PhytoHub: Showing entry for (-)-Epicatechin

(-)-Epicatechin

Identification

PhytoHub ID

PHUB000262

Name

(-)-Epicatechin

Systematic Name

(−)-Epicatechin

Synonyms

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
3,5,7,3',4'-Pentahydroxyflavane
Epicatechol

CAS Number

490-46-0

Average Mass

290.271

Monoisotopic Mass

290.079038171

Chemical Formula

C₁₅H₁₄O₆

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

InChI Key

PFTAWBLQPZVEMU-UKRRQHHQSA-N

InChI Identifier

InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1

SMILES

O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.45e-01 g/l
LogS (ALOGPS): -2.65
LogP (ALOGPS): 1.02
Hydrogen Acceptors: 6
Hydrogen Donors: 5
Rotatable Bond Count: 1
Polar Surface Area: 110.38000000000001
Refractivity: 73.99970000000002
Polarizability: 28.70641069763134
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.2897193322428566
pKa (strongest acidic): 9.004573813837975
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavan-3-ols

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Flavonoid metabolites
Metabolite Sub-class: Flavan-3-ols (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Procyanidin dimer B2	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
(-)-Epicatechin	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Flavans
Direct Parent Name: Catechins
Alternative Parent Names: ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Benzene and substituted derivatives", "Catechols", "Hydrocarbon derivatives", "Oxacyclic compounds", "Polyols", "Secondary alcohols"]
External Descriptor Annotations: ["Condensed tannins (Proanthocyanidins)", "Flavan 3-ols", "Flavans, Flavanols and Leucoanthocyanidins", "catechin", "polyphenol"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alcohol", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechin", "Catechol", "Chromane", "Ether", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol", "Secondary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)	Positive	Not Available	View Spectrum	(85.0,0.013013013);(86.0,0.003003003);(87.0,0.009009009);(88.0,0.007007007);(89.0,0.023023023);(90.0,0.005005005);(91.0,0.033033033);(92.0,0.005005005);(93.0,0.007007007);(94.0,0.002002002);(95.0,0.007007007);(96.0,0.003003003);(97.0,0.006006006);(98.0,0.002002002);(99.0,0.02002002);(100.0,0.002002002);(101.0,0.008008008);(102.0,0.006006006);(103.0,0.0560560561);(104.0,0.015015015);(105.0,0.032032032);(106.0,0.004004004);(107.0,0.007007007);(109.0,0.008008008);(110.0,0.002002002);(111.0,0.004004004);(112.0,0.003003003);(113.0,0.003003003);(114.0,0.001001001);(115.0,0.034034034);(116.0,0.007007007);(117.0,0.037037037);(118.0,0.007007007);(119.0,0.032032032);(120.0,0.005005005);(121.0,0.011011011);(122.0,0.002002002);(123.0,0.005005005);(125.0,0.007007007);(126.0,0.002002002);(127.0,0.005005005);(128.0,0.011011011);(129.0,0.021021021);(130.0,0.003003003);(131.0,0.0500500501);(132.0,0.009009009);(133.0,0.1211211211);(134.0,0.02002002);(135.0,0.036036036);(136.0,0.006006006);(137.0,0.008008008);(138.0,0.002002002);(139.0,0.003003003);(141.0,0.005005005);(142.0,0.001001001);(143.0,0.01001001);(144.0,0.002002002);(145.0,0.013013013);(146.0,0.003003003);(147.0,0.2102102102);(148.0,0.038038038);(149.0,0.0610610611);(150.0,0.015015015);(151.0,0.013013013);(152.0,0.003003003);(153.0,0.004004004);(155.0,0.002002002);(157.0,0.005005005);(158.0,0.001001001);(159.0,0.006006006);(160.0,0.007007007);(161.0,0.016016016);(162.0,0.005005005);(163.0,0.022022022);(164.0,0.007007007);(165.0,0.02002002);(166.0,0.007007007);(167.0,0.006006006);(168.0,0.001001001);(169.0,0.002002002);(170.0,0.001001001);(171.0,0.003003003);(173.0,0.006006006);(174.0,0.004004004);(175.0,0.012012012);(176.0,0.006006006);(177.0,0.026026026);(178.0,0.024024024);(179.0,0.4254254254);(180.0,0.0780780781);(181.0,0.03003003);(182.0,0.005005005);(183.0,0.016016016);(184.0,0.003003003);(185.0,0.003003003);(186.0,0.001001001);(187.0,0.003003003);(188.0,0.002002002);(189.0,0.014014014);(190.0,0.006006006);(191.0,0.0880880881);(192.0,0.024024024);(193.0,0.0500500501);(194.0,0.011011011);(195.0,0.014014014);(196.0,0.004004004);(197.0,0.003003003);(198.0,0.001001001);(199.0,0.002002002);(201.0,0.003003003);(202.0,0.002002002);(203.0,0.023023023);(204.0,0.01001001);(205.0,0.021021021);(206.0,0.026026026);(207.0,0.029029029);(208.0,0.009009009);(209.0,0.016016016);(210.0,0.004004004);(211.0,0.004004004);(212.0,0.001001001);(213.0,0.001001001);(214.0,0.001001001);(215.0,0.002002002);(216.0,0.002002002);(217.0,0.007007007);(218.0,0.002002002);(219.0,0.011011011);(220.0,0.007007007);(221.0,0.012012012);(222.0,0.004004004);(223.0,0.017017017);(224.0,0.006006006);(225.0,0.005005005);(226.0,0.002002002);(227.0,0.001001001);(229.0,0.002002002);(230.0,0.001001001);(231.0,0.002002002);(232.0,0.001001001);(233.0,0.009009009);(234.0,0.004004004);(235.0,0.017017017);(236.0,0.007007007);(237.0,0.019019019);(238.0,0.007007007);(239.0,0.023023023);(240.0,0.009009009);(241.0,0.005005005);(242.0,0.002002002);(243.0,0.002002002);(244.0,0.001001001);(245.0,0.001001001);(247.0,0.008008008);(248.0,0.004004004);(249.0,0.0890890891);(250.0,0.036036036);(251.0,0.032032032);(252.0,0.013013013);(253.0,0.023023023);(254.0,0.018018018);(255.0,0.008008008);(256.0,0.004004004);(257.0,0.002002002);(258.0,0.001001001);(259.0,0.002002002);(260.0,0.001001001);(261.0,0.003003003);(262.0,0.001001001);(263.0,0.009009009);(264.0,0.005005005);(265.0,0.0610610611);(266.0,0.022022022);(267.0,0.1691691692);(268.0,0.046046046);(269.0,0.021021021);(270.0,0.004004004);(273.0,0.001001001);(274.0,0.001001001);(275.0,0.001001001);(276.0,0.001001001);(277.0,0.005005005);(278.0,0.002002002);(279.0,0.012012012);(280.0,0.1121121121);(281.0,0.0660660661);(282.0,0.031031031);(283.0,0.045045045);(284.0,0.013013013);(285.0,0.004004004);(286.0,0.001001001);(289.0,0.002002002);(291.0,0.006006006);(292.0,0.003003003);(293.0,0.012012012);(294.0,0.015015015);(295.0,0.013013013);(296.0,0.005005005);(297.0,0.003003003);(298.0,0.001001001);(302.0,0.001001001);(304.0,0.001001001);(305.0,0.003003003);(306.0,0.002002002);(307.0,0.011011011);(308.0,0.005005005);(309.0,0.005005005);(310.0,0.003003003);(311.0,0.004004004);(312.0,0.002002002);(313.0,0.001001001);(314.0,0.001001001);(317.0,0.001001001);(318.0,0.004004004);(319.0,0.001001001);(320.0,0.001001001);(321.0,0.002002002);(322.0,0.001001001);(323.0,0.004004004);(324.0,0.003003003);(325.0,0.006006006);(326.0,0.003003003);(327.0,0.003003003);(328.0,0.001001001);(329.0,0.001001001);(330.0,0.001001001);(331.0,0.002002002);(332.0,0.001001001);(333.0,0.001001001);(335.0,0.002002002);(336.0,0.001001001);(337.0,0.006006006);(338.0,0.006006006);(339.0,0.013013013);(340.0,0.01001001);(341.0,0.008008008);(342.0,0.003003003);(343.0,0.002002002);(344.0,0.001001001);(349.0,0.001001001);(351.0,0.002002002);(352.0,0.008008008);(353.0,0.023023023);(354.0,0.037037037);(355.0,0.4384384384);(356.0,0.2162162162);(357.0,0.0970970971);(358.0,0.031031031);(359.0,0.01001001);(360.0,0.002002002);(365.0,0.003003003);(366.0,0.008008008);(367.0,0.0680680681);(368.0,1.0);(369.0,0.3913913914);(370.0,0.1791791792);(371.0,0.0500500501);(372.0,0.015015015);(373.0,0.004004004);(374.0,0.001001001);(375.0,0.001001001);(380.0,0.001001001);(381.0,0.004004004);(382.0,0.011011011);(383.0,0.0630630631);(384.0,0.029029029);(385.0,0.014014014);(386.0,0.004004004);(387.0,0.001001001);(395.0,0.002002002);(396.0,0.001001001);(397.0,0.001001001);(398.0,0.001001001);(399.0,0.001001001);(400.0,0.001001001);(401.0,0.001001001);(431.0,0.002002002);(432.0,0.001001001);(445.0,0.001001001);(455.0,0.001001001);(456.0,0.001001001);(457.0,0.002002002);(458.0,0.001001001);(459.0,0.002002002);(460.0,0.002002002);(461.0,0.002002002);(462.0,0.001001001);(471.0,0.004004004);(472.0,0.004004004);(473.0,0.002002002);(486.0,0.003003003);(487.0,0.015015015);(488.0,0.009009009);(489.0,0.005005005);(490.0,0.002002002)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,1.301301);(86.0,0.3003);(87.0,0.900901);(88.0,0.700701);(89.0,2.302302);(90.0,0.500501);(91.0,3.303303);(92.0,0.500501);(93.0,0.700701);(94.0,0.2002);(95.0,0.700701);(96.0,0.3003);(97.0,0.600601);(98.0,0.2002);(99.0,2.002002);(100.0,0.2002);(101.0,0.800801);(102.0,0.600601);(103.0,5.605606);(104.0,1.501502);(105.0,3.203203);(106.0,0.4004);(107.0,0.700701);(109.0,0.800801);(110.0,0.2002);(111.0,0.4004);(112.0,0.3003);(113.0,0.3003);(114.0,0.1001);(115.0,3.403403);(116.0,0.700701);(117.0,3.703704);(118.0,0.700701);(119.0,3.203203);(120.0,0.500501);(121.0,1.101101);(122.0,0.2002);(123.0,0.500501);(125.0,0.700701);(126.0,0.2002);(127.0,0.500501);(128.0,1.101101);(129.0,2.102102);(130.0,0.3003);(131.0,5.005005);(132.0,0.900901);(133.0,12.112112);(134.0,2.002002);(135.0,3.603604);(136.0,0.600601);(137.0,0.800801);(138.0,0.2002);(139.0,0.3003);(141.0,0.500501);(142.0,0.1001);(143.0,1.001001);(144.0,0.2002);(145.0,1.301301);(146.0,0.3003);(147.0,21.021021);(148.0,3.803804);(149.0,6.106106);(150.0,1.501502);(151.0,1.301301);(152.0,0.3003);(153.0,0.4004);(155.0,0.2002);(157.0,0.500501);(158.0,0.1001);(159.0,0.600601);(160.0,0.700701);(161.0,1.601602);(162.0,0.500501);(163.0,2.202202);(164.0,0.700701);(165.0,2.002002);(166.0,0.700701);(167.0,0.600601);(168.0,0.1001);(169.0,0.2002);(170.0,0.1001);(171.0,0.3003);(173.0,0.600601);(174.0,0.4004);(175.0,1.201201);(176.0,0.600601);(177.0,2.602603);(178.0,2.402402);(179.0,42.542543);(180.0,7.807808);(181.0,3.003003);(182.0,0.500501);(183.0,1.601602);(184.0,0.3003);(185.0,0.3003);(186.0,0.1001);(187.0,0.3003);(188.0,0.2002);(189.0,1.401401);(190.0,0.600601);(191.0,8.808809);(192.0,2.402402);(193.0,5.005005);(194.0,1.101101);(195.0,1.401401);(196.0,0.4004);(197.0,0.3003);(198.0,0.1001);(199.0,0.2002);(201.0,0.3003);(202.0,0.2002);(203.0,2.302302);(204.0,1.001001);(205.0,2.102102);(206.0,2.602603);(207.0,2.902903);(208.0,0.900901);(209.0,1.601602);(210.0,0.4004);(211.0,0.4004);(212.0,0.1001);(213.0,0.1001);(214.0,0.1001);(215.0,0.2002);(216.0,0.2002);(217.0,0.700701);(218.0,0.2002);(219.0,1.101101);(220.0,0.700701);(221.0,1.201201);(222.0,0.4004);(223.0,1.701702);(224.0,0.600601);(225.0,0.500501);(226.0,0.2002);(227.0,0.1001);(229.0,0.2002);(230.0,0.1001);(231.0,0.2002);(232.0,0.1001);(233.0,0.900901);(234.0,0.4004);(235.0,1.701702);(236.0,0.700701);(237.0,1.901902);(238.0,0.700701);(239.0,2.302302);(240.0,0.900901);(241.0,0.500501);(242.0,0.2002);(243.0,0.2002);(244.0,0.1001);(245.0,0.1001);(247.0,0.800801);(248.0,0.4004);(249.0,8.908909);(250.0,3.603604);(251.0,3.203203);(252.0,1.301301);(253.0,2.302302);(254.0,1.801802);(255.0,0.800801);(256.0,0.4004);(257.0,0.2002);(258.0,0.1001);(259.0,0.2002);(260.0,0.1001);(261.0,0.3003);(262.0,0.1001);(263.0,0.900901);(264.0,0.500501);(265.0,6.106106);(266.0,2.202202);(267.0,16.916917);(268.0,4.604605);(269.0,2.102102);(270.0,0.4004);(273.0,0.1001);(274.0,0.1001);(275.0,0.1001);(276.0,0.1001);(277.0,0.500501);(278.0,0.2002);(279.0,1.201201);(280.0,11.211211);(281.0,6.606607);(282.0,3.103103);(283.0,4.504505);(284.0,1.301301);(285.0,0.4004);(286.0,0.1001);(289.0,0.2002);(291.0,0.600601);(292.0,0.3003);(293.0,1.201201);(294.0,1.501502);(295.0,1.301301);(296.0,0.500501);(297.0,0.3003);(298.0,0.1001);(302.0,0.1001);(304.0,0.1001);(305.0,0.3003);(306.0,0.2002);(307.0,1.101101);(308.0,0.500501);(309.0,0.500501);(310.0,0.3003);(311.0,0.4004);(312.0,0.2002);(313.0,0.1001);(314.0,0.1001);(317.0,0.1001);(318.0,0.4004);(319.0,0.1001);(320.0,0.1001);(321.0,0.2002);(322.0,0.1001);(323.0,0.4004);(324.0,0.3003);(325.0,0.600601);(326.0,0.3003);(327.0,0.3003);(328.0,0.1001);(329.0,0.1001);(330.0,0.1001);(331.0,0.2002);(332.0,0.1001);(333.0,0.1001);(335.0,0.2002);(336.0,0.1001);(337.0,0.600601);(338.0,0.600601);(339.0,1.301301);(340.0,1.001001);(341.0,0.800801);(342.0,0.3003);(343.0,0.2002);(344.0,0.1001);(349.0,0.1001);(351.0,0.2002);(352.0,0.800801);(353.0,2.302302);(354.0,3.703704);(355.0,43.843844);(356.0,21.621622);(357.0,9.70971);(358.0,3.103103);(359.0,1.001001);(360.0,0.2002);(365.0,0.3003);(366.0,0.800801);(367.0,6.806807);(368.0,100.0);(369.0,39.139139);(370.0,17.917918);(371.0,5.005005);(372.0,1.501502);(373.0,0.4004);(374.0,0.1001);(375.0,0.1001);(380.0,0.1001);(381.0,0.4004);(382.0,1.101101);(383.0,6.306306);(384.0,2.902903);(385.0,1.401401);(386.0,0.4004);(387.0,0.1001);(395.0,0.2002);(396.0,0.1001);(397.0,0.1001);(398.0,0.1001);(399.0,0.1001);(400.0,0.1001);(401.0,0.1001);(431.0,0.2002);(432.0,0.1001);(445.0,0.1001);(455.0,0.1001);(456.0,0.1001);(457.0,0.2002);(458.0,0.1001);(459.0,0.2002);(460.0,0.2002);(461.0,0.2002);(462.0,0.1001);(471.0,0.4004);(472.0,0.4004);(473.0,0.2002);(486.0,0.3003);(487.0,1.501502);(488.0,0.900901);(489.0,0.500501);(490.0,0.2002)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,1.501502);(86.0,0.2002);(87.0,1.101101);(88.0,0.500501);(89.0,2.602603);(90.0,0.500501);(91.0,5.205205);(92.0,0.700701);(93.0,0.800801);(94.0,0.1001);(95.0,0.900901);(96.0,0.3003);(97.0,0.700701);(98.0,0.2002);(99.0,2.402402);(100.0,0.2002);(101.0,1.001001);(102.0,0.600601);(103.0,7.207207);(104.0,1.701702);(105.0,4.604605);(106.0,0.600601);(107.0,0.700701);(108.0,0.1001);(109.0,0.800801);(110.0,0.2002);(111.0,0.500501);(112.0,0.1001);(113.0,0.3003);(114.0,0.1001);(115.0,4.504505);(116.0,0.800801);(117.0,4.804805);(118.0,0.800801);(119.0,4.304304);(120.0,0.500501);(121.0,1.201201);(122.0,0.2002);(123.0,0.500501);(124.0,0.1001);(125.0,0.500501);(126.0,0.1001);(127.0,0.600601);(128.0,1.301301);(129.0,3.003003);(130.0,0.4004);(131.0,6.806807);(132.0,1.101101);(133.0,15.615616);(134.0,2.202202);(135.0,4.604605);(136.0,0.600601);(137.0,1.001001);(138.0,0.2002);(139.0,0.3003);(140.0,0.1001);(141.0,0.600601);(142.0,0.1001);(143.0,1.201201);(144.0,0.2002);(145.0,1.601602);(146.0,0.3003);(147.0,27.427427);(148.0,4.604605);(149.0,7.307307);(150.0,1.301301);(151.0,1.601602);(152.0,0.4004);(153.0,0.4004);(154.0,0.1001);(155.0,0.2002);(157.0,0.500501);(158.0,0.1001);(159.0,0.700701);(160.0,0.500501);(161.0,2.002002);(162.0,0.600601);(163.0,2.802803);(164.0,0.800801);(165.0,2.702703);(166.0,0.800801);(167.0,0.700701);(168.0,0.1001);(169.0,0.2002);(170.0,0.1001);(171.0,0.3003);(172.0,0.1001);(173.0,0.600601);(174.0,0.3003);(175.0,1.301301);(176.0,0.500501);(177.0,3.003003);(178.0,2.802803);(179.0,52.252252);(180.0,9.70971);(181.0,3.503504);(182.0,0.4004);(183.0,1.801802);(184.0,0.2002);(185.0,0.3003);(186.0,0.1001);(187.0,0.3003);(188.0,0.1001);(189.0,1.501502);(190.0,0.600601);(191.0,11.611612);(192.0,2.902903);(193.0,6.406406);(194.0,1.101101);(195.0,1.601602);(196.0,0.3003);(197.0,0.2002);(198.0,0.1001);(199.0,0.1001);(201.0,0.2002);(202.0,0.2002);(203.0,2.702703);(204.0,1.001001);(205.0,2.302302);(206.0,3.303303);(207.0,3.903904);(208.0,1.101101);(209.0,1.801802);(210.0,0.4004);(211.0,0.4004);(212.0,0.1001);(213.0,0.1001);(215.0,0.2002);(216.0,0.2002);(217.0,0.700701);(218.0,0.2002);(219.0,1.301301);(220.0,0.600601);(221.0,1.401401);(222.0,0.4004);(223.0,2.002002);(224.0,0.500501);(225.0,0.500501);(226.0,0.1001);(227.0,0.1001);(229.0,0.2002);(230.0,0.1001);(231.0,0.2002);(232.0,0.1001);(233.0,1.001001);(234.0,0.3003);(235.0,1.901902);(236.0,0.600601);(237.0,2.202202);(238.0,0.500501);(239.0,2.902903);(240.0,0.700701);(241.0,0.4004);(242.0,0.1001);(243.0,0.2002);(244.0,0.1001);(245.0,0.2002);(246.0,0.1001);(247.0,0.800801);(248.0,0.3003);(249.0,12.412412);(250.0,3.403403);(251.0,3.703704);(252.0,1.101101);(253.0,2.602603);(254.0,2.002002);(255.0,0.900901);(256.0,0.3003);(257.0,0.1001);(258.0,0.1001);(259.0,0.2002);(260.0,0.1001);(261.0,0.3003);(262.0,0.1001);(263.0,1.001001);(264.0,0.4004);(265.0,7.807808);(266.0,2.502503);(267.0,20.720721);(268.0,5.105105);(269.0,2.202202);(270.0,0.4004);(271.0,0.1001);(272.0,0.1001);(273.0,0.1001);(274.0,0.1001);(275.0,0.2002);(276.0,0.1001);(277.0,0.500501);(278.0,0.3003);(279.0,1.401401);(280.0,11.911912);(281.0,7.307307);(282.0,3.103103);(283.0,4.604605);(284.0,1.201201);(285.0,0.4004);(286.0,0.1001);(289.0,0.1001);(290.0,0.1001);(291.0,0.600601);(292.0,0.4004);(293.0,1.401401);(294.0,1.701702);(295.0,1.101101);(296.0,0.4004);(297.0,0.3003);(298.0,0.1001);(299.0,0.1001);(303.0,0.1001);(305.0,0.2002);(306.0,0.1001);(307.0,1.101101);(308.0,0.4004);(309.0,0.4004);(310.0,0.2002);(311.0,0.3003);(312.0,0.1001);(313.0,0.1001);(314.0,0.1001);(317.0,0.1001);(318.0,0.4004);(319.0,0.2002);(321.0,0.2002);(322.0,0.1001);(323.0,0.3003);(324.0,0.2002);(325.0,0.500501);(326.0,0.2002);(327.0,0.3003);(328.0,0.1001);(329.0,0.1001);(330.0,0.1001);(331.0,0.2002);(332.0,0.1001);(333.0,0.1001);(335.0,0.1001);(336.0,0.1001);(337.0,0.500501);(338.0,0.4004);(339.0,1.201201);(340.0,0.700701);(341.0,0.600601);(342.0,0.3003);(343.0,0.2002);(344.0,0.1001);(351.0,0.1001);(352.0,0.4004);(353.0,1.801802);(354.0,3.303303);(355.0,44.044044);(356.0,19.019019);(357.0,8.708709);(358.0,2.402402);(359.0,0.600601);(360.0,0.1001);(365.0,0.2002);(366.0,0.500501);(367.0,7.607608);(368.0,100.0);(369.0,38.138138);(370.0,17.617618);(371.0,4.604605);(372.0,1.201201);(373.0,0.3003);(374.0,0.1001);(375.0,0.1001);(376.0,0.1001);(377.0,0.1001);(379.0,0.1001);(380.0,0.1001);(381.0,0.4004);(382.0,1.101101);(383.0,7.407407);(384.0,2.802803);(385.0,1.301301);(386.0,0.3003);(387.0,0.1001);(395.0,0.2002);(396.0,0.1001);(397.0,0.2002);(398.0,0.1001);(399.0,0.1001);(427.0,0.1001);(429.0,0.1001);(431.0,0.1001);(443.0,0.1001);(444.0,0.1001);(445.0,0.2002);(446.0,0.1001);(455.0,0.1001);(456.0,0.2002);(457.0,0.2002);(458.0,0.1001);(459.0,0.3003);(460.0,0.2002);(461.0,0.2002);(462.0,0.1001);(470.0,0.1001);(471.0,0.4004);(472.0,0.3003);(473.0,0.2002);(474.0,0.1001);(486.0,0.3003);(487.0,1.501502);(488.0,0.900901);(489.0,0.4004);(490.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(108.020578,2.136072398);(109.0284026,2.367702409);(110.0362272,2.638840337);(111.0440518,1.016329447);(112.0518764,1.102707818);(120.020578,0.9587982882);(121.0284026,4.809396891);(122.0362272,3.897672293);(123.0440518,5.930316412);(124.0518764,1.014615582);(136.0154921,1.499075951);(137.0233167,1.514055316);(138.0311413,5.122846509);(139.0389659,2.011640339);(140.0467905,1.650035992);(149.0233167,0.9427743195);(150.0311413,0.8581268658);(151.0389659,2.01620765);(152.0467905,1.68448453);(153.0546151,0.8198724769);(244.0366187,1.247415339);(246.0522679,2.385344258);(248.0679171,1.174076306);(258.0522679,1.226979021);(259.0600925,1.549661259);(260.0679171,3.206560958);(261.0757417,2.411005947);(262.0835663,1.960150875);(272.0679171,3.599465971);(273.0757417,2.30912903);(290.0784804,1.814718451)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,4.929247603);(75.02606472,4.250311774);(91.05736312,0.9874744431);(113.0417139,3.711623183);(251.091801,5.636736467);(252.0935905,1.348283701);(252.0996256,0.5801787771);(266.1152748,0.792782615);(267.1230994,0.7169085566);(282.1101889,1.390313284);(368.1653619,0.7573639378);(534.2103631,0.6786866256);(548.2260123,1.212967088);(549.2278815,0.6089755563);(549.2338369,0.9294752039);(560.2260123,0.7870701649);(561.2338369,1.112529951);(576.2209264,0.6688540163);(577.228751,3.148504848);(578.2306555,1.617617785);(578.2365756,3.383639111);(579.2292048,0.855931513);(579.2384814,1.738931118);(579.2444002,1.543539691);(580.2370316,0.9201143471);(580.2463073,0.7934926415);(634.244801,0.8780800098);(635.2526256,13.62426695);(636.2543908,8.006921347);(637.2529866,4.697227514);(638.2534376,1.725847641)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(108.020578,2.136072398);(109.0284026,2.367702409);(110.0362272,2.638840337);(111.0440518,1.016329447);(112.0518764,1.102707818);(120.020578,0.9587982882);(121.0284026,4.809396891);(122.0362272,3.897672293);(123.0440518,5.930316412);(124.0518764,1.014615582);(136.0154921,1.499075951);(137.0233167,1.514055316);(138.0311413,5.122846509);(139.0389659,2.011640339);(140.0467905,1.650035992);(149.0233167,0.9427743195);(150.0311413,0.8581268658);(151.0389659,2.01620765);(152.0467905,1.68448453);(153.0546151,0.8198724769);(244.0366187,1.247415339);(246.0522679,2.385344258);(248.0679171,1.174076306);(258.0522679,1.226979021);(259.0600925,1.549661259);(260.0679171,3.206560958);(261.0757417,2.411005947);(262.0835663,1.960150875);(272.0679171,3.599465971);(273.0757417,2.30912903);(290.0784804,1.814718451)
LC-MS/MS	Quattro_QQQ	Positive	low	View Spectrum	(76.074,14.046);(88.309,5.394);(188.302,100.0);(273.727,17.338);(290.171,29.281);(291.284,82.316);(291.779,14.423)
LC-MS/MS	Quattro_QQQ	Positive	med	View Spectrum	(55.436,12.413);(68.412,26.725);(97.455,24.25);(123.039,17.901);(123.533,33.074);(135.275,16.611);(138.365,46.093);(139.107,100.0);(139.601,20.376);(145.039,26.402);(146.276,5.957);(147.635,28.553);(164.693,16.071);(194.112,13.92);(205.979,15.75);(207.339,10.37);(254.687,16.071);(274.84,5.311)
LC-MS/MS	Quattro_QQQ	Positive	high	View Spectrum	(55.436,62.791);(66.682,42.059);(67.67,39.756);(68.659,20.265);(69.648,26.29);(82.872,36.742);(90.781,14.949);(92.635,26.112);(94.242,40.466);(104.871,36.742);(107.095,31.782);(110.803,16.188);(111.545,21.859);(115.623,82.808);(118.466,29.3);(118.713,32.314);(119.578,44.894);(123.162,44.187);(123.657,23.276);(138.859,100.0);(143.309,24.34);(160.737,42.591);(265.938,22.215);(290.048,23.454)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(273.0919,0.025025025);(289.0909,0.1481481481);(290.1104,0.026026026);(291.0992,1.0);(292.1084,0.1591591592);(293.0871,0.039039039);(427.1178,0.014014014);(579.1809,0.042042042);(580.1897,0.017017017);(581.19,0.015015015);(922.2189,0.014014014);(923.2074,0.012012012)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(123.0446,0.7277277277);(139.0397,1.0);(147.0453,0.2262262262);(165.0555,0.1431431431);(291.0868,0.1411411411)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(81.0353,0.0560560561);(83.015,0.0720720721);(93.0355,0.0510510511);(95.051,0.0730730731);(97.0299,0.1271271271);(109.0298,0.4484484484);(121.0298,0.1081081081);(122.0374,0.0780780781);(123.0455,0.4034034034);(125.0248,0.2622622623);(135.0451,0.0520520521);(137.0248,0.1601601602);(149.0249,0.0850850851);(151.0403,0.1681681682);(159.0451,0.0700700701);(161.0612,0.0880880881);(164.0119,0.0590590591);(165.0196,0.0700700701);(179.0356,0.1071071071);(187.041,0.0940940941);(188.0487,0.0720720721);(203.0721,0.2512512513);(205.052,0.1901901902);(221.0833,0.0790790791);(245.0828,0.3643643644);(289.0712,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(287.0566,286.0);(288.0599,29.0);(289.0723,999.0);(290.0756,121.0);(575.1199,23.0);(577.1359,261.0);(578.1394,58.0);(579.1517,520.0);(580.1554,137.0);(581.1573,23.0);(867.214,91.0);(868.2178,40.0);(869.2288,74.0);(870.2328,33.0);(1157.2916,21.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(109.0295,868.0);(121.0293,155.0);(123.0462,395.0);(125.0249,786.0);(137.0247,487.0);(149.0256,345.0);(151.0419,403.0);(165.0244,156.0);(167.0349,187.0);(179.0367,165.0);(188.0493,176.0);(203.0683,227.0);(221.0848,312.0);(227.0683,347.0);(230.0553,157.0);(245.08,999.0);(289.0722,615.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(137.0238,23.0);(243.0673,37.0);(245.0821,173.0);(246.0872,37.0);(259.0621,70.0);(287.0562,170.0);(288.0625,37.0);(289.0726,999.0);(290.0765,122.0);(291.0805,28.0);(303.0512,33.0);(311.0551,38.0);(373.0229,29.0);(433.9962,29.0);(556.0024,56.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(137.0238,23.0);(243.0673,37.0);(245.0821,173.0);(246.0872,37.0);(259.0621,70.0);(287.0562,170.0);(288.0625,37.0);(289.0726,999.0);(290.0765,122.0);(291.0805,28.0);(303.0512,33.0);(311.0551,38.0);(373.0229,29.0);(433.9962,29.0);(556.0024,56.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(287.0566,286.0);(288.0599,29.0);(289.0723,999.0);(290.0756,121.0);(575.1199,23.0);(577.1359,261.0);(578.1394,58.0);(579.1517,520.0);(580.1554,137.0);(581.1573,23.0);(867.214,91.0);(868.2178,40.0);(869.2288,74.0);(870.2328,33.0);(1157.2916,21.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(109.0295,868.0);(121.0293,155.0);(123.0462,395.0);(125.0249,786.0);(137.0247,487.0);(149.0256,345.0);(151.0419,403.0);(165.0244,156.0);(167.0349,187.0);(179.0367,165.0);(188.0493,176.0);(203.0683,227.0);(221.0848,312.0);(227.0683,347.0);(230.0553,157.0);(245.08,999.0);(289.0722,615.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(137.0238,23.0);(243.0673,37.0);(245.0821,173.0);(246.0872,37.0);(259.0621,70.0);(287.0562,170.0);(288.0625,37.0);(289.0726,999.0);(290.0765,122.0);(291.0805,28.0);(303.0512,33.0);(311.0551,38.0);(373.0229,29.0);(433.9962,29.0);(556.0024,56.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(243.0642,20.0);(245.0806,117.0);(259.0613,53.0);(287.0552,80.0);(289.0721,999.0);(290.0748,133.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.9862,5.0);(116.9288,10.0);(187.1339,2.0);(255.1206,7.0);(268.0379,3.0);(283.0623,999.0);(284.0652,159.0);(285.0665,24.0);(286.0705,2.0);(304.9127,2.0);(317.0913,4.0);(325.0718,16.0);(326.0746,3.0);(355.0843,2.0);(367.0825,4.0);(445.1163,257.0);(446.1187,59.0);(447.1217,13.0);(448.1226,3.0);(481.0917,25.0);(482.0942,7.0);(483.0895,9.0);(484.0931,3.0);(491.1222,794.0);(492.1253,199.0);(493.1268,37.0);(494.1273,7.0);(495.1279,2.0);(513.1025,16.0);(514.1041,5.0);(521.1309,4.0);(533.1321,4.0);(534.1318,2.0);(535.1464,8.0);(536.151,3.0);(543.0908,2.0);(547.0421,3.0);(556.002,16.0);(557.0065,2.0);(559.1084,4.0);(563.0504,6.0);(564.0495,3.0);(565.1127,2.0);(575.0698,7.0);(576.0789,2.0);(581.0887,14.0);(582.092,4.0);(583.0986,2.0);(585.0316,2.0);(588.0461,2.0);(590.0365,11.0);(591.0393,4.0);(633.2549,28.0);(634.2594,11.0);(635.2599,4.0);(640.018,3.0);(643.0598,5.0);(644.0627,2.0);(649.0741,2.0);(649.0817,2.0);(655.9966,2.0);(658.0225,3.0);(659.0336,2.0);(661.0332,2.0);(661.2513,4.0);(662.2546,2.0);(666.0209,9.0);(667.0219,2.0);(701.2508,2.0);(708.0086,2.0);(711.046,3.0);(723.2246,2.0);(729.1864,18.0);(730.1885,8.0);(731.1937,3.0);(823.8533,2.0);(836.0686,2.0);(840.7912,2.0);(855.9097,2.0);(857.7187,2.0);(865.2261,2.0);(884.8824,2.0);(891.2405,59.0);(891.325,2.0);(892.2427,31.0);(893.2443,10.0);(893.7655,2.0);(894.2539,4.0);(895.2749,2.0);(899.3347,2.0);(913.2244,3.0);(914.2367,2.0);(927.2161,7.0);(927.2913,2.0);(928.224,4.0);(929.2134,3.0);(930.2189,3.0);(932.4312,2.0);(935.8685,2.0);(937.2467,169.0);(938.2484,86.0);(939.2521,32.0);(940.2552,9.0);(941.2572,3.0);(942.0488,2.0);(943.2629,2.0);(944.1545,4.0);(944.2686,2.0);(945.1564,3.0);(948.278,2.0);(958.6356,2.0);(959.2267,25.0);(960.2299,13.0);(961.2347,5.0);(962.2344,2.0);(971.2228,2.0);(973.58,2.0);(975.1946,6.0);(975.2538,2.0);(976.2053,4.0);(977.1951,2.0);(979.2403,2.0);(979.7072,2.0);(980.2534,2.0);(981.2101,3.0);(981.2685,2.0);(982.2081,2.0);(983.213,2.0);(989.1867,2.0);(990.1589,3.0);(991.1679,3.0);(991.2037,2.0);(993.1434,3.0);(994.1577,2.0);(995.1603,2.0);(996.1619,2.0);(997.1819,2.0);(1003.2536,2.0);(1003.2811,2.0);(1004.0159,2.0);(1005.2097,2.0);(1007.1756,2.0);(1009.1783,3.0);(1010.1748,2.0);(1010.2215,2.0);(1012.1595,2.0);(1021.1969,3.0);(1022.199,2.0);(1023.1864,2.0);(1027.2262,3.0);(1028.1965,2.0);(1029.2064,2.0);(1029.413,2.0);(1031.1594,2.0);(1032.1603,2.0);(1033.1571,2.0);(1034.2814,2.0);(1036.125,2.0);(1040.1451,2.0);(1041.1302,2.0);(1043.1786,4.0);(1044.1859,3.0);(1045.1864,2.0);(1049.1906,3.0);(1050.1937,2.0);(1050.6738,2.0);(1054.2771,2.0);(1058.1577,3.0);(1059.1401,2.0);(1060.1577,2.0);(1061.1536,2.0);(1063.8586,2.0);(1068.2489,2.0);(1071.3231,2.0);(1075.0812,2.0);(1075.1127,2.0);(1079.3854,5.0);(1080.1274,2.0);(1080.3816,4.0);(1081.3982,2.0);(1092.9387,2.0);(1101.0763,2.0);(1101.3706,2.0);(1103.3524,2.0);(1107.1912,2.0);(1107.3854,2.0);(1109.4905,2.0);(1111.1536,2.0);(1112.1648,2.0);(1113.1635,2.0);(1114.2423,2.0);(1114.9203,2.0);(1120.6617,2.0);(1125.8713,2.0);(1130.1021,2.0);(1132.6705,2.0);(1133.2866,2.0);(1134.1078,2.0);(1134.8181,2.0);(1136.6575,2.0);(1161.2571,2.0);(1165.3918,2.0);(1170.7145,2.0);(1179.1544,2.0);(1181.7922,2.0);(1191.2651,2.0);(1200.2644,2.0);(1214.494,2.0);(1233.0597,2.0);(1235.957,2.0);(1237.7148,2.0);(1252.4552,2.0);(1260.4205,2.0);(1282.1492,2.0);(1337.3684,40.0);(1338.3687,30.0);(1339.3739,14.0);(1340.3702,5.0);(1340.98,2.0);(1341.38,2.0);(1359.3593,2.0);(1359.4117,2.0);(1360.361,2.0);(1382.3706,2.0);(1383.3694,20.0);(1384.376,15.0);(1385.3868,7.0);(1386.3824,4.0);(1387.3928,2.0);(1390.1798,2.0);(1390.2814,3.0);(1391.2906,3.0);(1392.2706,3.0);(1405.3535,12.0);(1406.3568,9.0);(1407.3533,5.0);(1408.3481,3.0);(1408.3892,2.0);(1421.3132,3.0);(1422.3251,3.0);(1423.2985,2.0);(1423.3217,2.0);(1427.3335,3.0);(1428.3319,3.0);(1428.3558,3.0);(1443.2958,3.0);(1444.3,3.0);(1449.3656,2.0);(1467.3312,3.0);(1468.3271,2.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(119.044594,517.0);(123.039482,13010.0);(124.042793,673.0);(127.034721,389.0);(135.039749,245.0);(137.056046,266.0);(139.034607,41025.0);(140.037094,1806.0);(143.044434,533.0);(145.067337,105.0);(147.038681,8052.0);(148.041855,525.0);(151.03447,1062.0);(153.050583,446.0);(157.082565,124.0);(161.054825,3294.0);(162.059357,238.0);(163.033493,984.0);(165.049438,5937.0);(166.05278,390.0);(169.043655,940.0);(177.050415,434.0);(179.063736,2457.0);(180.067322,190.0);(181.043457,888.0);(189.049545,1013.0);(203.063995,278.0);(205.078964,449.0);(207.059753,10170.0);(208.060089,734.0);(231.059311,334.0);(249.066849,710.0);(255.056442,136.0);(273.069366,497.0);(291.07666,909.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(123.034348,252.0);(125.01284,511.0);(137.013367,378.0);(139.030319,107.0);(149.015381,129.0);(151.031021,453.0);(161.049149,136.0);(165.011383,209.0);(179.027206,195.0);(187.032013,172.0);(188.042114,101.0);(203.065918,427.0);(205.042526,335.0);(221.075592,183.0);(245.076874,573.0);(289.06369,605.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(245.0817,4.79085);(289.072,100.0);(290.0752,19.347357);(291.0774,2.703351)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(109.0297,5.53427);(123.0449,5.065986);(125.0242,14.133674);(137.0244,6.194125);(139.0401,2.59685);(149.0245,5.38527);(151.0401,7.024266);(161.0605,3.746275);(162.0323,2.405279);(165.0197,6.875266);(167.0347,2.93742);(179.0351,11.089825);(187.0402,4.512559);(188.0474,3.42699);(202.0633,4.108131);(203.0714,14.921243);(204.075,3.150277);(205.0505,18.624947);(206.0542,2.660707);(221.0817,9.237974);(227.071,4.512559);(245.0821,58.386547);(246.0853,9.557258);(247.0614,4.40613);(271.0618,2.298851);(289.0719,100.0);(290.0754,19.412516);(291.0772,3.341848)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(95.0505,11.744084);(97.0296,13.05872);(109.0294,53.98773);(121.0291,26.468011);(122.0365,12.357581);(123.0449,100.0);(125.024,85.013146);(137.0243,44.609991);(138.0316,12.971078);(139.0395,21.822962);(149.0244,35.670465);(150.0319,11.831727);(151.0399,60.122699);(159.0453,12.883436);(161.0615,26.205083);(162.0318,13.584575);(163.0395,15.162138);(164.0108,21.121823);(165.0193,21.647677);(167.0351,9.290096);(175.0397,11.656442);(179.0346,23.488168);(187.0394,21.910605);(188.0473,18.49255);(202.0633,21.560035);(203.0712,78.089395);(205.0505,55.477651);(221.0815,87.116564);(222.0863,11.393514);(227.0706,13.672217);(245.0814,40.92901);(289.0715,13.75986)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(95.0499,7.063197);(97.0293,14.020181);(109.0295,49.336166);(121.0284,16.463091);(122.0369,22.145512);(123.0446,100.0);(124.0479,8.019118);(125.0243,26.022305);(135.0445,9.930961);(137.0243,25.809878);(138.0311,9.453001);(139.0398,17.737653);(145.0293,8.868826);(149.0241,16.994158);(150.031,16.728625);(151.0394,32.342007);(159.0453,10.568242);(160.052,7.01009);(161.0606,9.771641);(162.032,6.638343);(163.04,7.381837);(164.0109,11.046203);(165.0187,6.213489);(175.076,9.240574);(177.0551,5.469995);(187.0398,11.152416);(188.0467,6.53213);(201.0548,6.107276);(203.0708,13.436006);(205.0511,6.85077);(221.0817,17.100372)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(95.0498,9.969789);(97.0297,15.407855);(108.0212,12.688822);(109.0295,69.108761);(121.0291,22.432024);(122.0372,40.407855);(123.0448,100.0);(124.0485,7.779456);(125.0238,13.293051);(135.0448,15.483384);(137.0243,32.024169);(139.0401,12.76435);(145.0301,9.592145);(149.0243,12.537764);(150.032,18.429003);(151.0394,17.069486);(159.045,14.350453);(173.0597,11.02719);(201.0573,7.930514)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(81.0353,5.575867);(83.015,7.225434);(93.0355,5.085983);(95.051,7.34104);(97.0299,12.695087);(109.0298,44.797688);(121.0298,10.823699);(122.0374,7.846821);(123.0455,40.354046);(125.0248,26.213873);(135.0451,5.184249);(137.0248,16.033237);(149.0249,8.540462);(151.0403,16.813584);(159.0451,7.030347);(161.0612,8.800578);(164.0119,5.90896);(165.0196,7.020954);(179.0356,10.700867);(187.041,9.458092);(188.0487,7.193642);(203.0721,25.122832);(205.052,18.988439);(221.0833,7.947977);(245.0828,36.481214);(289.0712,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(109.305302,0.548771);(125.3435,1.613127);(137.353269,1.58969);(151.383274,0.817055);(161.42768,1.588373);(164.36672,0.50398);(165.3789,1.832618);(167.356459,1.046684);(175.422592,0.553313);(179.366305,7.278608);(187.365114,1.006057);(188.362335,0.807317);(203.428412,6.079174);(205.283321,32.972445);(217.310243,0.724189);(227.325294,1.695662);(231.251452,6.572293);(245.165843,100.0);(247.12193,5.966898);(271.123561,3.807112)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(109.290147,0.538684);(125.324765,1.429635);(137.344764,1.494876);(151.37216,0.81641);(161.417499,1.477329);(165.362194,1.733945);(167.344808,0.953252);(175.418308,0.508456);(179.36313,6.851075);(187.366821,0.964928);(188.356731,0.754512);(203.431242,5.468485);(205.275334,33.559236);(217.301836,0.695414);(227.31856,1.499843);(231.246194,6.241742);(245.172286,100.0);(247.120898,5.98778);(271.116087,3.861309)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.07865,0.625005);(170.092165,4.826933);(183.069143,100.0);(184.060366,14.262169);(197.06774,9.422936);(198.065198,5.101517);(211.09046,1.272912);(212.080809,1.679593);(225.128657,2.338962);(226.085815,1.148063);(239.149088,2.667768);(240.115079,0.78153);(253.162682,1.208741);(261.291176,5.490451);(289.131044,51.337587);(325.262414,2.825518)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.109869,1.523995);(183.103452,32.304796);(184.102874,4.671876);(197.110309,2.850338);(198.105284,1.550861);(212.133231,0.565163);(225.167226,0.740651);(239.181459,0.850954);(261.31799,1.796334);(289.121751,100.0);(325.257912,0.912116)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.164636,0.531643);(183.151836,11.17851);(184.163035,1.588977);(197.168505,1.050828);(198.160052,0.559005);(261.392893,0.62289);(289.133189,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(203.0963,2.23313);(205.06607,1.564449);(245.117809,7.510694);(287.107912,0.657966);(289.125419,100.0);(290.124859,0.726621);(330.132568,0.67747);(331.141801,3.019404);(423.18198,0.574361);(425.172888,0.722349);(426.147408,1.020147);(427.137509,3.128929);(439.191845,0.55135);(440.161437,1.913657);(451.154972,3.447316);(469.185802,11.088885);(516.241909,0.529091);(517.583344,0.544704);(534.233734,3.547383);(535.237374,2.196514);(556.289153,0.727844);(560.196748,2.807268);(561.219737,2.182154)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(179.012362,0.546479);(203.09444,2.385967);(205.075688,1.701373);(245.117473,7.356366);(288.137203,0.578614);(289.119762,100.0);(290.123151,0.695365);(329.150534,0.547652);(330.128989,0.576299);(331.140804,3.046016);(425.167419,0.685422);(426.140066,0.860448);(427.144255,3.480361);(439.167029,0.613194);(440.167092,1.730408);(450.281253,0.507163);(451.153181,3.64225);(469.182114,10.474303);(516.240041,0.613632);(534.244146,3.086715);(535.221871,2.460476);(556.243018,0.541811);(560.190559,2.589574);(561.254117,2.116052)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(109.055006,1.043334);(123.066141,0.688003);(125.059817,3.044737);(135.090352,0.618235);(137.083166,2.987396);(151.101394,1.511221);(159.106136,0.690766);(161.124543,2.37276);(164.064653,0.813029);(165.088872,3.459697);(167.075383,1.878567);(175.117663,0.889971);(179.09718,12.950735);(187.095878,1.36661);(188.117012,1.07746);(201.166379,0.579688);(203.13693,7.867915);(205.11892,34.13188);(217.130289,0.918289);(227.130767,1.74006);(231.076675,6.668764);(245.124653,100.0);(247.105934,5.812747);(271.101069,4.426097)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.071561,4.500566);(183.089809,100.0);(184.052091,21.084593);(185.091329,1.610597);(197.124193,6.662446);(198.078289,4.286736);(211.079754,1.020688);(212.121958,2.241083);(225.109213,1.940526);(226.120048,1.842793);(239.16877,2.20996);(240.097209,1.224767);(247.260169,5.167578);(248.166672,0.606837);(248.416672,0.535343);(253.145335,0.835663);(254.083339,0.697971);(254.333339,0.537722);(311.287672,2.111311)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.240148,2.815645);(183.192874,100.0);(184.110822,10.830486);(197.13218,4.815975);(198.116079,3.019757);(211.135162,0.846512);(212.142016,1.333739);(225.158915,1.631687);(226.13687,0.998596);(239.169257,1.552215);(240.15591,0.649863);(247.295886,4.012291);(253.177596,0.57235);(311.28506,1.715705)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.0438,15.402398);(124.0473,1.106435);(139.0387,40.746764);(140.0421,2.216058);(147.0437,1.14948);(151.0388,1.616606);(165.0543,14.955998);(166.0577,1.336012);(169.0492,1.522543);(207.0645,1.589503);(249.0754,1.442829);(273.0754,3.000446);(291.0859,100.0);(292.0892,15.391238);(293.0912,2.160258)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.0442,39.063208);(124.0474,2.303437);(127.0391,1.070101);(139.0391,100.0);(140.0425,6.441008);(147.0442,14.913394);(148.0477,1.208398);(151.0391,2.480276);(161.0598,3.346332);(163.039,3.573048);(165.0547,21.046069);(166.058,1.99737);(169.0496,3.230706);(179.0702,4.473111);(181.0494,2.727396);(189.0548,1.856806);(205.0859,1.187993);(207.0651,27.362383);(208.0684,3.146821);(249.0756,2.729664);(273.0756,2.221819);(291.086,5.958103)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(119.049,4.108496);(123.0439,52.023565);(124.0474,3.36596);(127.039,1.313246);(137.0234,1.319383);(139.0388,100.0);(140.0422,6.507932);(143.0491,3.350618);(147.044,26.755853);(148.0474,2.111012);(151.0387,2.335);(153.0546,1.399159);(159.0439,1.135283);(161.0597,18.971495);(162.063,1.540303);(163.0389,2.933325);(165.0545,9.143629);(177.0545,2.807524);(179.0699,10.815869);(180.0736,1.083121);(181.0492,1.070848);(189.0544,5.265257);(207.0649,15.390752);(208.0687,1.791906)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(111.0443,4.229707);(115.0544,2.580698);(119.0492,10.17026);(123.0442,79.890341);(124.0476,5.103681);(127.0392,1.644886);(131.0494,1.183164);(133.065,2.745599);(135.0441,1.302717);(137.0235,3.182586);(139.0391,100.0);(140.0425,6.814528);(143.0493,6.85163);(147.0442,28.622666);(148.0478,2.539473);(151.039,1.352187);(153.0548,1.43876);(159.0442,1.216144);(161.0598,15.987138);(162.0635,1.409902);(163.0392,2.799192);(165.0546,4.406975);(177.0546,2.073628);(179.0702,3.170219);(189.0544,4.2833);(207.0651,1.686111)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(91.0538,2.380231);(93.0327,1.705111);(95.0489,1.895529);(105.0339,2.367248);(107.0494,1.203099);(111.0442,7.906695);(115.0542,5.435582);(119.049,14.259748);(120.0526,1.159822);(121.0286,1.843597);(123.044,100.0);(124.0475,6.422296);(127.0389,1.280997);(131.0491,2.185485);(133.0647,2.838967);(137.0234,3.379928);(139.0389,64.668715);(140.0423,4.050721);(143.0492,6.785822);(147.044,20.720994);(148.0475,2.046999);(161.0595,6.34007);(163.0385,2.449474);(189.0546,1.35024)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.043,47.07288);(139.039,75.38829);(140.042,0.95062);(147.044,3.36121);(151.039,4.7511);(163.042,0.81362);(165.058,32.79172);(169.052,3.21266);(181.054,0.93708);(207.069,1.42095);(249.08,2.2951);(273.077,5.04182);(291.086,100.0);(291.231,5.37634);(292.09,2.55556)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(95.052,1.20487);(119.049,2.54522);(123.043,57.21032);(139.039,100.0);(140.042,1.79913);(147.043,22.08863);(151.039,3.14566);(161.062,5.28514);(163.042,2.86233);(165.057,17.15946);(169.052,2.42535);(179.073,4.26807);(181.055,1.65637);(189.058,1.74827);(207.068,16.69815);(249.079,1.73375)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(55.019,3.71605);(65.039,0.79375);(67.055,2.23094);(68.997,2.191);(77.038,0.6342);(83.051,1.40741);(91.055,2.81772);(93.034,2.21496);(95.051,3.32389);(97.028,0.87364);(105.035,1.61801);(107.051,0.98765);(111.043,6.90414);(115.054,4.44953);(119.049,16.21641);(121.029,1.53014);(123.043,100.0);(124.046,1.92229);(127.038,1.61002);(131.048,1.28903);(133.064,3.313);(135.044,1.02977);(137.029,4.0472);(139.039,83.58751);(140.042,1.57807);(143.049,7.6398);(147.043,30.84967);(148.047,0.90051);(151.056,3.32825);(153.055,1.04357);(159.045,1.14234);(161.061,16.99346);(163.043,2.22004);(165.057,3.34568);(177.057,1.95352);(179.073,3.04285);(189.059,3.46187);(207.069,1.53014)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(53.042,1.57635);(55.019,13.22618);(65.039,7.29851);(67.018,3.07692);(67.055,5.02296);(68.998,9.70379);(69.033,1.91389);(71.014,0.98932);(77.039,7.98852);(79.055,1.2744);(81.07,0.81711);(83.051,3.10907);(91.055,14.19059);(93.035,5.124);(95.051,4.12514);(97.03,1.64983);(103.056,1.59931);(105.036,7.19518);(107.05,1.37773);(111.044,12.21584);(115.054,17.48565);(119.049,20.53961);(121.032,1.97704);(123.043,100.0);(124.047,2.30999);(127.039,0.88025);(131.048,2.7589);(133.062,2.44891);(137.026,3.25258);(139.039,27.70379);(143.048,4.93685);(147.043,13.7543);(161.062,3.74627);(163.042,1.37773)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(119.048,0.3003);(123.042,27.32733);(124.047,1.7017);(127.037,0.4004);(135.046,0.1001);(137.058,0.3003);(138.895,0.1001);(138.931,0.1001);(138.965,0.1001);(139.037,100.0);(139.157,0.1001);(139.234,0.1001);(140.041,5.2052);(141.045,0.1001);(143.051,0.1001);(147.042,12.41241);(148.045,0.6006);(151.037,3.3033);(151.094,0.1001);(152.042,0.3003);(153.053,0.7007);(161.059,1.1011);(163.038,1.7017);(164.036,0.1001);(165.052,28.82883);(166.056,2.002);(167.032,0.1001);(169.047,3.7037);(170.056,0.1001);(179.065,0.9009);(181.047,1.9019);(182.048,0.2002);(189.051,0.7007);(203.064,0.3003);(205.082,0.9009);(206.089,0.1001);(207.062,11.31131);(208.067,1.001);(213.05,0.4004);(227.063,0.2002);(231.061,1.7017);(232.066,0.1001);(233.041,0.1001);(244.067,0.1001);(245.076,0.2002);(249.072,8.30831);(250.075,0.9009);(255.062,0.8008);(273.072,10.51051);(274.075,1.1011);(289.065,0.1001);(290.07,0.5005);(291.082,69.76977);(291.247,0.1001);(291.548,0.1001);(292.086,7.90791);(292.172,0.1001);(292.217,0.1001);(293.095,0.2002)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(119.048,0.8008);(121.028,0.1001);(123.043,27.12713);(124.046,2.002);(127.039,0.5005);(135.043,0.5005);(137.02,0.2002);(137.059,0.4004);(138.954,0.1001);(139.037,100.0);(139.203,0.1001);(140.042,5.3053);(141.044,0.1001);(143.049,0.9009);(147.043,20.62062);(148.046,1.7017);(151.037,2.6026);(152.046,0.2002);(153.052,0.9009);(159.042,0.2002);(161.058,6.30631);(162.061,0.5005);(163.037,2.002);(164.04,0.2002);(165.052,12.81281);(166.055,0.9009);(167.029,0.2002);(169.047,2.6026);(177.054,0.9009);(178.062,0.1001);(179.068,5.70571);(180.072,0.3003);(181.047,2.002);(185.057,0.1001);(187.068,0.1001);(189.052,2.7027);(190.053,0.2002);(203.066,0.5005);(205.083,1.001);(206.088,0.1001);(207.062,25.52552);(208.066,2.4024);(213.052,0.6006);(227.066,0.3003);(231.064,1.8018);(245.073,0.3003);(249.071,3.3033);(250.077,0.4004);(255.062,0.8008);(273.073,3.003);(274.072,0.2002);(291.082,3.5035);(292.087,0.3003)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(111.04,0.2002);(115.053,0.5005);(119.048,2.4024);(120.052,0.1001);(121.029,0.1001);(123.043,35.23523);(124.046,2.2022);(125.055,0.1001);(127.038,0.5005);(131.051,0.3003);(133.025,0.1001);(133.064,0.7007);(135.045,0.8008);(137.025,0.8008);(137.054,1.001);(138.956,0.1001);(139.038,100.0);(139.235,0.1001);(139.282,0.1001);(140.042,5.70571);(141.051,0.1001);(143.048,4.5045);(144.049,0.4004);(145.068,0.3003);(147.043,28.12813);(148.047,2.002);(149.059,0.4004);(151.04,2.1021);(151.073,0.5005);(153.053,1.6016);(157.063,0.1001);(159.041,0.8008);(161.058,18.51852);(162.06,1.1011);(163.039,2.5025);(164.044,0.1001);(165.053,6.70671);(165.11,0.1001);(166.055,0.5005);(169.048,1.001);(171.048,0.2002);(171.079,0.1001);(172.048,0.1001);(177.053,3.1031);(178.057,0.2002);(179.069,9.40941);(180.072,0.8008);(181.054,0.7007);(185.059,0.2002);(187.072,0.2002);(189.052,5.60561);(190.057,0.4004);(199.077,0.2002);(203.069,0.8008);(205.084,0.6006);(206.087,0.1001);(207.063,17.91792);(208.065,1.3013);(213.052,0.6006);(227.063,0.5005);(230.053,0.1001);(231.063,0.3003);(244.941,0.1001);(245.083,0.4004);(249.071,0.3003);(255.061,0.4004);(258.05,0.1001);(273.072,0.6006)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(94.530678,1.132555);(108.531212,1.120632);(109.815521,1.223868);(113.453415,1.034004);(118.686882,1.040812);(123.044113,97.987575);(139.039093,100.0);(147.04422,11.983919);(148.509491,0.953961);(151.039139,24.781469);(152.226196,1.051045);(165.05484,44.611552);(167.568771,1.136617);(168.712692,1.138214);(169.0495,1.662804);(205.065735,3.745277);(220.537109,1.31534);(233.060287,34.052021);(235.076401,7.100407);(245.059525,2.550973);(248.079147,1.011012);(249.075974,5.161814);(261.055145,35.603704);(263.071442,33.330808);(273.076141,37.111439);(280.238495,1.106918);(290.568237,1.392524)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(92.773895,1.365333);(109.756317,1.551733);(110.956528,1.30873);(123.044182,95.263284);(134.013962,1.21781);(139.039154,100.0);(147.044373,13.824202);(151.039215,25.86784);(160.447876,1.263624);(165.054886,43.037896);(169.04982,2.321879);(179.598923,1.275592);(188.463257,1.401859);(195.504578,1.338925);(196.128952,1.32909);(205.06543,3.084529);(214.451965,1.399167);(233.060425,37.347695);(235.076782,7.842356);(249.075821,6.032742);(252.652252,1.365978);(258.599823,1.162551);(261.05542,38.198184);(263.07196,35.117748);(273.076233,35.426276)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(84.717804,3.846577);(89.713921,4.400722);(90.496994,4.554952);(91.757294,3.999732);(94.104973,4.249982);(116.288925,3.82179);(123.044113,94.497337);(139.038986,100.0);(141.30159,3.717442);(147.044403,19.06322);(151.039047,25.011025);(165.054596,46.594052);(171.944092,5.090717);(173.911179,4.266348);(177.702072,4.22681);(205.064651,6.244975);(220.540085,5.098466);(233.060211,70.359179);(235.075897,18.877884);(238.535934,4.2983);(249.077606,6.689812);(254.230469,4.28224);(259.203888,3.829116);(261.055176,65.893567);(263.071411,73.119637);(273.07547,43.983644)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(100.408119,1.347137);(113.015289,1.283415);(113.380035,1.324909);(114.678474,1.394707);(116.178246,1.322651);(116.590652,1.381639);(123.044128,86.046239);(130.747604,1.200085);(139.039139,100.0);(140.780228,1.269777);(141.226562,1.348179);(147.044235,15.321092);(151.039001,22.654454);(165.054901,45.524346);(166.884872,1.365374);(169.049637,2.300456);(202.344345,1.038067);(205.065842,3.039336);(207.064194,1.368791);(233.060272,28.442344);(235.076141,5.077468);(245.561874,1.260338);(249.076492,6.188825);(261.055298,31.981098);(263.071838,30.047783);(273.076508,32.624489);(297.301361,1.159795)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.0446,72.79558);(139.0397,100.0);(147.0453,22.596685);(165.0555,14.342541);(291.0868,14.121547)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(88.007438,0.529497);(118.019265,0.989813);(122.048446,2.628637);(122.986896,100.0);(139.005015,91.729135);(147.016958,8.147266);(151.017947,26.161968);(165.042138,43.33918);(169.035469,2.089745);(181.062285,0.512978);(212.984699,6.631813);(228.247047,0.565526);(242.285527,23.44596);(243.286661,5.054954);(249.10442,0.997099);(251.666672,0.698047);(252.083339,0.584329);(259.161556,13.504326);(269.172124,0.531393);(272.324698,6.716728);(273.093352,20.816883)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(88.001459,0.53603);(106.040092,0.539002);(118.019167,1.276971);(122.041598,3.328058);(122.98576,100.0);(139.007661,92.237519);(147.01622,8.509019);(151.014718,25.403544);(165.042453,42.347516);(169.036243,2.08713);(181.042764,0.55213);(212.981518,3.972253);(228.252791,0.552623);(242.282379,28.225985);(243.288756,6.05637);(249.094674,1.075022);(251.666672,0.842933);(252.000005,0.592693);(254.276453,0.575231);(259.158742,11.707522);(269.156876,0.633214);(272.326303,7.55384);(273.094519,21.138989)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(122.99063,0.772968);(139.014514,0.709865);(212.957102,100.0);(230.780773,1.662376);(272.996494,0.909578)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(123.043388,0.707428);(139.060479,0.68193);(213.002331,100.0);(230.757499,1.501378)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(123.068398,100.0);(137.112749,0.574567);(139.06755,95.534672);(147.083094,8.198341);(151.081212,25.340473);(165.097963,44.333543);(169.091943,2.118085);(249.140807,0.914884);(273.127127,17.393094)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(123.124813,100.0);(139.110775,87.215322);(147.102293,6.388965);(151.102271,19.255456);(165.107542,33.772737);(169.104528,1.597556);(242.325209,2.012991);(249.149385,0.760688);(272.416673,1.173432);(273.135606,13.194272)
LC-MS/MS	Not Available	positive	Not Available	View 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3322);(1435.391846,1.263177);(1435.886353,0.690658);(1436.934204,0.949655);(1438.171875,0.792893);(1447.73999,1.18366);(1449.030884,1.456289);(1449.541504,1.567612);(1450.550415,1.165485);(1462.202637,0.770174);(1462.724487,0.804253);(1462.944458,0.8247);(1463.243652,0.995093);(1463.761475,0.747455);(1464.806885,1.133679);(1472.276733,0.647492);(1472.598389,1.133679);(1474.152466,0.933751);(1475.714722,0.931479);(1476.21582,0.765631);(1477.274658,1.010996);(1484.042603,0.847419);(1484.56311,0.879226);(1485.103394,1.049618);(1485.608521,0.751999);(1486.38562,0.745184);(1486.668579,1.522174);(1487.730713,1.090513);(1487.955566,1.088241);(1488.255615,0.731552);(1488.440674,1.190476);(1488.790771,0.572519);(1491.089111,0.64522);(1497.668823,0.736096);(1498.949463,0.704289);(1510.276245,0.847419);(1511.856934,0.822428);(1512.355347,0.661123);(1514.736328,0.665667);(1515.01123,1.181389);(1522.938232,0.981461);(1524.239014,0.826972);(1524.5177,1.365413);(1524.785034,0.897401);(1537.251343,0.886041);(1537.773315,1.19502);(1538.531982,1.047346);(1543.628784,1.065522);(1549.736206,0.656579);(1561.253052,0.983733);(1587.05957,0.983733);(1588.676147,1.038259);(1589.188477,0.731552);(1589.971924,0.797437);(1601.372559,0.781534);(1602.755493,0.842875);(1603.001709,0.574791);(1615.819946,0.983733);(1616.039307,0.799709);(1647.544434,0.870138);(1653.851196,0.708833);(1654.414795,1.085969);(1657.166382,1.258633);(1657.456177,0.831516);(1667.403198,0.90876);(1669.602173,0.704289);(1670.721558,2.144675);(1671.212891,0.986005);(1671.844238,0.999636);(1672.077637,0.842875);(1672.387695,1.090513);(1674.051636,0.761087);(1684.048706,0.811069);(1692.4021,0.876954);(1692.939087,0.992821);(1694.067383,0.854235);(1707.185547,1.19502);(1707.466064,0.95647);(1707.760376,0.68157);(1708.856689,0.588422);(1719.262451,0.847419);(1720.953003,0.897401);(1761.351685,1.735732);(1773.630249,1.206379);(1774.190063,0.613413);(1778.768311,1.204108);(1786.759033,0.792893);(1787.349365,0.840603);(1799.39917,0.78835);(1801.131592,1.017812);(1816.373413,0.951927);(1837.533569,0.847419);(1862.009521,1.020084);(1872.270508,1.260905);(1872.840698,0.929208);(1875.759521,0.656579);(1885.462524,0.856507);(1886.652222,1.292712);(1888.070068,0.731552);(1888.416016,0.745184);(1890.179321,1.372228);(1890.746338,0.863322);(1891.95459,1.058706);(1893.715454,0.820156);(1900.802856,1.001908);(1901.995483,0.652036);(1902.234863,1.104144);(1912.621826,0.758815);(1926.880005,0.599782);(1927.484009,1.117775);(1941.791992,1.497183);(1945.384644,0.606598);(1954.924316,0.756543);(1956.147705,1.322246);(1956.415039,1.076881);(1986.504883,1.479008);(1987.131104,0.736096);(2001.351807,1.020084);(2001.949463,0.845147);(2002.811279,0.981461);(2015.926758,0.924664);(2017.415405,1.181389);(2028.723389,1.38586);(2030.549438,0.747455);(2041.560181,0.849691);(2043.398926,1.240458);(2044.905762,1.165485);(2061.817139,0.801981);(2063.331787,0.590694);(2063.652588,1.342694);(2072.907715,0.74064);(2093.313721,0.858779);(2097.035645,1.55398);(2104.171143,1.522174);(2104.814697,0.840603);(2111.951416,0.78835);(2117.568604,0.983733);(2118.171143,1.049618);(2119.433105,1.285896);(2120.053223,0.663395);(2120.670898,0.992821);(2120.943115,1.826609);(2121.29834,1.199564);(2150.990723,1.156398);(2151.377197,1.42221);(2151.960449,0.613413);(2152.927979,0.817884);(2153.245361,0.874682);(2164.244629,0.951927);(2164.581055,1.085969);(2166.131836,0.631589);(2177.852051,0.790622);(2185.445312,0.922392);(2187.341797,0.954198);(2194.954346,1.463104);(2202.576416,1.033715);(2210.22998,0.804253);(2211.501709,0.74064);(2211.772461,0.590694);(2225.186523,0.958742);(2225.855225,0.815613);(2238.982422,0.815613);(2239.603027,0.720193);(2242.458252,0.706561);(2246.684814,0.765631);(2286.972168,0.822428);(2287.319824,1.306343);(2287.656494,0.761087);(2302.906006,0.813341);(2303.544434,0.901945);(2304.481201,1.258633);(2334.239014,0.613413);(2349.637939,3.355598);(2350.2854,3.092057);(2368.382812,0.642948);(2369.357666,0.974646);(2369.700195,1.878862);(2370.442139,1.024627);(2371.029785,1.133679);(2371.337158,0.615685);(2381.900635,0.672483);(2385.210449,1.269993);(2398.835938,0.954198);(2399.121826,0.667939);(2413.078125,0.613413);(2413.446045,1.058706);(2427.451172,0.936023);(2453.547119,1.23137);(2469.695557,1.181389);(2475.75293,0.783806);(2477.407227,0.958742);(2527.959961,0.679298);(2528.236084,0.717921);(2540.905029,0.933751);(2542.579834,0.722465);(2563.488281,0.988277);(2588.248047,0.815613);(2608.601318,2.010632);(2609.317627,0.781534);(2626.978027,0.840603);(2627.271484,0.767903);(2627.686035,0.890585);(2629.778564,0.804253);(2633.949951,0.808797);(2640.209961,0.931479);(2642.294434,1.624409);(2643.693604,0.570247);(2643.990479,1.172301);(2646.101074,0.779262);(2656.952148,0.765631);(2659.721924,0.59751);(2660.466797,0.870138);(2660.748779,1.429026);(2696.902344,0.842875);(2699.297607,0.611141);(2728.23877,0.665667);(2728.661865,1.560796);(2730.790283,1.167757);(2743.167236,0.929208);(2743.544678,1.19502);(2745.289062,0.60887);(2803.493652,1.233642);(2811.726562,0.806525);(2816.414307,1.054162);(2817.115234,0.808797);(2820.305176,0.577063);(2820.735352,1.149582);(2827.22168,0.858779);(2833.706055,0.901945);(2838.02832,1.081425);(2844.542969,0.783806);(2846.310059,0.581607);(2863.700195,0.702017);(2881.132812,2.517266);(2881.866455,0.697474);(2899.740967,0.756543);(2900.436768,0.999636);(2901.188232,1.085969);(2901.892822,0.88377);(2903.374023,0.917848);(2905.572754,0.865594);(2907.354004,0.590694);(2938.524414,1.181389);(2948.79541,1.463104);(2949.556641,0.929208);(2951.381348,0.581607);(2951.754883,2.065158);(2952.13501,0.733824);(2967.246826,1.124591);(2969.463867,0.901945);(2971.264404,0.731552);(2986.798584,0.649764)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(72.036713,1.510087);(77.038765,1.856273);(83.012169,0.931121);(83.048386,2.10696);(91.055687,3.664796);(92.054764,1.145995);(95.047966,3.437985);(96.052902,1.181807);(97.909012,0.501373);(103.054367,0.602841);(105.038094,6.64319);(106.072449,0.787872);(107.048988,0.590904);(107.080002,1.038558);(111.042236,3.217142);(112.048111,1.062433);(115.057289,5.700131);(116.06028,3.067924);(117.080551,1.444431);(119.049118,10.976483);(120.051376,0.877402);(121.0252,0.919183);(122.514877,0.638653);(123.011101,1.390713);(123.043861,82.117703);(123.12455,0.662528);(123.396286,0.769965);(123.530998,1.229557);(124.047394,5.162946);(125.283066,0.901277);(131.053665,2.936612);(133.065613,3.109705);(135.042465,1.492181);(137.021179,2.268115);(139.038834,100.0);(140.041687,4.924197);(143.045853,1.235526);(144.0513,0.686403);(145.071991,0.817715);(147.043488,25.647607);(148.046387,3.288767);(150.984726,1.319088);(151.041931,2.19649);(153.058136,0.555091);(157.98027,0.602841);(159.042648,0.925152);(161.059265,10.934702);(162.062027,0.817715);(163.039398,5.915005);(165.054031,8.708368);(166.054932,0.895309);(171.049454,3.688671);(177.060944,2.512833);(178.355453,0.686403);(179.043777,1.868211);(179.072311,6.464128);(179.361008,1.098245);(179.633209,0.734153);(188.074585,0.943058);(189.054398,2.190522);(203.14183,0.590904);(207.066681,20.222037);(207.45433,0.56106);(207.524521,0.495404);(208.072098,0.865465);(213.050735,0.93709);(217.088943,1.760774);(227.075302,0.752059);(231.065109,0.949027);(246.106003,1.12212);(258.048431,0.978871);(274.082031,0.865465);(291.093842,6.03438);(292.096344,0.728184);(1828.038574,0.769965)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(123.1308,34.58532199);(139.1192,34.00428858);(151.1867,8.252057827);(165.1258,16.50411565);(273.1058,6.654215951)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(39.0218,1.3);(41.0025,10.74);(53.0382,2.09);(55.018,3.46);(57.0334,33.38);(65.0395,1.2);(67.0541,3.08);(69.0333,13.4);(77.0385,5.09);(79.0167,1.42);(80.0251,5.72);(81.0327,18.14);(83.0124,19.51);(91.0166,1.08);(93.0331,19.39);(95.0476,21.05);(96.0189,1.94);(97.0275,28.57);(99.0403,1.01);(105.0327,8.29);(107.0467,2.79);(108.0192,13.82);(109.0274,98.78);(111.04,1.07);(117.0319,6.36);(120.021,1.12);(121.0274,26.33);(122.0353,23.92);(123.0429,100.0);(124.0414,1.02);(125.0218,17.28);(131.0484,2.91);(133.0257,2.6);(134.0324,1.47);(135.0424,10.95);(137.022,19.1);(138.0309,2.79);(139.0394,1.05);(143.0481,1.3);(145.0276,9.76);(146.0342,6.26);(147.0425,2.4);(148.012,1.19);(149.0229,5.44);(150.0302,10.1);(151.037,10.74);(157.0634,3.09);(158.034,3.4);(159.0428,16.98);(160.05,4.76);(161.0564,7.4);(162.0304,3.24);(163.0368,2.66);(164.0085,6.1);(165.0166,1.35);(173.0581,9.0);(174.0614,1.04);(175.072,5.32);(177.0537,1.36);(183.0385,1.36);(184.0502,1.18);(185.0563,1.98);(187.038,7.8);(188.0442,4.24);(199.0706,1.14);(201.053,4.13);(202.061,1.76);(203.0692,2.79);(211.037,1.17)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.043,27.13);(124.046,2.0);(139.037,100.0);(140.042,5.31);(147.043,20.62);(148.046,1.7);(151.037,2.6);(161.058,6.31);(163.037,2.0);(165.052,12.81);(169.047,2.6);(179.068,5.71);(181.047,2.0);(189.052,2.7);(205.083,1.0);(207.062,25.53);(208.066,2.4);(231.064,1.8);(249.071,3.3);(273.073,3.0);(291.082,3.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(105.0344,6.24);(107.0513,3.74);(108.0256,5.35);(109.0292,97.68);(109.0502,4.46);(121.0291,16.93);(123.0455,56.51);(123.0752,4.1);(125.0228,100.0);(135.0392,5.88);(137.0241,50.09);(138.0297,9.09);(139.0368,9.45);(139.0486,3.74);(145.0298,8.38);(149.023,30.12);(150.0349,7.13);(151.0396,62.92);(159.0445,9.45);(160.0475,11.23);(161.0587,26.2);(161.0741,4.46);(162.0313,5.88);(163.041,13.01);(164.0097,13.9);(165.0198,20.68);(166.0286,6.24);(167.032,9.27);(173.0572,5.88);(174.0557,6.24);(175.0413,18.0);(175.0682,3.74);(177.0549,16.22);(179.0313,33.51);(179.0651,8.2);(181.0497,5.17);(181.064,4.46);(185.0623,6.95);(187.0402,43.32);(188.0431,6.95);(188.0535,10.87);(192.8596,4.1);(202.0674,13.37);(203.0716,95.54);(203.3535,4.1);(204.9857,3.74);(205.0479,45.45);(212.041,5.17);(217.0478,7.49);(217.086,5.7);(217.1104,5.17);(221.0794,20.14);(227.074,16.4);(229.05,6.42);(231.0314,5.35);(245.0812,89.3);(245.1317,4.99);(247.0676,6.06);(277.9751,10.7);(289.0725,45.63)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(100.4081,1.35);(113.0153,1.28);(113.38,1.32);(114.6785,1.39);(116.1782,1.32);(116.5907,1.38);(123.0441,86.05);(130.7476,1.2);(139.0391,100.0);(140.7802,1.27);(141.2266,1.35);(147.0442,15.32);(151.039,22.65);(165.0549,45.52);(166.8849,1.37);(169.0496,2.3);(202.3443,1.04);(205.0658,3.04);(207.0642,1.37);(233.0603,28.44);(235.0761,5.08);(245.5619,1.26);(249.0765,6.19);(261.0553,31.98);(263.0718,30.05);(273.0765,32.62);(297.3014,1.16)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(109.0278,2.83);(123.0437,2.48);(125.0245,8.01);(137.0224,6.04);(151.0395,2.23);(161.0636,1.4);(165.0191,4.01);(167.0327,1.75);(175.0398,1.02);(179.0358,6.45);(180.0389,1.05);(187.0337,1.33);(188.0458,1.21);(203.0678,7.25);(205.0508,8.11);(217.0852,1.33);(221.0806,1.05);(245.0826,25.21);(245.1311,1.46);(247.0628,2.96);(271.0584,1.14);(288.0749,1.14);(289.0704,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.048,2.4);(123.043,35.24);(124.046,2.2);(137.054,1.0);(139.038,100.0);(140.042,5.71);(143.048,4.5);(147.043,28.13);(148.047,2.0);(151.04,2.1);(153.053,1.6);(161.058,18.52);(162.06,1.1);(163.039,2.5);(165.053,6.71);(169.048,1.0);(177.053,3.1);(179.069,9.41);(189.052,5.61);(207.063,17.92);(208.065,1.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(97.02828,1.2);(109.03125,6.3);(121.03039,1.2);(123.0455,3.2);(125.02485,6.6);(137.02425,4.4);(151.04072,2.0);(161.06168,2.1);(165.02175,1.8);(179.03448,2.8);(203.07255,2.4);(205.05227,4.7);(227.07179,1.6);(230.05654,1.2);(245.0829,21.2);(289.07268,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03652,43.7);(115.05193,21.8);(123.04607,100.0);(139.0394,73.9);(147.04202,21.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(92.7739,1.37);(109.7563,1.55);(110.9565,1.31);(123.0442,95.26);(134.014,1.22);(139.0392,100.0);(147.0444,13.82);(151.0392,25.87);(160.4479,1.26);(165.0549,43.04);(169.0498,2.32);(179.5989,1.28);(188.4633,1.4);(195.5046,1.34);(196.129,1.33);(205.0654,3.08);(214.452,1.4);(233.0604,37.35);(235.0768,7.84);(249.0758,6.03);(252.6523,1.37);(258.5998,1.16);(261.0554,38.2);(263.072,35.12);(273.0762,35.43)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(84.7178,3.85);(89.7139,4.4);(90.497,4.55);(91.7573,4.0);(94.105,4.25);(116.2889,3.82);(123.0441,94.5);(139.039,100.0);(141.3016,3.72);(147.0444,19.06);(151.039,25.01);(165.0546,46.59);(171.9441,5.09);(173.9112,4.27);(177.7021,4.23);(205.0647,6.25);(220.5401,5.1);(233.0602,70.36);(235.0759,18.88);(238.5359,4.3);(249.0776,6.69);(254.2305,4.28);(259.2039,3.83);(261.0552,65.89);(263.0714,73.12);(273.0755,43.98)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.04173,2.84);(119.0439,1.94);(123.04585,61.61);(139.03925,100.0);(143.04416,1.94);(147.04128,23.15);(151.03482,1.94);(153.05426,1.46);(161.05948,8.99);(163.0407,1.94);(165.05025,9.17);(179.06717,1.94);(189.05444,2.61);(207.06207,14.14);(249.06779,1.46);(291.09207,1.94)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0005,7.5);(77.02553,7.2);(94.04353,4.0);(95.05092,3.2);(97.0289,4.1);(99.04274,5.5);(115.0518,3.7);(116.05034,3.1);(119.04733,7.2);(121.02937,4.4);(123.04218,62.4);(124.04852,6.1);(133.05121,6.0);(135.75293,2.9);(137.0621,3.2);(139.03925,100.0);(140.04872,8.9);(142.04662,3.1);(143.05971,4.6);(144.05113,4.6);(145.07141,3.2);(147.04294,21.2);(148.04951,3.1);(161.06409,9.5);(163.03477,5.7);(164.03511,3.8);(165.0679,3.1);(177.05663,3.5);(185.05775,5.2);(189.05779,5.4);(192.97656,3.2);(256.70578,3.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(105.0358,9.38);(108.0185,19.65);(109.03,67.43);(113.0586,3.89);(121.0302,14.51);(122.0379,14.87);(123.0105,4.6);(123.0453,100.0);(124.0146,5.66);(125.0224,11.33);(135.0448,15.04);(137.0212,13.81);(143.0532,6.19);(145.028,5.84);(146.0367,5.13);(146.0458,5.31);(149.0665,4.42);(150.0304,5.66);(153.25,3.89);(159.042,10.09);(164.0085,5.84);(164.0173,3.89);(175.0351,4.07);(187.041,9.03);(203.0688,11.68);(213.4818,3.54);(230.8614,5.31)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03913,21.1);(83.0477,16.5);(84.04691,17.4);(91.05383,40.4);(106.04174,22.9);(115.0547,32.1);(123.04736,100.0);(127.05118,21.1);(222.85785,21.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.03231,1.1);(123.04436,17.3);(124.05089,2.7);(125.05173,1.3);(127.04147,1.5);(139.03712,38.6);(140.04181,1.1);(147.04631,2.1);(147.70883,1.3);(151.03679,2.5);(152.04398,1.4);(161.05443,1.3);(163.03563,1.5);(165.05188,11.3);(166.06064,2.1);(179.06494,1.3);(182.04405,1.8);(195.64583,1.1);(207.06334,1.1);(273.08624,2.6);(289.06937,1.4);(291.08786,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.04635,48.3);(139.04137,100.0);(147.04616,10.4);(151.04098,2.2);(161.06141,1.8);(163.04057,2.6);(165.05709,22.0);(169.05159,2.3);(181.05131,1.3);(207.06834,6.5);(249.08027,2.0);(273.07852,2.2);(291.08916,27.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(94.5307,1.13);(108.5312,1.12);(109.8155,1.22);(113.4534,1.03);(118.6869,1.04);(123.0441,97.99);(139.0391,100.0);(147.0442,11.98);(151.0391,24.78);(152.2262,1.05);(165.0548,44.61);(167.5688,1.14);(168.7127,1.14);(169.0495,1.66);(205.0657,3.75);(220.5371,1.32);(233.0603,34.05);(235.0764,7.1);(245.0595,2.55);(248.0791,1.01);(249.076,5.16);(261.0551,35.6);(263.0714,33.33);(273.0761,37.11);(280.2385,1.11);(290.5682,1.39)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.0161,1.1);(67.05606,1.5);(95.05025,2.5);(119.05176,2.6);(123.04667,43.8);(127.04054,2.1);(139.0415,100.0);(143.05109,3.6);(147.04622,25.7);(151.04192,1.5);(153.05607,2.2);(161.06266,9.2);(163.04132,2.0);(165.05707,8.8);(169.05123,2.0);(177.05516,2.9);(179.07214,5.5);(181.05105,1.5);(185.06168,1.1);(207.06789,13.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99197,2.1);(77.0418,2.8);(99.0428,2.0);(105.0378,2.5);(111.04939,4.0);(112.04723,2.4);(115.04118,2.7);(119.04675,4.9);(120.04819,2.7);(123.04376,49.6);(124.02526,4.2);(127.03778,2.8);(139.03999,100.0);(140.04318,9.1);(141.04126,4.1);(143.04813,5.0);(147.04494,2.2);(151.03842,6.8);(159.03807,3.0);(163.03749,4.5);(165.05553,14.1);(179.07957,2.5);(180.07701,2.8);(181.04541,2.6);(189.04794,2.6);(207.07407,5.8);(244.06752,4.4);(249.07143,2.7);(273.06647,3.2);(291.08197,24.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.03231,1.1);(123.04436,17.32);(124.05089,2.7);(125.05173,1.3);(127.04147,1.5);(139.03712,38.64);(140.04181,1.1);(147.04631,2.1);(147.70883,1.3);(151.03679,2.5);(152.04398,1.4);(161.05443,1.3);(163.03563,1.5);(165.05188,11.31);(166.06064,2.1);(179.06494,1.3);(182.04405,1.8);(195.64583,1.1);(207.06334,1.1);(273.08624,2.6);(286.56586,1.0);(289.06937,1.4);(291.08786,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.042,27.33);(124.047,1.7);(139.037,100.0);(140.041,5.21);(147.042,12.41);(151.037,3.3);(161.059,1.1);(163.038,1.7);(165.052,28.83);(166.056,2.0);(169.047,3.7);(181.047,1.9);(207.062,11.31);(208.067,1.0);(231.061,1.7);(249.072,8.31);(273.072,10.51);(274.075,1.1);(291.082,69.77);(292.086,7.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.042,1.58);(55.019,13.23);(65.039,7.3);(67.055,5.02);(68.998,9.7);(77.039,7.99);(79.055,1.27);(83.051,3.11);(91.055,14.19);(93.035,5.12);(95.051,4.13);(97.03,1.65);(103.056,1.6);(105.036,7.2);(107.05,1.38);(111.044,12.22);(115.054,17.49);(119.049,20.54);(121.032,1.98);(123.043,100.0);(124.047,2.31);(131.048,2.76);(133.062,2.45);(137.026,3.25);(139.039,27.7);(143.048,4.94);(147.043,13.75);(161.062,3.75);(163.042,1.38)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.019,3.6);(67.055,2.1);(68.997,2.0);(83.051,1.3);(91.055,2.7);(93.034,2.1);(95.051,3.2);(105.035,1.5);(111.043,6.81);(115.054,4.3);(119.049,16.12);(121.029,1.4);(123.043,100.0);(124.046,1.8);(127.038,1.5);(131.048,1.1);(133.064,3.2);(137.029,3.9);(139.039,83.48);(140.042,1.4);(143.049,7.51);(147.043,30.73);(151.056,3.2);(159.045,1.0);(161.061,16.82);(163.043,2.1);(165.057,3.2);(177.057,1.8);(179.073,2.9);(189.059,3.3);(207.069,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.052,1.1);(119.049,2.4);(123.043,57.16);(139.039,100.0);(140.042,1.6);(147.043,21.92);(151.039,3.0);(161.062,5.11);(163.042,2.7);(165.057,17.02);(169.052,2.3);(179.073,4.1);(181.055,1.5);(189.058,1.6);(207.068,16.52);(249.079,1.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.0442,39.04);(124.0474,2.3);(127.0391,1.1);(139.0391,100.0);(140.0425,6.41);(147.0442,14.91);(148.0477,1.2);(151.0391,2.5);(161.0598,3.3);(163.039,3.6);(165.0547,21.02);(166.058,2.0);(169.0496,3.2);(179.0702,4.5);(181.0494,2.7);(189.0548,1.9);(205.0859,1.2);(207.0651,27.33);(208.0684,3.1);(249.0756,2.7);(273.0756,2.2);(291.086,6.01)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.0443,4.2);(115.0544,2.6);(119.0492,10.21);(123.0442,79.88);(124.0476,5.11);(127.0392,1.6);(131.0494,1.2);(133.065,2.7);(135.0441,1.3);(137.0235,3.2);(139.0391,100.0);(140.0425,6.81);(143.0493,6.81);(147.0442,28.63);(148.0478,2.5);(151.039,1.4);(153.0548,1.4);(159.0442,1.2);(161.0598,16.02);(162.0635,1.4);(163.0392,2.8);(165.0546,4.4);(177.0546,2.1);(179.0702,3.2);(189.0544,4.3);(207.0651,1.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.042,27.23);(124.047,1.6);(139.037,100.0);(140.041,5.11);(147.042,12.31);(151.037,3.2);(161.059,1.0);(163.038,1.6);(165.052,28.73);(166.056,1.9);(169.047,3.6);(181.047,1.8);(207.062,11.21);(231.061,1.6);(249.072,8.21);(273.072,10.41);(274.075,1.0);(291.082,69.67);(292.086,7.81)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.0438,15.4);(124.0473,1.11);(139.0387,40.75);(140.0421,2.22);(147.0437,1.15);(151.0388,1.62);(165.0543,14.96);(166.0577,1.34);(169.0492,1.52);(207.0645,1.59);(249.0754,1.44);(273.0754,3.0);(291.0859,100.0);(292.0892,15.39);(293.0912,2.16)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.0505,11.71);(97.0296,13.01);(109.0294,53.95);(121.0291,26.43);(122.0365,12.31);(123.0449,100.0);(125.024,84.98);(137.0243,44.64);(138.0316,13.01);(139.0395,21.82);(149.0244,35.64);(150.0319,11.81);(151.0399,60.16);(159.0453,12.91);(161.0615,26.23);(162.0318,13.61);(163.0395,15.12);(164.0108,21.12);(165.0193,21.62);(167.0351,9.31);(175.0397,11.61);(179.0346,23.52);(187.0394,21.92);(188.0473,18.52);(202.0633,21.52);(203.0712,78.08);(205.0505,55.46);(221.0815,87.09);(222.0863,11.41);(227.0706,13.71);(245.0814,40.94);(289.0715,13.71)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.049,4.1);(123.0439,52.05);(124.0474,3.4);(127.039,1.3);(137.0234,1.3);(139.0388,100.0);(140.0422,6.51);(143.0491,3.3);(147.044,26.73);(148.0474,2.1);(151.0387,2.3);(153.0546,1.4);(159.0439,1.1);(161.0597,19.02);(162.063,1.5);(163.0389,2.9);(165.0545,9.11);(177.0545,2.8);(179.0699,10.81);(180.0736,1.1);(181.0492,1.1);(189.0544,5.31);(207.0649,15.42);(208.0687,1.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.0442,39.06);(124.0474,2.3);(127.0391,1.07);(139.0391,100.0);(140.0425,6.44);(147.0442,14.91);(148.0477,1.21);(151.0391,2.48);(161.0598,3.35);(163.039,3.57);(165.0547,21.05);(166.058,2.0);(169.0496,3.23);(179.0702,4.47);(181.0494,2.73);(189.0548,1.86);(205.0859,1.19);(207.0651,27.36);(208.0684,3.15);(249.0756,2.73);(273.0756,2.22);(291.086,5.96)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.0443,4.23);(115.0544,2.58);(119.0492,10.17);(123.0442,79.89);(124.0476,5.1);(127.0392,1.64);(131.0494,1.18);(133.065,2.75);(135.0441,1.3);(137.0235,3.18);(139.0391,100.0);(140.0425,6.81);(143.0493,6.85);(147.0442,28.62);(148.0478,2.54);(151.039,1.35);(153.0548,1.44);(159.0442,1.22);(161.0598,15.99);(162.0635,1.41);(163.0392,2.8);(165.0546,4.41);(177.0546,2.07);(179.0702,3.17);(189.0544,4.28);(207.0651,1.69)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.0499,7.11);(97.0293,14.01);(109.0295,49.35);(121.0284,16.42);(122.0369,22.12);(123.0446,100.0);(124.0479,8.01);(125.0243,26.03);(135.0445,9.91);(137.0243,25.83);(138.0311,9.41);(139.0398,17.72);(145.0293,8.91);(149.0241,17.02);(150.031,16.72);(151.0394,32.33);(159.0453,10.61);(160.052,7.01);(161.0606,9.81);(162.032,6.61);(163.04,7.41);(164.0109,11.01);(165.0187,6.21);(175.076,9.21);(177.0551,5.51);(187.0398,11.11);(188.0467,6.51);(201.0548,6.11);(203.0708,13.41);(205.0511,6.81);(221.0817,17.12)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.0498,10.01);(97.0297,15.42);(108.0212,12.71);(109.0295,69.07);(121.0291,22.42);(122.0372,40.44);(123.0448,100.0);(124.0485,7.81);(125.0238,13.31);(135.0448,15.52);(137.0243,32.03);(139.0401,12.81);(145.0301,9.61);(149.0243,12.51);(150.032,18.42);(151.0394,17.12);(159.045,14.31);(173.0597,11.01);(201.0573,7.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.049,4.11);(123.0439,52.02);(124.0474,3.37);(127.039,1.31);(137.0234,1.32);(139.0388,100.0);(140.0422,6.51);(143.0491,3.35);(147.044,26.76);(148.0474,2.11);(151.0387,2.33);(153.0546,1.4);(159.0439,1.14);(161.0597,18.97);(162.063,1.54);(163.0389,2.93);(165.0545,9.14);(177.0545,2.81);(179.0699,10.82);(180.0736,1.08);(181.0492,1.07);(189.0544,5.27);(207.0649,15.39);(208.0687,1.79)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(107.0496898,0.1458084533);(109.0289544,1.599498823);(111.0446045,1.418758001);(113.0602545,0.2043234241);(123.0446045,5.81368521);(125.0602545,1.546001673);(127.0759046,1.32088733);(135.0446045,0.2993003293);(137.023869,0.6659920314);(139.0395191,18.8489425);(141.0551691,1.156611157);(143.0708192,0.9868167908);(147.0446045,0.8074258392);(149.023869,0.4475666665);(151.0395191,0.6751860198);(153.0551691,0.4332981337);(163.0395191,0.1446065313);(165.0551691,0.7587777164);(169.0500838,0.6722068832);(179.0344337,0.297552772);(181.0500838,0.8075670648);(203.0344337,0.1854039178);(207.0657338,0.1617399552);(247.0606485,0.1853542361);(249.0762985,0.1405821772);(255.0657338,0.5036796402);(259.0606485,0.3897906722);(261.0762985,0.5625350963);(273.0762985,12.13580368);(275.0555631,0.3961348809);(291.0868632,46.28816239)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.5090669233);(109.0289544,2.269815011);(111.0446045,2.440573447);(113.0602545,0.4576030977);(123.0446045,8.545586185);(125.0602545,1.336879815);(127.0759046,1.043949967);(135.0446045,1.067157103);(137.023869,1.845471339);(139.0395191,46.87149904);(141.0551691,1.30787862);(143.0708192,2.025866947);(147.0446045,0.5654272388);(149.023869,0.5564438678);(151.0395191,2.04624553);(153.0551691,1.609142923);(163.0395191,0.6905012353);(165.0551691,0.3901459095);(167.0344337,0.6594868484);(169.0500838,2.085513604);(181.0500838,0.8544146732);(205.0500838,0.4474033171);(207.0657338,0.4598923543);(243.0657338,0.4020401376);(247.0606485,0.9199744395);(249.0762985,0.6180244839);(255.0657338,0.6170109749);(259.0606485,0.9654687392);(261.0762985,2.543333064);(273.0762985,5.305301054);(291.0868632,8.542882114)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,2.690686374);(53.03912516,2.971526902);(55.01838972,1.391945674);(67.05477522,1.274181394);(69.03403978,3.028314191);(79.01838972,1.58980809);(80.99765427,1.435302168);(81.03403978,4.873874458);(93.03403978,4.153963582);(95.01330434,0.862623238);(95.04968984,3.160901634);(97.0289544,2.055360424);(107.0496898,8.082508924);(109.0289544,4.138578528);(109.0653399,3.222558748);(111.0446045,1.729093898);(123.0446045,20.25895776);(125.0602545,4.289198536);(127.0759046,1.946905479);(135.0446045,3.013710982);(137.023869,1.686250765);(137.0602545,1.490024104);(139.0395191,5.257261862);(147.0446045,3.066815216);(149.023869,4.35080478);(151.0395191,3.165258006);(245.0449984,0.8616783079);(249.0762985,0.873134442);(255.0657338,1.168181878);(259.0606485,0.8960430583);(273.0762985,1.014546594)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(41.00273965,0.1646674423);(107.0133043,0.1006753672);(109.0289544,3.54218488);(111.0446045,0.0962020991);(121.0289544,1.498426531);(123.0446045,0.1753501451);(125.023869,0.4262494825);(125.0602545,0.1842429166);(135.008219,0.1143005709);(137.023869,6.525096097);(139.0395191,1.72382988);(141.0551691,0.129051506);(149.023869,0.0805635516);(151.0395191,1.138463719);(163.0395191,0.1611084702);(167.0344337,1.469978991);(177.0187836,0.0705401014);(179.0344337,1.098208066);(181.0500838,0.705284934);(215.0344337,0.1080631323);(217.0500838,0.1444190274);(219.0657338,0.2084870047);(229.0500838,0.0756935647);(231.0657338,0.1826955572);(245.0449984,0.3657468516);(247.0606485,0.7126070145);(257.0449984,0.4755960606);(259.0606485,1.710195132);(271.0606485,6.31091206);(273.039913,0.1915139655);(289.0712131,70.10964588)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.5568873411);(29.00273965,0.2938659227);(41.00273965,0.6180576854);(43.01838972,0.9639750851);(107.0133043,0.51644227);(109.0289544,5.56443213);(111.0446045,0.6076287984);(121.0289544,4.289826854);(123.0446045,1.135923404);(125.023869,1.768049185);(133.0289544,1.87187893);(137.023869,19.93811451);(139.0395191,1.215809248);(145.0289544,0.3630624095);(149.023869,2.564726995);(151.0395191,16.88279387);(163.0395191,3.570751237);(167.0344337,0.7259593306);(179.0344337,1.760108388);(181.0500838,1.053660131);(215.0344337,0.2871663122);(217.0500838,0.3514343261);(229.0500838,0.4200139711);(231.0657338,0.7436902185);(245.0449984,2.381654892);(247.0606485,2.951382317);(257.0449984,0.8060792079);(259.0606485,1.15591877);(271.0606485,5.597456059);(273.039913,1.903957836);(289.0712131,17.13929237)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,2.138946401);(43.01838972,1.113470664);(51.0234751,0.8057986751);(57.03403978,1.258131879);(67.01838972,4.691825526);(79.01838972,0.9008327448);(83.01330434,5.258099031);(91.01838972,3.130515533);(93.03403978,3.003059005);(105.0340398,1.257021553);(107.0133043,9.710188303);(109.0289544,10.86236999);(111.0446045,2.333945983);(121.0289544,8.566889771);(123.0446045,2.162517958);(125.023869,16.56654208);(125.0602545,1.176396179);(133.0289544,1.00740345);(137.023869,6.108730846);(139.0395191,1.423659804);(149.023869,1.204844868);(151.0395191,2.0341163);(161.023869,0.8668678888);(163.0395191,1.780513904);(179.0344337,0.7865287638);(215.0344337,0.7848402967);(245.0449984,2.407461476);(247.0606485,2.936380907);(257.0449984,0.7929453938);(259.0606485,1.147292415);(271.0606485,1.781862418)

Food Sources

Name	Group
Almond	Nuts	Publications	Show
Apple	Fruit, Pomes	Publications	Show
Apple cider	Beverages, Alcoholic	Publications	Show
Apple juice	Beverages, Non-alcoholic	Publications	Show
Apricot	Fruit, Drupes	Publications	Show
Beer	Beverages, Alcoholic	Publications	Show
Black tea	Teas and herbal teas	Publications	Show
Blackberry	Fruit, Berries	Publications	Show
Broad bean	Pulses and beans	Publications	Show
Chocolate	Cocoa and cocoa products	Publications	Show
Cider	Beverages, Alcoholic	Publications	Show
Cocoa	Cocoa and cocoa products	Publications	Show
Cocoa bean	Cocoa and cocoa products	Publications	Show
Cocoa powder	Cocoa and cocoa products	Publications	Show
Common chokecherry	Fruit, Drupes	Publications	Show
Common walnut	Nuts	Publications	Show
European cranberry	Fruit, Berries	Publications	Show
European plum	Fruit, Drupes	Publications	Show
Grape	Fruit, Berries	Publications	Show
Green tea	Teas and herbal teas		Show
Peach	Fruit, Drupes	Publications	Show
Pear	Fruit, Pomes	Publications	Show
Pomegranate	Fruit, Tropical fruits	Publications	Show
Strawberry	Fruit, Berries	Publications	Show
Sweet cherry	Fruit, Drupes	Publications	Show
Tea	Teas and herbal teas	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
(-)-Epicatechin	Almond	Nuts	Publications	Show
Procyanidin dimer B2	Apple	Fruit, Pomes	Publications	Show
(-)-Epicatechin	Apple	Fruit, Pomes	Publications	Show
Procyanidin dimer B2	Apple cider	Beverages, Alcoholic	Publications	Show
(-)-Epicatechin	Apple cider	Beverages, Alcoholic	Publications	Show
Procyanidin dimer B2	Apple juice	Beverages, Non-alcoholic	Publications	Show
(-)-Epicatechin	Apple juice	Beverages, Non-alcoholic	Publications	Show
Procyanidin dimer B2	Apricot	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Apricot	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Beer	Beverages, Alcoholic	Publications	Show
Procyanidin dimer B2	Black tea	Teas and herbal teas	Publications	Show
(-)-Epicatechin	Black tea	Teas and herbal teas	Publications	Show
Procyanidin dimer B2	Blackberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	Blackberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	Broad bean	Pulses and beans	Publications	Show
(-)-Epicatechin	Chocolate	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cider	Beverages, Alcoholic	Publications	Show
Procyanidin dimer B2	Cocoa	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cocoa	Cocoa and cocoa products	Publications	Show
Procyanidin dimer B2	Cocoa bean	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cocoa bean	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cocoa powder	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Common chokecherry	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Common walnut	Nuts	Publications	Show
(-)-Epicatechin	European cranberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	European plum	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Grape	Fruit, Berries	Publications	Show
Procyanidin dimer B2	Green tea	Teas and herbal teas	Publications	Show
(-)-Epicatechin	Green tea	Teas and herbal teas		Show
(-)-Epicatechin	Peach	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Pear	Fruit, Pomes	Publications	Show
(-)-Epicatechin	Pomegranate	Fruit, Tropical fruits	Publications	Show
(-)-Epicatechin	Strawberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	Sweet cherry	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Tea	Teas and herbal teas	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
(-)-Epicatechin	(-)-Epicatechin	human	plasma, urine	unchanged	1h-3h	50-200 nmol/L	5-10%	C₁₅H₁₄O₆	290.079038171	Detailed Intervention Studies	Publications
(-)-Epicatechin	4'-Hydroxyphenylacetic acid	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₈H₈O₃	152.047344118		Publications
(-)-Epicatechin	(-)-Epicatechin 3'-O-glucuronide	human	plasma, plasma (major), urine, urine (major)	host metabolism	1h-3h	200-500 nmol/L	1-5%	C₂₁H₂₂O₁₂	466.111126148	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin 3'-O-sulfate	human	plasma, plasma (major), urine, urine (major)	host metabolism	1h-3h	200-500 nmol/L	1-5%	C₁₅H₁₄O₉S	370.035853205	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin 4'-O-glucuronide	human	plasma, urine, urine (minor)	host metabolism	1h-3h	20-50 nmol/L	<1%	C₂₁H₂₂O₁₂	466.111126148	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin 4'-O-sulfate	human	plasma, plasma (minor), urine, urine (minor)	host metabolism	3h-5h	<20 nmol/L	<1%	C₁₅H₁₄O₉S	370.035853205	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin 5-O-sulfate	human	plasma, urine, urine (minor)	host metabolism	1h-3h	20-50 nmol/L	<1%	C₁₅H₁₄O₉S	370.035853205	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin 7-O-glucuronide	human rat	plasma, urine (major)	host metabolism	Not Available	Not Available	Not Available	C₂₁H₂₂O₁₂	466.111126148	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin glucuronide	human	plasma	Not Available	Not Available	Not Available	Not Available	C₂₁H₂₂O₁₂	466.3989068		Publications
(-)-Epicatechin	(-)-Epicatechin sulfoglucuronide	human	plasma, urine	Not Available	Not Available	Not Available	Not Available	C₂₁H₂₂O₁₅S	546.4612115		Publications
(-)-Epicatechin	(Epi)catechin O-glucuronide	human	ileal fluid, plasma, urine	host metabolism	Not Available	50-200 nmol/L	10-30%	C₂₁H₂₂O₁₂	466.3989068		Publications
(-)-Epicatechin	(Epi)catechin O-sulfate	human	ileal fluid, plasma, urine	host metabolism	Not Available	50-200 nmol/L	10-30%	C₁₅H₁₄O₉S	370.335352		Publications
(-)-Epicatechin	1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₅H₁₆O₆	292.094688235		Publications
(-)-Epicatechin	1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₅H₁₆O₅	276.2896941		Publications
(-)-Epicatechin	3-(3',4'-Dihydroxyphenyl)propionic acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₄	182.057908802		Publications
(-)-Epicatechin	3-(3'-Hydroxyphenyl)propionic acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₃	166.062994182		Publications
(-)-Epicatechin	3'-Hydroxyphenylacetic acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₈H₈O₃	152.047344118		Publications
(-)-Epicatechin	3'-O-Methyl-(-)-epicatechin 4'-O-sulfate	human	plasma, urine, urine (minor)	host metabolism	3h-5h	50-200 nmol/L	<1%	C₁₆H₁₆O₉S	384.051503269	Detailed Intervention Studies	Publications
(-)-Epicatechin	3'-O-Methyl-(-)-epicatechin 5-O-sulfate	human rat	plasma, plasma (major), urine, urine (major)	host metabolism	1h-3h	50-200 nmol/L	1-5%	C₁₆H₁₆O₉S	384.051503269	Detailed Intervention Studies	Publications
(-)-Epicatechin	3'-O-Methyl-(-)-epicatechin 7-O-sulfate	human	plasma, urine, urine (minor)	host metabolism	1h-3h	50-200 nmol/L	<1%	C₁₆H₁₆O₉S	384.051503269	Detailed Intervention Studies	Publications
(-)-Epicatechin	3'-O-Methyl-(-)-epicatechin glucuronide	human	urine (minor)	host metabolism	Not Available	Not Available	Not Available	C₂₂H₂₄O₁₂	480.4258956		Publications
(-)-Epicatechin	3'-O-Methyl(epi)catechin O-sulfate	human	ileal fluid, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₆H₁₆O₉S	384.3623408		Publications
(-)-Epicatechin	4'-O-Methyl-(-)-epicatechin 5-O-sulfate	human	plasma, plasma (minor), urine, urine (minor)	host metabolism	3h-5h	<20 nmol/L	<1%	C₁₆H₁₆O₉S	384.051503269	Detailed Intervention Studies	Publications
(-)-Epicatechin	4'-O-Methyl-(-)-epicatechin 7-O-sulfate	human	plasma, plasma (major), urine, urine (major)	host metabolism	3h-5h	<20 nmol/L	<1%	C₁₆H₁₆O₉S	384.051503269	Detailed Intervention Studies	Publications
(-)-Epicatechin	4'-O-Methyl-(-)-epicatechin glucuronide	human	urine, urine (minor)	host metabolism	Not Available	Not Available	<1%	C₂₂H₂₄O₁₂	480.4258956	Detailed Intervention Studies	Publications
(-)-Epicatechin	4'-O-methyl(epi)catechin O-sulfate	human	ileal fluid, plasma, urine	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₆O₉S	384.3623408		Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	human in vitro (human) rat	plasma, urine	gut microbiota metabolite	5h-8h	Not Available	Not Available	C₁₁H₁₂O₄	208.073558866		Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)valeric acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₄	210.089208931		Publications
(-)-Epicatechin	5-(3'-hydroxyphenyl)valeric acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₃	194.094294311		Publications
(-)-Epicatechin	Methyl-(-)-epicatechin sulfate	human	plasma, urine	host metabolism	1h-3h	20-50 nmol/L	1-5%	C₁₆H₁₆O₉S	384.3623408		Publications
(-)-Epicatechin	Methyl-(-)-epicatechin sulfoglucuronide	human	plasma, urine	Not Available	Not Available	Not Available	Not Available	C₂₂H₂₄O₁₅S	560.4882003		Publications
(-)-Epicatechin	Phenylacetic acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₈H₈O₂	136.052429498		Publications
(-)-Epicatechin	3-Hydroxyhippuric acid	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	5-10%	C₉H₉NO₄	195.053157774	Detailed Intervention Studies	Publications
(-)-Epicatechin	Hippuric acid	human rat	urine	host-gut microbiota co-metabolite	Not Available	Not Available	10-30%	C₉H₉NO₃	179.058243154	Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(3'-Hydroxyphenyl)-gamma-valerolactone	in vitro (human)	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₁H₁₂O₃	192.078644246		Publications
(-)-Epicatechin	3-(3'-Hydroxyphenyl)hydracrylic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	5-10%	C₉H₁₀O₄	182.057908802	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin-5-O-glucuronide	human rat	plasma (minor), urine (minor)	host metabolism	Not Available	Not Available	Not Available	C₂₁H₂₂O₁₂	466.111126148		Publications
(-)-Epicatechin	3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide	human rat	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₂H₂₄O₁₂	480.126776213		Publications
(-)-Epicatechin	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide	human rat	plasma, urine	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	<1%	C₁₇H₂₂O₁₁	402.116211528	Detailed Intervention Studies	Publications
(-)-Epicatechin	(-)-Epicatechin-7-O-glucuronide	human	plasma, urine	host metabolism	<1h	20-50 nmol/L	1-5%	C₂₁H₂₂O₁₂	466.111126148		Publications
(-)-Epicatechin	3'-O-Methyl-epicatechin	rat	urine	host metabolism	Not Available	Not Available	Not Available	C₁₆H₁₆O₆	304.094688235		Publications
(-)-Epicatechin	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₈H₂₄O₁₁	416.131861593		Publications
(-)-Epicatechin	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₄	210.089208931		Publications
(-)-Epicatechin	5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₇S	290.046023965		Publications
(-)-Epicatechin	5-(Phenyl)-gamma-valerolactone-3'-sulfate	human rat	plasma, urine	host-gut microbiota co-metabolite	8h-12h	Not Available	1-5%	C₁₁H₁₂O₆S	272.03545928	Detailed Intervention Studies	Publications
(-)-Epicatechin	4-Hydroxybenzoic acid -3-sulfate	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₇H₆O₇S	233.983423707		Publications
(-)-Epicatechin	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₇S	262.014723836		Publications
(-)-Epicatechin	5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₇H₂₀O₁₀	384.105646844		Publications
(-)-Epicatechin	5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	human rat	plasma, urine	host-gut microbiota co-metabolite	5h-8h	200-500 nmol/L	10-30%	C₁₁H₁₂O₇S	288.0303739	Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(4’-hydroxyphenyl)-gamma-valerolactone	human	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₂O₃	192.078644246		Publications
(-)-Epicatechin	3'-Methyl-epicatechin-7-O-glucuronide	human	plasma	host metabolism	<1h	20-50 nmol/L	Not Available	C₂₂H₂₄O₁₂	480.126776213		Publications
(-)-Epicatechin	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	<1%	C₁₁H₁₄O₈S	306.040938585	Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)-γ-valerolactone	human	plasma, urine	gut microbiota metabolite	5h-8h	Not Available	Not Available	C₁₁H₁₂O₄	208.073558866		Publications
(-)-Epicatechin	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	30-50%	C₁₁H₁₂O₇S	288.0303739	Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	5-10%	C₁₇H₂₀O₁₀	384.105646844	Detailed Intervention Studies	Publications
(-)-Epicatechin	(−)-Epicatechin-7-sulfate	human	plasma	host metabolism	1h-3h	<20 nmol/L	Not Available	C₁₅H₁₄O₉S	370.035853205	Detailed Intervention Studies	Publications
(-)-Epicatechin	3′-Methoxy-(−)-epicatechin-7-glucuronide	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₂₂H₂₄O₁₂	480.126776213	Detailed Intervention Studies
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-sulfate-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	20-50 nmol/L	<1%			Detailed Intervention Studies	Publications
(-)-Epicatechin	Dihydroxyphenylacetic acid-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	1-5%			Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	<1%				Publications
(-)-Epicatechin	5-(Hydroxyphenyl)-γ-valerolactone-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	Methoxy-(epi)catechin-sulfate	human	plasma, urine	host metabolism	Not Available	20-50 nmol/L	10-30%				Publications
(-)-Epicatechin	5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	1-5%				Publications
(-)-Epicatechin	5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-methoxy-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-4′-sulfate	human	plasma	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-3′-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₇H₂₀O₉	368.110732224		Publications
(-)-Epicatechin	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₁H₁₂O₇S	288.0303739		Publications
(-)-Epicatechin	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₇H₂₀O₁₀	384.105646844		Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₂H₁₄O₇S	302.046023965		Publications
(-)-Epicatechin	Methoxy-(epi)catechin-glucuronide	human	plasma, urine	host metabolism	Not Available	<20 nmol/L	1-5%				Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₂H₁₄O₇S	302.046023965		Publications
(-)-Epicatechin	4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	1-5%	C₁₁H₁₄O₇S	290.046023965	Detailed Intervention Studies	Publications
(-)-Epicatechin	3'-Methoxy-(−)-epicatechin-glucuronide	human	urine	host metabolism	Not Available	Not Available	<1%			Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	Not Available	Not Available	C₁₇H₂₀O₁₀	384.105646844		Publications
(-)-Epicatechin	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone	human	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₂O₄	208.073558866		Publications
(-)-Epicatechin	Methoxy-(−)-epicatechin-sulfate	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available			Detailed Intervention Studies
(-)-Epicatechin	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₇H₂₂O₁₁	402.116211528		Publications
(-)-Epicatechin	5-(Phenyl)-valeric acid-sulfate-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	Not Available	Not Available				Publications
(-)-Epicatechin	4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	3′-Methoxy-(−)-epicatechin-5′-glucuronide	human	plasma, urine	host metabolism	<1h	20-50 nmol/L	<1%	C₂₂H₂₄O₁₂	480.126776213	Detailed Intervention Studies	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available				Publications
(-)-Epicatechin	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide	human	plasma	host metabolism	1h-3h	20-50 nmol/L	Not Available	C₂₂H₂₄O₁₂	480.126776213	Detailed Intervention Studies	Publications
Procyanidin dimer B2	(-)-Epicatechin	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₅H₁₄O₆	290.079038171		Publications

Inter-Individual Variations in Metabolism

Food Phytochemical	Metabolite	Effect	Value
(-)-Epicatechin	(-)-Epicatechin	Genotype	Discordant	Publications
(-)-Epicatechin	(-)-Epicatechin	Smoking	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-gamma-valerolactone-3'-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(4’-hydroxyphenyl)-gamma-valerolactone	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)-γ-valerolactone	Genotype	Discordant	Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)-γ-valerolactone	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)-γ-valerolactone	Smoking	Effect, clusters	Publications
(-)-Epicatechin	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-sulfate-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Hydroxyphenyl)-γ-valerolactone-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-3′,5′-disulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-4',5'-disulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-methoxy-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Dihydroxyphenyl)-γ-valerolactone-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Hydroxyphenyl)-γ-valerolactone-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-methoxy-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-4′-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-3′-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-valeric acid-sulfate-glucuronide	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate	Microbiota	Effect, clusters	Publications
(-)-Epicatechin	5-(Phenyl)-γ-valerolactone-sulfate	Microbiota	Effect, clusters	Publications

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