01101101);(134.03905,0.01501502);(134.62846,0.01101101);(135.02531,0.02902903);(135.04239,0.19119119);(135.56709,0.00900901);(136.03708,0.01301301);(136.05542,0.08408408);(136.06442,0.02102102);(136.89394,0.01001001);(136.95958,0.01301301);(136.98062,0.01501502);(136.99814,0.01401401);(137.02188,0.65765766);(137.24338,0.01301301);(137.62872,0.01501502);(138.02724,0.15315315);(138.03673,0.03003003);(139.03645,0.01801802);(139.04347,0.01701702);(139.0582,0.00900901);(144.04382,0.01101101);(145.02327,0.02002002);(146.0226,0.02202202);(146.03714,0.01201201);(147.04703,0.03503504);(147.05072,0.01301301);(148.05103,0.02402402);(149.01167,0.01101101);(149.02126,0.05905906);(149.03242,0.01401401);(150.02437,0.02402402);(151.03244,0.01201201);(152.00821,0.01301301);(152.05988,0.03103103);(152.07088,0.00900901);(153.01692,0.02102102);(153.05797,0.02102102);(153.07358,0.01501502);(155.04721,0.01501502);(157.03036,0.01101101);(157.06126,0.01501502);(158.03424,0.02102102);(159.0419,0.02102102);(159.08604,0.00900901);(160.04913,0.01701702);(160.0537,0.04104104);(161.00655,0.01201201);(161.01967,0.07607608);(161.02718,0.12012012);(162.03346,0.02502503);(162.05473,0.02202202);(163.03445,0.03903904);(163.04211,0.0990991);(164.0405,0.01201201);(164.98332,0.01401401);(165.01823,0.4994995);(165.04834,0.01001001);(166.01328,0.01201201);(166.03854,0.01501502);(167.0294,0.02602603);(167.04105,0.01501502);(167.08258,0.02102102);(167.56322,0.01501502);(168.47824,0.01001001);(169.05777,0.01701702);(170.06439,0.01801802);(171.04503,0.01601602);(171.07307,0.01101101);(173.02097,0.01501502);(173.03447,0.01601602);(173.05754,0.04304304);(174.05396,0.01401401);(174.47397,0.00900901);(175.03976,0.01301301);(177.01993,0.08508509);(177.04376,0.01401401);(177.05339,0.02102102);(177.06575,0.01601602);(178.06119,0.02102102);(179.00099,0.01101101);(179.03343,0.06306306);(179.04742,0.00900901);(179.84909,0.01601602);(180.02368,0.01501502);(181.02122,0.01501502);(181.04929,0.01101101);(181.0686,0.03803804);(182.06865,0.01501502);(182.15369,0.01201201);(183.04134,0.03403403);(183.04909,0.02302302);(183.07983,0.01901902);(183.9209,0.01401401);(185.0598,0.01101101);(185.06721,0.01901902);(185.13293,0.01101101);(187.03836,0.04004004);(188.02994,0.02902903);(188.08395,0.01101101);(189.00339,0.01001001);(189.01479,0.02902903);(189.03726,0.01801802);(189.05673,0.04704705);(191.02873,0.01401401);(191.03847,0.03003003);(191.04898,0.01101101);(193.06451,0.01001001);(194.07248,0.01101101);(195.02713,0.01201201);(197.05197,0.01401401);(197.05974,0.00900901);(198.02835,0.01501502);(198.06726,0.02602603);(199.02391,0.01101101);(199.03801,0.01801802);(199.0451,0.01501502);(199.05507,0.02102102);(199.07214,0.02802803);(200.06818,0.02602603);(201.01697,0.02002002);(201.05826,0.02802803);(201.99937,0.01501502);(202.02325,0.02402402);(202.04175,0.01401401);(202.06187,0.01001001);(202.07024,0.03003003);(203.03479,0.15815816);(205.9678,0.01801802);(207.00606,0.01101101);(207.16193,0.00900901);(208.03754,0.01001001);(209.01625,0.01601602);(210.06746,0.01401401);(211.0186,0.01401401);(211.03499,0.03703704);(211.08084,0.01601602);(212.04126,0.01401401);(213.04643,0.03103103);(213.06433,0.02202202);(214.05394,0.01101101);(215.04324,0.01901902);(215.05884,0.02302302);(216.03059,0.02502503);(216.04552,0.02802803);(216.06459,0.01301301);(216.08118,0.01601602);(217.03278,0.01701702);(217.05029,0.08508509);(217.07825,0.01601602);(218.06343,0.00900901);(219.03285,0.01001001);(219.0452,0.01701702);(225.04723,0.03803804);(226.02751,0.01401401);(226.05736,0.06906907);(226.48973,0.01101101);(227.02979,0.01501502);(227.04958,0.00900901);(227.05936,0.03103103);(227.06941,0.12012012);(227.07922,0.04704705);(228.08223,0.01001001);(229.04745,0.21221221);(229.0594,0.06106106);(230.05698,0.03403403);(230.06802,0.01701702);(231.024,0.01701702);(231.05672,0.02102102);(231.0665,0.01901902);(233.0423,0.01001001);(233.06281,0.02502503);(233.95233,0.01401401);(234.0619,0.01401401);(234.07126,0.01401401);(235.0,0.01601602);(235.88727,0.02002002);(237.05875,0.03403403);(237.65031,0.01301301);(238.06346,0.03303303);(239.03717,0.01901902);(240.95905,0.01501502);(243.06578,0.11611612);(243.07622,0.07207207);(243.38176,0.00900901);(244.0705,0.05405405);(244.10042,0.01401401);(245.01323,0.00900901);(245.04126,0.01501502);(250.07317,0.03203203);(251.05518,0.01601602);(251.07155,0.03403403);(251.24507,0.00900901);(252.06085,0.01201201);(253.09996,0.01201201);(253.955,0.00900901);(254.0508,0.03103103);(254.06567,0.02502503);(254.38313,0.00900901);(255.01585,0.01001001);(255.02332,0.02802803);(255.04303,0.03403403);(255.06129,0.01901902);(255.07228,0.01101101);(257.03979,0.07107107);(257.05237,0.01401401);(258.04898,0.02402402);(258.05829,0.03703704);(259.03601,0.03003003);(259.06152,0.01801802);(263.02908,0.01001001);(263.47342,0.01601602);(264.03622,0.01501502);(264.04776,0.02002002);(265.03674,0.01601602);(266.05481,0.02902903);(269.08383,0.02302302);(270.67917,0.01201201);(271.01971,0.04104104);(271.0311,0.02902903);(271.056,0.32432432);(271.06766,0.31231231);(271.71356,0.01901902);(271.97287,0.01001001);(272.03491,0.00900901);(272.04773,0.04204204);(272.06708,0.7007007);(272.6391,0.04304304);(273.0372,0.02902903);(273.06641,0.02402402);(273.07977,0.05705706);(274.08319,0.01101101);(275.31152,0.00900901);(278.12897,0.00900901);(279.06158,0.00900901);(279.07251,0.00900901);(279.0853,0.01301301);(282.03149,0.02102102);(282.04974,0.03103103);(282.06024,0.06906907);(283.0611,0.00900901);(283.13455,0.00900901);(284.05621,0.02702703);(284.07401,0.05305305);(285.07407,0.01901902);(287.03729,0.01101101);(287.05316,0.06606607);(287.08487,0.01301301);(287.09717,0.01501502);(290.09113,0.01001001);(293.03824,0.01001001);(295.03867,0.02402402);(295.05676,0.05305305);(295.06769,0.04904905);(295.08047,0.01001001);(296.06329,0.02202202);(296.7912,0.01001001);(296.94611,0.01101101);(297.08047,0.02902903);(298.71811,0.00900901);(299.02039,0.01701702);(299.05731,0.73773774);(300.00864,0.03103103);(300.02377,0.03303303);(300.03729,0.04604605);(300.06155,1.0);(300.09085,0.04704705);(301.05875,0.14914915);(301.07135,0.15815816);(301.08646,0.05305305);(302.05804,0.04204204);(302.0697,0.02302302);(302.09369,0.01401401);(303.0358,0.01601602);(309.05841,0.05205205);(310.06293,0.02802803);(311.02249,0.01001001);(311.05109,0.19319319);(311.06161,0.16116116);(312.05255,0.03003003);(312.06238,0.03703704);(313.03372,0.01401401);(313.06421,0.4004004);(313.07974,0.10810811);(314.04715,0.01201201);(314.06125,0.02402402);(314.07687,0.04304304);(314.22009,0.00900901);(315.0416,0.01201201);(320.06158,0.01501502);(321.07275,0.03903904);(322.08386,0.01801802);(323.064,0.05405405);(324.04578,0.02202202);(324.06308,0.03103103);(324.98425,0.01301301);(325.07687,0.07207207);(326.07568,0.01201201);(328.07016,0.02002002);(328.82861,0.01001001);(329.06482,0.14914915);(329.08261,0.02402402);(330.06567,0.02702703);(331.06131,0.00900901);(337.02017,0.01301301);(337.07159,0.03603604);(337.15591,0.00900901);(338.06802,0.02202202);(339.03067,0.01601602);(339.04346,0.02102102);(339.06143,0.03003003);(339.08197,0.17317317);(339.10239,0.03403403);(340.05487,0.01501502);(340.11523,0.01301301);(340.84506,0.00900901);(341.04636,0.00900901);(341.07037,0.04704705);(352.96164,0.01701702);(382.60199,0.01101101);(436.59479,0.01401401);(443.79071,0.01301301)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(55.00479,0.01701702);(55.0167,0.01601602);(66.04858,0.00900901);(67.01905,0.00900901);(68.99845,0.00800801);(69.02644,0.01101101);(77.03772,0.01501502);(78.0437,0.01101101);(79.0187,0.11911912);(81.01975,0.01001001);(81.03277,0.08208208);(85.01663,0.01001001);(85.02721,0.03803804);(93.03344,0.02202202);(95.01268,0.00800801);(95.04909,0.00900901);(95.05574,0.01201201);(99.00949,0.01301301);(105.04057,0.00900901);(107.00911,0.02002002);(107.01426,0.02702703);(107.04653,0.02702703);(109.02397,0.04704705);(109.03044,0.04804805);(109.11697,0.01101101);(111.00809,0.01001001);(112.0574,0.00900901);(115.04989,0.00800801);(115.0574,0.01301301);(117.03374,0.03003003);(118.03852,0.01201201);(120.05013,0.02202202);(121.00945,0.00900901);(121.02974,0.01101101);(123.00044,0.00800801);(123.00852,0.02102102);(123.04377,0.00800801);(123.92651,0.00900901);(124.01109,0.01301301);(125.01488,0.02502503);(125.02428,0.04704705);(127.35949,0.01201201);(128.06296,0.01201201);(129.07391,0.00900901);(130.17622,0.01401401);(132.05542,0.00800801);(133.0246,0.01701702);(134.90823,0.00900901);(135.0175,0.01001001);(135.03958,0.12412412);(135.04774,0.07007007);(136.03342,0.01501502);(136.05122,0.13313313);(136.06178,0.04004004);(136.21872,0.01601602);(136.88776,0.01701702);(136.98979,0.00900901);(137.00766,0.01701702);(137.02296,0.51351351);(137.03429,0.04104104);(137.05536,0.02302302);(137.06299,0.00900901);(137.91951,0.00800801);(138.0265,0.2032032);(138.33061,0.00900901);(138.99852,0.01001001);(139.02582,0.00900901);(140.0419,0.01301301);(141.06604,0.01701702);(141.7399,0.00900901);(142.84065,0.00800801);(144.03175,0.01601602);(145.02785,0.02302302);(145.034,0.01201201);(145.0607,0.02102102);(146.03044,0.00900901);(146.0636,0.01401401);(147.00565,0.01001001);(147.03587,0.01001001);(147.04568,0.00900901);(147.05579,0.02402402);(149.01512,0.01401401);(149.02818,0.03403403);(149.06195,0.00900901);(152.04077,0.00900901);(152.05341,0.01501502);(152.06894,0.01101101);(153.01717,0.02102102);(153.06168,0.01701702);(153.07372,0.01201201);(154.07547,0.02202202);(155.04988,0.01201201);(159.03972,0.01501502);(160.05742,0.01801802);(161.01675,0.08808809);(161.02365,0.08708709);(161.05608,0.00900901);(162.02959,0.05205205);(162.99524,0.01101101);(163.03226,0.05505506);(163.04852,0.01301301);(164.03246,0.02202202);(164.04089,0.03303303);(164.98386,0.01601602);(165.01129,0.06106106);(165.01878,0.14614615);(165.06363,0.01301301);(166.01822,0.02602603);(166.02556,0.02202202);(167.01701,0.01301301);(167.02858,0.01101101);(169.02792,0.01001001);(169.06197,0.03003003);(170.03578,0.02102102);(170.06781,0.01801802);(170.08382,0.01301301);(171.02643,0.00800801);(171.03769,0.01001001);(171.48367,0.01101101);(172.05338,0.01701702);(173.02139,0.01901902);(173.05499,0.04204204);(173.0643,0.01601602);(174.02649,0.02402402);(174.03435,0.01101101);(176.05145,0.02502503);(176.99773,0.01701702);(177.0106,0.06306306);(177.02219,0.05405405);(177.05331,0.01401401);(177.05998,0.01001001);(177.99411,0.01001001);(178.99805,0.01001001);(179.01703,0.00800801);(179.02742,0.02802803);(179.03871,0.05705706);(180.03415,0.02202202);(180.04883,0.01001001);(181.05963,0.01301301);(182.07881,0.02202202);(183.04745,0.03503504);(184.02798,0.01101101);(184.04089,0.00900901);(185.05678,0.03403403);(187.03143,0.05005005);(187.04787,0.01101101);(187.07341,0.01001001);(188.0074,0.01301301);(188.70528,0.01301301);(189.0155,0.03003003);(189.05119,0.03403403);(190.05083,0.02002002);(190.0793,0.01301301);(191.00198,0.01201201);(191.01071,0.01301301);(191.02977,0.01301301);(192.03754,0.02602603);(193.05283,0.00800801);(193.54007,0.01601602);(195.04149,0.01301301);(195.07419,0.01401401);(197.06012,0.04804805);(198.03241,0.01301301);(198.04976,0.00900901);(198.06816,0.02202202);(198.07855,0.01301301);(199.03999,0.02802803);(199.06274,0.01101101);(201.05157,0.05405405);(201.06396,0.02602603);(202.02995,0.03303303);(202.06659,0.00900901);(203.02914,0.10710711);(203.05116,0.03703704);(203.06271,0.01201201);(204.03618,0.03003003);(205.0153,0.00900901);(205.04332,0.02402402);(205.05458,0.01101101);(206.01735,0.01701702);(207.04503,0.01001001);(207.25952,0.01201201);(208.03844,0.03103103);(209.02492,0.01801802);(209.04269,0.01101101);(209.05826,0.00900901);(210.05536,0.00900901);(211.03448,0.05105105);(211.04446,0.01201201);(211.05951,0.00800801);(211.07562,0.02202202);(212.01059,0.01301301);(212.03374,0.01101101);(212.04884,0.01501502);(212.5424,0.01301301);(213.04675,0.05005005);(213.05655,0.02002002);(213.06468,0.01801802);(214.06429,0.00900901);(214.25186,0.00900901);(215.03769,0.00900901);(215.0448,0.01201201);(215.07471,0.03603604);(216.01357,0.01301301);(216.04391,0.00800801);(216.07695,0.00800801);(217.01024,0.01101101);(217.04948,0.01801802);(217.0696,0.01601602);(219.01976,0.00800801);(219.04164,0.01301301);(219.06532,0.01301301);(222.97928,0.00900901);(225.02803,0.00800801);(226.0334,0.01201201);(226.04921,0.00800801);(226.06593,0.05105105);(227.0657,0.06406406);(227.07494,0.18618619);(228.07449,0.03503504);(228.08424,0.01101101);(228.67459,0.01101101);(229.03023,0.02702703);(229.04727,0.12612613);(229.05522,0.08208208);(229.07014,0.01201201);(229.19194,0.00900901);(229.9576,0.01101101);(230.04903,0.0990991);(230.06474,0.02002002);(230.31477,0.00900901);(231.01981,0.01201201);(231.0652,0.05105105);(232.19633,0.00900901);(233.03986,0.01201201);(234.03294,0.02302302);(235.04828,0.02602603);(236.05214,0.02102102);(237.03752,0.01301301);(237.0694,0.05305305);(239.0376,0.01101101);(241.0473,0.01401401);(241.71532,0.01901902);(242.90962,0.00900901);(243.02457,0.01201201);(243.03436,0.01301301);(243.06007,0.06606607);(243.07545,0.00800801);(244.05882,0.03703704);(244.0762,0.07407407);(245.65675,0.01201201);(245.98738,0.01501502);(246.08536,0.01401401);(246.59737,0.00900901);(247.03719,0.01301301);(247.07022,0.00800801);(250.05865,0.01301301);(250.06557,0.02502503);(251.06638,0.00900901);(251.07396,0.01801802);(253.05605,0.00800801);(254.05856,0.04104104);(254.79071,0.01101101);(255.03256,0.01201201);(255.06505,0.01801802);(255.08076,0.00800801);(256.05655,0.00900901);(256.46973,0.01201201);(257.04678,0.04904905);(257.22009,0.01301301);(258.01642,0.01301301);(258.04022,0.03203203);(258.05841,0.03203203);(258.07062,0.02102102);(259.05762,0.01101101);(260.01465,0.00800801);(260.07227,0.00800801);(261.04611,0.01301301);(266.04938,0.01001001);(267.06552,0.02702703);(269.04407,0.01101101);(270.05118,0.02302302);(271.01706,0.00900901);(271.06146,0.52052052);(271.35297,0.00900901);(272.05835,0.15615616);(272.06821,0.45045045);(272.0903,0.02002002);(273.06451,0.07307307);(273.08041,0.01201201);(277.03699,0.01501502);(279.05847,0.01301301);(279.72107,0.00800801);(280.06403,0.00800801);(281.03534,0.02602603);(281.05484,0.01101101);(282.04474,0.02102102);(282.05853,0.03503504);(283.05579,0.03603604);(283.2518,0.01001001);(284.06458,0.03003003);(285.08527,0.01201201);(286.03711,0.01201201);(287.05304,0.03903904);(287.06445,0.01001001);(287.22086,0.01301301);(288.04526,0.00800801);(288.0582,0.02002002);(289.0513,0.01301301);(293.03683,0.02202202);(295.06412,0.01501502);(295.07727,0.01001001);(295.9939,0.01201201);(297.06494,0.04404404);(297.384,0.01001001);(298.15512,0.01301301);(299.02472,0.00800801);(299.05054,0.5005005);(299.06491,0.46846847);(299.93039,0.00900901);(300.01819,0.02602603);(300.03958,0.09409409);(300.06302,1.0);(300.12521,0.01701702);(300.96252,0.00900901);(301.05002,0.01701702);(301.07458,0.21521522);(302.06866,0.02402402);(306.06339,0.01801802);(309.06909,0.02402402);(310.95023,0.00800801);(311.05051,0.28228228);(311.07089,0.12312312);(311.09952,0.01201201);(311.20514,0.01101101);(312.03836,0.02302302);(312.05536,0.02202202);(312.06812,0.04004004);(312.53738,0.00800801);(312.80685,0.00900901);(313.04843,0.02402402);(313.06754,0.34434434);(313.07919,0.18118118);(313.11282,0.00800801);(314.05484,0.00900901);(314.08398,0.01001001);(314.09402,0.01001001);(315.0564,0.01201201);(315.07306,0.01301301);(315.09662,0.01001001);(321.02621,0.01101101);(324.03052,0.00900901);(324.0611,0.03003003);(324.08185,0.01101101);(325.03897,0.01101101);(325.06985,0.11211211);(325.46356,0.02102102);(326.07999,0.00900901);(327.04376,0.00800801);(327.07825,0.01001001);(328.08923,0.02202202);(329.0401,0.00900901);(329.05206,0.02702703);(329.065,0.06106106);(329.08621,0.01301301);(330.07248,0.00800801);(330.08725,0.01701702);(334.47269,0.00800801);(336.04977,0.01701702);(337.05698,0.03403403);(337.06708,0.03803804);(337.08249,0.01101101);(337.99933,0.01001001);(338.5954,0.00800801);(339.04376,0.02102102);(339.05963,0.01201201);(339.0813,0.04404404);(340.05319,0.01501502);(340.08444,0.01301301);(340.10211,0.01301301);(341.06122,0.01201201);(341.07526,0.03503504);(342.07074,0.00800801);(342.10367,0.00800801);(351.0408,0.01401401);(396.46814,0.01101101)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	high	View Spectrum	(161.023,0.089);(225.058,0.069);(241.052,0.077);(253.052,0.093);(255.036,0.09);(269.046,0.439);(270.051,0.137);(284.035,0.163);(285.043,0.124);(297.04,1.0);(298.047,0.274);(299.055,0.188);(311.05,0.074);(313.034,0.1);(325.037,0.1);(327.051,0.545);(328.055,0.075);(357.063,0.12);(417.086,0.074)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	high	View Spectrum	(133.029,0.203);(225.056,0.232);(227.037,0.189);(268.038,0.171);(269.046,1.0);(270.05,0.411);(284.033,0.24);(285.041,0.272);(297.042,0.524);(298.046,0.467);(299.055,0.411);(327.05,0.232)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(165.016,0.013);(217.049,0.012);(243.033,0.014);(259.062,0.015);(271.057,0.013);(287.05,0.018);(299.054,0.204);(300.058,0.106);(301.065,0.012);(302.071,0.013);(311.058,0.068);(313.057,0.012);(313.072,0.037);(324.057,0.01);(327.037,0.016);(327.052,0.01);(329.066,0.315);(330.049,0.012);(330.067,0.056);(330.079,0.026);(331.064,0.013);(339.083,0.024);(340.095,0.02);(341.074,0.023);(341.107,0.011);(353.063,0.068);(353.079,0.013);(354.071,0.02);(367.073,0.028);(367.086,0.032);(371.08,0.012);(383.075,0.086);(384.075,0.02);(395.064,0.022);(395.08,0.035);(396.079,0.014);(413.067,0.019);(413.088,0.104);(414.092,0.024);(415.085,0.011);(415.109,0.01);(431.068,0.016);(431.096,0.169);(432.109,0.043);(449.046,0.011);(449.106,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(137.02,0.016);(217.05,0.036);(218.059,0.01);(219.03,0.01);(233.046,0.017);(243.03,0.076);(259.059,0.03);(287.059,0.02);(299.022,0.019);(299.053,0.667);(300.037,0.02);(300.06,0.248);(301.067,0.022);(311.03,0.014);(311.044,0.044);(311.059,0.072);(312.058,0.01);(313.059,0.026);(313.075,0.081);(323.054,0.011);(324.054,0.022);(325.059,0.029);(325.078,0.024);(327.049,0.026);(328.065,0.01);(329.065,1.0);(330.052,0.042);(330.066,0.1);(330.082,0.036);(331.076,0.023);(339.053,0.041);(339.09,0.275);(340.088,0.033);(341.04,0.01);(341.066,0.028);(343.069,0.011);(353.036,0.016);(353.065,0.237);(354.064,0.046);(354.083,0.025);(355.084,0.019);(359.074,0.056);(360.081,0.01);(367.075,0.048);(367.087,0.06);(368.085,0.016);(371.071,0.027);(383.068,0.063);(383.085,0.065);(384.08,0.013);(395.069,0.063);(395.097,0.02);(396.076,0.01);(413.061,0.014);(413.079,0.062);(413.096,0.071);(414.083,0.02);(414.095,0.041);(431.09,0.032)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(50.136,0.016);(69.014,0.03);(69.031,0.011);(69.709,0.011);(79.015,0.059);(80.017,0.011);(81.034,0.019);(81.038,0.011);(81.071,0.01);(81.368,0.01);(82.038,0.024);(82.762,0.01);(85.029,0.04);(89.037,0.024);(89.048,0.013);(93.03,0.01);(95.003,0.013);(95.013,0.024);(97.026,0.02);(97.032,0.01);(105.027,0.012);(109.027,0.062);(109.039,0.022);(110.029,0.013);(110.036,0.013);(110.042,0.011);(111.011,0.019);(111.043,0.037);(117.029,0.019);(117.04,0.018);(121.027,0.033);(122.031,0.012);(122.996,0.021);(123.005,0.039);(123.043,0.031);(124.007,0.011);(125.02,0.027);(125.029,0.018);(126.032,0.016);(129.032,0.014);(129.077,0.02);(130.038,0.016);(131.016,0.011);(131.043,0.037);(132.561,0.01);(133.03,0.028);(134.038,0.012);(135.036,0.034);(135.044,0.049);(135.05,0.08);(136.013,0.011);(136.041,0.013);(136.05,0.12);(136.579,0.01);(136.966,0.01);(136.999,0.039);(137.007,0.048);(137.021,0.665);(137.031,0.073);(137.053,0.025);(138.027,0.121);(138.034,0.068);(138.364,0.011);(139.025,0.028);(139.033,0.019);(139.67,0.01);(141.07,0.053);(141.212,0.017);(142.071,0.01);(143.009,0.012);(143.039,0.025);(144.018,0.016);(144.053,0.034);(144.122,0.013);(145.012,0.01);(145.025,0.011);(146.046,0.017);(147.049,0.016);(149.018,0.019);(149.026,0.069);(150.021,0.012);(151.036,0.014);(151.047,0.012);(152.047,0.021);(152.059,0.02);(153.003,0.019);(157.057,0.01);(157.072,0.011);(159.042,0.039);(160.076,0.015);(160.968,0.011);(161.002,0.015);(161.016,0.071);(161.024,0.118);(161.062,0.03);(162.06,0.013);(162.861,0.024);(163.02,0.02);(163.033,0.048);(163.042,0.038);(164.034,0.011);(164.184,0.021);(165.017,0.26);(165.057,0.016);(165.855,0.01);(166.026,0.048);(166.032,0.016);(167.031,0.01);(167.045,0.017);(167.093,0.018);(168.919,0.015);(169.066,0.019);(171.034,0.016);(171.045,0.026);(172.044,0.013);(172.052,0.025);(173.059,0.024);(173.121,0.011);(174.033,0.01);(175.0,0.016);(175.026,0.01);(175.036,0.025);(175.043,0.011);(176.996,0.02);(177.012,0.05);(177.02,0.029);(177.055,0.019);(177.996,0.015);(178.036,0.01);(178.065,0.045);(179.026,0.037);(179.036,0.118);(181.057,0.013);(183.045,0.015);(183.079,0.019);(184.053,0.017);(185.027,0.016);(185.061,0.019);(187.017,0.013);(187.036,0.073);(187.044,0.035);(187.079,0.017);(188.051,0.015);(188.074,0.025);(189.029,0.022);(189.042,0.016);(189.05,0.016);(189.062,0.025);(191.031,0.058);(191.039,0.016);(192.046,0.042);(193.042,0.013);(194.078,0.012);(195.073,0.01);(196.05,0.022);(197.055,0.047);(197.069,0.017);(198.067,0.015);(198.081,0.044);(198.141,0.024);(199.032,0.016);(199.073,0.017);(200.061,0.017);(201.021,0.011);(201.053,0.025);(201.866,0.011);(202.09,0.012);(203.022,0.013);(203.033,0.043);(203.042,0.057);(204.038,0.012);(204.995,0.016);(205.043,0.013);(205.061,0.038);(206.616,0.016);(207.027,0.022);(207.045,0.011);(208.035,0.018);(209.074,0.014);(209.098,0.013);(210.073,0.012);(211.026,0.011);(211.041,0.026);(212.081,0.019);(213.052,0.044);(213.06,0.071);(214.063,0.026);(215.033,0.018);(215.046,0.044);(215.07,0.01);(216.077,0.011);(217.013,0.013);(217.044,0.029);(217.052,0.029);(218.048,0.015);(222.057,0.015);(224.075,0.01);(225.055,0.014);(225.995,0.012);(226.052,0.029);(226.061,0.025);(226.077,0.032);(226.47,0.022);(227.053,0.022);(227.062,0.061);(227.073,0.181);(227.88,0.011);(229.007,0.012);(229.048,0.193);(229.059,0.119);(229.21,0.012);(230.053,0.03);(230.06,0.026);(233.048,0.016);(233.124,0.011);(235.025,0.015);(236.039,0.012);(236.055,0.011);(237.044,0.037);(237.05,0.016);(237.063,0.014);(239.035,0.013);(240.042,0.012);(240.08,0.013);(243.025,0.075);(243.07,0.178);(244.034,0.011);(244.065,0.025);(244.075,0.054);(245.041,0.013);(245.084,0.04);(246.07,0.01);(246.92,0.014);(247.036,0.01);(250.06,0.046);(252.295,0.013);(253.02,0.014);(253.049,0.017);(254.06,0.017);(254.071,0.053);(254.336,0.01);(255.049,0.01);(255.066,0.026);(255.079,0.016);(256.057,0.02);(257.044,0.073);(257.066,0.013);(258.038,0.016);(258.052,0.044);(259.059,0.024);(259.067,0.069);(263.048,0.026);(265.05,0.031);(265.086,0.015);(266.053,0.011);(269.048,0.02);(270.056,0.019);(270.07,0.022);(271.028,0.03);(271.059,0.629);(271.084,0.029);(272.032,0.043);(272.063,0.394);(272.076,0.156);(273.028,0.012);(273.07,0.099);(273.081,0.088);(273.176,0.011);(279.063,0.03);(279.074,0.027);(281.05,0.032);(282.038,0.02);(282.051,0.076);(282.07,0.019);(283.054,0.071);(284.055,0.015);(284.074,0.029);(285.11,0.01);(286.03,0.017);(286.058,0.035);(287.01,0.029);(287.052,0.071);(287.067,0.045);(293.062,0.02);(294.078,0.015);(295.031,0.012);(295.05,0.057);(295.063,0.049);(295.076,0.032);(296.051,0.025);(296.063,0.031);(296.08,0.011);(296.145,0.016);(297.059,0.011);(298.868,0.011);(299.025,0.061);(299.055,0.988);(299.079,0.022);(299.774,0.012);(300.032,0.013);(300.064,1.0);(301.068,0.3);(301.081,0.079);(301.172,0.021);(302.065,0.043);(302.08,0.04);(303.542,0.01);(307.052,0.01);(309.068,0.03);(309.089,0.019);(311.028,0.037);(311.054,0.26);(311.066,0.118);(312.019,0.01);(312.058,0.073);(312.95,0.026);(313.024,0.021);(313.051,0.053);(313.067,0.265);(313.081,0.205);(313.274,0.016);(314.074,0.05);(314.085,0.016);(315.068,0.025);(318.241,0.011);(320.088,0.011);(321.041,0.011);(321.064,0.011);(323.03,0.01);(323.055,0.037);(323.065,0.012);(324.061,0.098);(325.061,0.071);(325.071,0.167);(326.072,0.01);(327.056,0.014);(329.069,0.188);(329.087,0.016);(330.066,0.016);(331.072,0.012);(337.048,0.011);(337.077,0.04);(337.096,0.01);(339.065,0.017);(339.083,0.097);(339.103,0.013);(340.064,0.022);(340.091,0.02);(341.057,0.02);(351.033,0.011);(351.051,0.023);(353.061,0.022)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(137.021,0.012);(217.047,0.019);(259.061,0.017);(261.042,0.011);(271.063,0.017);(272.069,0.027);(286.045,0.01);(287.038,0.011);(299.056,0.215);(300.048,0.032);(300.064,0.115);(301.065,0.046);(311.053,0.047);(313.064,0.013);(313.077,0.028);(327.058,0.011);(329.065,0.333);(330.032,0.01);(330.058,0.038);(330.072,0.037);(339.052,0.011);(339.079,0.031);(339.095,0.055);(340.088,0.02);(341.061,0.017);(342.088,0.012);(353.067,0.077);(353.081,0.013);(354.051,0.013);(354.067,0.022);(354.079,0.017);(359.072,0.015);(367.078,0.018);(383.074,0.077);(384.069,0.013);(395.057,0.02);(395.082,0.042);(413.088,0.11);(414.089,0.012);(414.104,0.012);(431.095,0.156);(432.095,0.041);(449.04,0.012);(449.07,0.017);(449.107,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(137.023,0.042);(217.049,0.053);(217.056,0.025);(243.03,0.05);(244.028,0.011);(259.064,0.02);(261.042,0.013);(271.062,0.016);(287.051,0.031);(287.06,0.035);(299.008,0.01);(299.055,0.779);(300.06,0.266);(301.069,0.023);(311.055,0.144);(312.043,0.011);(312.06,0.024);(313.069,0.122);(314.078,0.011);(323.058,0.02);(324.048,0.012);(324.067,0.038);(325.067,0.047);(326.064,0.018);(327.05,0.059);(329.028,0.013);(329.066,1.0);(330.07,0.222);(331.072,0.035);(339.016,0.011);(339.047,0.03);(339.088,0.305);(340.088,0.068);(341.049,0.012);(341.06,0.033);(341.073,0.048);(342.07,0.021);(343.068,0.013);(343.081,0.029);(344.08,0.011);(352.063,0.01);(353.064,0.297);(354.065,0.028);(354.076,0.027);(359.062,0.016);(359.083,0.038);(360.073,0.011);(366.079,0.018);(367.079,0.096);(367.108,0.01);(368.091,0.018);(371.079,0.024);(383.018,0.013);(383.051,0.028);(383.079,0.103);(384.071,0.02);(384.089,0.015);(395.063,0.041);(395.078,0.11);(396.071,0.012);(413.087,0.17);(414.086,0.029);(414.102,0.011);(431.096,0.01);(431.109,0.027);(432.096,0.012)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(55.005,0.017);(55.017,0.016);(69.026,0.011);(77.038,0.015);(78.044,0.011);(79.019,0.119);(81.02,0.01);(81.033,0.082);(85.017,0.01);(85.027,0.038);(93.033,0.022);(95.056,0.012);(99.009,0.013);(107.009,0.02);(107.014,0.027);(107.047,0.027);(109.024,0.047);(109.03,0.048);(109.117,0.011);(111.008,0.01);(115.057,0.013);(117.034,0.03);(118.039,0.012);(120.05,0.022);(121.03,0.011);(123.009,0.021);(124.011,0.013);(125.015,0.025);(125.024,0.047);(127.359,0.012);(128.063,0.012);(130.176,0.014);(133.025,0.017);(135.018,0.01);(135.04,0.124);(135.048,0.07);(136.033,0.015);(136.051,0.133);(136.062,0.04);(136.219,0.016);(136.888,0.017);(137.008,0.017);(137.023,0.514);(137.034,0.041);(137.055,0.023);(138.026,0.203);(138.999,0.01);(140.042,0.013);(141.066,0.017);(144.032,0.016);(145.028,0.023);(145.034,0.012);(145.061,0.021);(146.064,0.014);(147.006,0.01);(147.036,0.01);(147.056,0.024);(149.015,0.014);(149.028,0.034);(152.053,0.015);(152.069,0.011);(153.017,0.021);(153.062,0.017);(153.074,0.012);(154.075,0.022);(155.05,0.012);(159.04,0.015);(160.057,0.018);(161.017,0.088);(161.024,0.087);(162.03,0.052);(162.995,0.011);(163.032,0.055);(163.049,0.013);(164.032,0.022);(164.041,0.033);(164.984,0.016);(165.011,0.061);(165.019,0.146);(165.064,0.013);(166.018,0.026);(166.026,0.022);(167.017,0.013);(167.029,0.011);(169.028,0.01);(169.062,0.03);(170.036,0.021);(170.068,0.018);(170.084,0.013);(171.038,0.01);(171.484,0.011);(172.053,0.017);(173.021,0.019);(173.055,0.042);(173.064,0.016);(174.026,0.024);(174.034,0.011);(176.051,0.025);(176.998,0.017);(177.011,0.063);(177.022,0.054);(177.053,0.014);(177.06,0.01);(177.994,0.01);(178.998,0.01);(179.027,0.028);(179.039,0.057);(180.034,0.022);(180.049,0.01);(181.06,0.013);(182.079,0.022);(183.047,0.035);(184.028,0.011);(185.057,0.034);(187.031,0.05);(187.048,0.011);(187.073,0.01);(188.007,0.013);(188.705,0.013);(189.016,0.03);(189.051,0.034);(190.051,0.02);(190.079,0.013);(191.002,0.012);(191.011,0.013);(191.03,0.013);(192.038,0.026);(193.54,0.016);(195.041,0.013);(195.074,0.014);(197.06,0.048);(198.032,0.013);(198.068,0.022);(198.079,0.013);(199.04,0.028);(199.063,0.011);(201.052,0.054);(201.064,0.026);(202.03,0.033);(203.029,0.107);(203.051,0.037);(203.063,0.012);(204.036,0.03);(205.043,0.024);(205.055,0.011);(206.017,0.017);(207.045,0.01);(207.26,0.012);(208.038,0.031);(209.025,0.018);(209.043,0.011);(211.034,0.051);(211.044,0.012);(211.076,0.022);(212.011,0.013);(212.034,0.011);(212.049,0.015);(212.542,0.013);(213.047,0.05);(213.057,0.02);(213.065,0.018);(215.045,0.012);(215.075,0.036);(216.014,0.013);(217.01,0.011);(217.049,0.018);(217.07,0.016);(219.042,0.013);(219.065,0.013);(226.033,0.012);(226.066,0.051);(227.066,0.064);(227.075,0.186);(228.074,0.035);(228.084,0.011);(228.675,0.011);(229.03,0.027);(229.047,0.126);(229.055,0.082);(229.07,0.012);(229.958,0.011);(230.049,0.099);(230.065,0.02);(231.02,0.012);(231.065,0.051);(233.04,0.012);(234.033,0.023);(235.048,0.026);(236.052,0.021);(237.038,0.013);(237.069,0.053);(239.038,0.011);(241.047,0.014);(241.715,0.019);(243.025,0.012);(243.034,0.013);(243.06,0.066);(244.059,0.037);(244.076,0.074);(245.657,0.012);(245.987,0.015);(246.085,0.014);(247.037,0.013);(250.059,0.013);(250.066,0.025);(251.074,0.018);(254.059,0.041);(254.791,0.011);(255.033,0.012);(255.065,0.018);(256.47,0.012);(257.047,0.049);(257.22,0.013);(258.016,0.013);(258.04,0.032);(258.058,0.032);(258.071,0.021);(259.058,0.011);(261.046,0.013);(266.049,0.01);(267.066,0.027);(269.044,0.011);(270.051,0.023);(271.061,0.521);(272.058,0.156);(272.068,0.45);(272.09,0.02);(273.065,0.073);(273.08,0.012);(277.037,0.015);(279.058,0.013);(281.035,0.026);(281.055,0.011);(282.045,0.021);(282.059,0.035);(283.056,0.036);(283.252,0.01);(284.065,0.03);(285.085,0.012);(286.037,0.012);(287.053,0.039);(287.064,0.01);(287.221,0.013);(288.058,0.02);(289.051,0.013);(293.037,0.022);(295.064,0.015);(295.077,0.01);(295.994,0.012);(297.065,0.044);(297.384,0.01);(298.155,0.013);(299.051,0.501);(299.065,0.468);(300.018,0.026);(300.04,0.094);(300.063,1.0);(300.125,0.017);(301.05,0.017);(301.075,0.215);(302.069,0.024);(306.063,0.018);(309.069,0.024);(311.051,0.282);(311.071,0.123);(311.1,0.012);(311.205,0.011);(312.038,0.023);(312.055,0.022);(312.068,0.04);(313.048,0.024);(313.068,0.344);(313.079,0.181);(314.084,0.01);(314.094,0.01);(315.056,0.012);(315.073,0.013);(315.097,0.01);(321.026,0.011);(324.061,0.03);(324.082,0.011);(325.039,0.011);(325.07,0.112);(325.464,0.021);(327.078,0.01);(328.089,0.022);(329.052,0.027);(329.065,0.061);(329.086,0.013);(330.087,0.017);(336.05,0.017);(337.057,0.034);(337.067,0.038);(337.082,0.011);(337.999,0.01);(339.044,0.021);(339.06,0.012);(339.081,0.044);(340.053,0.015);(340.084,0.013);(340.102,0.013);(341.061,0.012);(341.075,0.035);(351.041,0.014);(396.468,0.011)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(137.024,0.026);(165.02,0.011);(217.051,0.019);(243.063,0.01);(259.065,0.012);(272.062,0.017);(299.055,0.221);(300.063,0.123);(301.072,0.021);(311.058,0.041);(313.068,0.045);(325.071,0.01);(327.042,0.01);(329.058,0.097);(329.069,0.2);(330.064,0.04);(330.075,0.015);(339.051,0.01);(339.075,0.031);(339.091,0.061);(340.084,0.017);(353.061,0.044);(353.074,0.05);(353.084,0.015);(359.078,0.028);(367.082,0.04);(383.074,0.08);(384.081,0.024);(395.072,0.048);(413.078,0.049);(413.093,0.074);(414.087,0.023);(431.099,0.173);(432.094,0.018);(432.113,0.016);(449.05,0.02);(449.109,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(137.028,0.014);(217.046,0.044);(219.024,0.011);(243.028,0.05);(244.038,0.021);(259.061,0.03);(287.044,0.024);(287.057,0.022);(298.994,0.01);(299.008,0.015);(299.055,0.73);(300.059,0.177);(300.074,0.049);(301.054,0.023);(301.068,0.053);(311.054,0.122);(312.047,0.01);(313.071,0.125);(314.078,0.019);(324.068,0.035);(325.073,0.027);(327.031,0.01);(327.043,0.034);(327.076,0.013);(329.012,0.02);(329.065,1.0);(330.068,0.198);(331.076,0.025);(339.042,0.033);(339.084,0.282);(340.061,0.025);(340.087,0.036);(341.064,0.056);(341.077,0.029);(343.066,0.015);(343.088,0.01);(351.081,0.01);(351.098,0.01);(353.065,0.301);(354.068,0.052);(355.077,0.013);(359.072,0.1);(360.071,0.018);(360.085,0.012);(365.069,0.034);(366.07,0.01);(367.074,0.034);(367.087,0.056);(368.08,0.022);(368.097,0.01);(371.075,0.013);(383.075,0.129);(384.082,0.02);(395.056,0.021);(395.078,0.08);(396.07,0.012);(413.082,0.181);(414.089,0.044);(431.083,0.024);(431.103,0.017)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(65.039,0.021);(67.053,0.014);(68.995,0.03);(69.003,0.017);(69.313,0.01);(77.038,0.015);(79.009,0.012);(79.017,0.063);(79.022,0.031);(79.057,0.014);(81.031,0.011);(81.036,0.013);(85.026,0.048);(85.765,0.011);(86.028,0.01);(89.037,0.029);(91.05,0.012);(91.057,0.016);(92.989,0.019);(92.995,0.014);(93.034,0.017);(95.05,0.027);(97.021,0.018);(107.014,0.014);(107.044,0.016);(109.019,0.013);(109.027,0.022);(109.038,0.013);(109.493,0.01);(110.029,0.01);(110.036,0.037);(111.012,0.018);(111.038,0.024);(115.058,0.015);(115.36,0.021);(117.026,0.025);(119.047,0.018);(121.029,0.027);(122.907,0.01);(123.008,0.055);(123.038,0.026);(128.826,0.017);(129.063,0.022);(134.028,0.011);(134.039,0.015);(134.628,0.011);(135.025,0.029);(135.042,0.191);(136.037,0.013);(136.055,0.084);(136.064,0.021);(136.894,0.01);(136.96,0.013);(136.981,0.015);(136.998,0.014);(137.022,0.658);(137.243,0.013);(137.629,0.015);(138.027,0.153);(138.037,0.03);(139.036,0.018);(139.043,0.017);(144.044,0.011);(145.023,0.02);(146.023,0.022);(146.037,0.012);(147.047,0.035);(147.051,0.013);(148.051,0.024);(149.012,0.011);(149.021,0.059);(149.032,0.014);(150.024,0.024);(151.032,0.012);(152.008,0.013);(152.06,0.031);(153.017,0.021);(153.058,0.021);(153.074,0.015);(155.047,0.015);(157.03,0.011);(157.061,0.015);(158.034,0.021);(159.042,0.021);(160.049,0.017);(160.054,0.041);(161.007,0.012);(161.02,0.076);(161.027,0.12);(162.033,0.025);(162.055,0.022);(163.034,0.039);(163.042,0.099);(164.04,0.012);(164.983,0.014);(165.018,0.499);(165.048,0.01);(166.013,0.012);(166.039,0.015);(167.029,0.026);(167.041,0.015);(167.083,0.021);(167.563,0.015);(168.478,0.01);(169.058,0.017);(170.064,0.018);(171.045,0.016);(171.073,0.011);(173.021,0.015);(173.034,0.016);(173.058,0.043);(174.054,0.014);(175.04,0.013);(177.02,0.085);(177.044,0.014);(177.053,0.021);(177.066,0.016);(178.061,0.021);(179.001,0.011);(179.033,0.063);(179.849,0.016);(180.024,0.015);(181.021,0.015);(181.049,0.011);(181.069,0.038);(182.069,0.015);(182.154,0.012);(183.041,0.034);(183.049,0.023);(183.08,0.019);(183.921,0.014);(185.06,0.011);(185.067,0.019);(185.133,0.011);(187.038,0.04);(188.03,0.029);(188.084,0.011);(189.003,0.01);(189.015,0.029);(189.037,0.018);(189.057,0.047);(191.029,0.014);(191.038,0.03);(191.049,0.011);(193.065,0.01);(194.072,0.011);(195.027,0.012);(197.052,0.014);(198.028,0.015);(198.067,0.026);(199.024,0.011);(199.038,0.018);(199.045,0.015);(199.055,0.021);(199.072,0.028);(200.068,0.026);(201.017,0.02);(201.058,0.028);(201.999,0.015);(202.023,0.024);(202.042,0.014);(202.062,0.01);(202.07,0.03);(203.035,0.158);(205.968,0.018);(207.006,0.011);(208.038,0.01);(209.016,0.016);(210.067,0.014);(211.019,0.014);(211.035,0.037);(211.081,0.016);(212.041,0.014);(213.046,0.031);(213.064,0.022);(214.054,0.011);(215.043,0.019);(215.059,0.023);(216.031,0.025);(216.046,0.028);(216.065,0.013);(216.081,0.016);(217.033,0.017);(217.05,0.085);(217.078,0.016);(219.033,0.01);(219.045,0.017);(225.047,0.038);(226.028,0.014);(226.057,0.069);(226.49,0.011);(227.03,0.015);(227.059,0.031);(227.069,0.12);(227.079,0.047);(228.082,0.01);(229.047,0.212);(229.059,0.061);(230.057,0.034);(230.068,0.017);(231.024,0.017);(231.057,0.021);(231.066,0.019);(233.042,0.01);(233.063,0.025);(233.952,0.014);(234.062,0.014);(234.071,0.014);(235.0,0.016);(235.887,0.02);(237.059,0.034);(237.65,0.013);(238.063,0.033);(239.037,0.019);(240.959,0.015);(243.066,0.116);(243.076,0.072);(244.07,0.054);(244.1,0.014);(245.041,0.015);(250.073,0.032);(251.055,0.016);(251.072,0.034);(252.061,0.012);(253.1,0.012);(254.051,0.031);(254.066,0.025);(255.016,0.01);(255.023,0.028);(255.043,0.034);(255.061,0.019);(255.072,0.011);(257.04,0.071);(257.052,0.014);(258.049,0.024);(258.058,0.037);(259.036,0.03);(259.062,0.018);(263.029,0.01);(263.473,0.016);(264.036,0.015);(264.048,0.02);(265.037,0.016);(266.055,0.029);(269.084,0.023);(270.679,0.012);(271.02,0.041);(271.031,0.029);(271.056,0.324);(271.068,0.312);(271.714,0.019);(271.973,0.01);(272.048,0.042);(272.067,0.701);(272.639,0.043);(273.037,0.029);(273.066,0.024);(273.08,0.057);(274.083,0.011);(279.085,0.013);(282.031,0.021);(282.05,0.031);(282.06,0.069);(284.056,0.027);(284.074,0.053);(285.074,0.019);(287.037,0.011);(287.053,0.066);(287.085,0.013);(287.097,0.015);(290.091,0.01);(293.038,0.01);(295.039,0.024);(295.057,0.053);(295.068,0.049);(295.08,0.01);(296.063,0.022);(296.791,0.01);(296.946,0.011);(297.08,0.029);(299.02,0.017);(299.057,0.738);(300.009,0.031);(300.024,0.033);(300.037,0.046);(300.062,1.0);(300.091,0.047);(301.059,0.149);(301.071,0.158);(301.086,0.053);(302.058,0.042);(302.07,0.023);(302.094,0.014);(303.036,0.016);(309.058,0.052);(310.063,0.028);(311.022,0.01);(311.051,0.193);(311.062,0.161);(312.053,0.03);(312.062,0.037);(313.034,0.014);(313.064,0.4);(313.08,0.108);(314.047,0.012);(314.061,0.024);(314.077,0.043);(315.042,0.012);(320.062,0.015);(321.073,0.039);(322.084,0.018);(323.064,0.054);(324.046,0.022);(324.063,0.031);(324.984,0.013);(325.077,0.072);(326.076,0.012);(328.07,0.02);(328.829,0.01);(329.065,0.149);(329.083,0.024);(330.066,0.027);(337.02,0.013);(337.072,0.036);(338.068,0.022);(339.031,0.016);(339.043,0.021);(339.061,0.03);(339.082,0.173);(339.102,0.034);(340.055,0.015);(340.115,0.013);(341.07,0.047);(352.962,0.017);(382.602,0.011);(436.595,0.014);(443.791,0.013)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(447.092,0.033);(448.097,0.012);(449.108,1.0);(450.112,0.246);(451.114,0.048)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(299.055,0.013);(329.066,0.116);(330.069,0.021);(353.065,0.015);(359.076,0.012);(383.076,0.019);(395.076,0.011);(413.087,0.062);(414.09,0.013);(431.098,0.179);(432.101,0.043);(447.092,0.016);(449.108,1.0);(450.112,0.242);(451.114,0.051)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(217.049,0.016);(243.029,0.022);(259.061,0.012);(287.056,0.021);(299.055,0.261);(300.06,0.055);(311.055,0.044);(312.059,0.01);(313.07,0.013);(323.056,0.015);(327.05,0.04);(328.056,0.012);(329.066,1.0);(330.07,0.186);(331.072,0.026);(339.087,0.044);(341.066,0.028);(353.066,0.185);(354.07,0.036);(359.077,0.175);(360.081,0.036);(365.066,0.016);(367.082,0.067);(368.085,0.013);(371.077,0.047);(372.081,0.012);(383.077,0.195);(384.081,0.043);(385.086,0.012);(395.077,0.155);(396.081,0.038);(401.088,0.013);(413.088,0.593);(414.091,0.145);(415.094,0.024);(431.098,0.5);(432.102,0.114);(433.104,0.023);(449.108,0.318);(450.112,0.078);(451.115,0.016)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(137.024,0.022);(217.049,0.025);(243.029,0.034);(259.06,0.022);(261.039,0.018);(269.044,0.017);(287.054,0.029);(299.055,0.5);(300.061,0.2);(301.066,0.034);(311.055,0.066);(312.058,0.013);(313.071,0.106);(314.074,0.021);(323.055,0.013);(324.062,0.013);(325.07,0.016);(327.05,0.039);(328.055,0.012);(329.066,1.0);(330.069,0.199);(331.071,0.029);(339.086,0.126);(340.09,0.025);(341.066,0.066);(342.069,0.014);(343.08,0.03);(353.066,0.144);(354.069,0.031);(359.076,0.116);(360.08,0.028);(365.066,0.015);(367.081,0.058);(368.085,0.015);(371.076,0.034);(383.076,0.069);(384.08,0.015);(385.09,0.014);(395.076,0.083);(396.08,0.018);(413.087,0.166);(414.09,0.04);(431.098,0.043)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(445.078,0.077);(447.093,1.0);(448.096,0.309);(449.1,0.057)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(327.05,0.531);(328.054,0.114);(357.06,0.212);(358.064,0.043);(445.077,0.128);(446.081,0.045);(447.092,1.0);(448.096,0.228);(449.098,0.047)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(285.039,0.03);(297.04,0.146);(298.046,0.029);(299.055,0.03);(325.035,0.04);(327.05,1.0);(328.055,0.179);(329.057,0.031);(339.05,0.027);(357.061,0.377);(357.159,0.022);(358.064,0.103);(369.061,0.047);(393.062,0.02);(417.082,0.031);(445.077,0.046);(446.08,0.024);(447.092,0.093);(448.097,0.029)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(285.04,0.08);(297.04,0.302);(298.046,0.141);(299.056,0.261);(327.051,1.0);(328.055,0.213);(339.05,0.082);(357.061,0.279)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(135.044,0.012);(137.024,0.102);(153.019,0.011);(161.023,0.011);(165.018,0.037);(179.034,0.011);(195.028,0.011);(203.034,0.011);(217.049,0.026);(229.049,0.018);(241.049,0.011);(243.029,0.032);(244.072,0.011);(259.06,0.041);(261.039,0.016);(269.044,0.022);(270.051,0.016);(271.06,0.038);(272.067,0.072);(273.072,0.013);(282.052,0.011);(283.059,0.012);(284.067,0.012);(286.046,0.015);(287.054,0.048);(299.055,0.77);(300.062,0.741);(301.066,0.162);(302.07,0.024);(311.055,0.13);(312.059,0.028);(313.071,0.296);(314.074,0.058);(323.054,0.011);(324.062,0.036);(325.07,0.054);(326.075,0.011);(327.05,0.02);(329.066,1.0);(330.069,0.189);(331.072,0.03);(337.071,0.012);(339.086,0.149);(340.09,0.031);(341.065,0.083);(342.069,0.016);(343.081,0.033);(353.066,0.095);(354.07,0.021);(355.078,0.013);(359.076,0.036);(365.066,0.012);(367.081,0.021);(371.077,0.012);(383.076,0.019);(395.076,0.026);(413.087,0.02)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(133.029,0.199);(163.04,0.085);(175.039,0.085);(193.013,0.095);(269.046,0.227);(284.032,0.407);(285.039,0.235);(297.04,0.569);(298.048,0.525);(299.055,0.851);(300.059,0.14);(311.056,0.142);(327.05,1.0);(328.054,0.197);(339.052,0.097);(357.061,0.085)

Food Sources

	Name	Group
	Rooibos tea	Beverages, Non-alcoholic	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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