PhytoHub: Showing entry for Chrysin

Chrysin

Identification

PhytoHub ID

PHUB000870

Name

Chrysin

Systematic Name

Not Available

Synonyms

5,7-Dihydroxyflavone

CAS Number

Not Available

Average Mass

254.241

Monoisotopic Mass

254.057908802

Chemical Formula

C₁₅H₁₀O₄

IUPAC Name

5,7-dihydroxy-2-phenyl-4H-chromen-4-one

InChI Key

RTIXKCRFFJGDFG-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

SMILES

OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.05e-01 g/l
LogS (ALOGPS): -3.38
LogP (ALOGPS): 3.44
Hydrogen Acceptors: 4
Hydrogen Donors: 2
Rotatable Bond Count: 1
Polar Surface Area: 66.76
Refractivity: 70.933
Polarizability: 25.727745149733636
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -5.382203662884746
pKa (strongest acidic): 6.577777051084265
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: Flavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Flavones
Direct Parent Name: Flavones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["7-hydroxyflavonol", "Flavones and Flavonols", "dihydroxyflavone", "flavones"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.016);(71.0,0.017);(72.0,0.022);(76.0,0.061);(77.0,0.247);(78.0,0.027);(79.0,0.032);(80.0,0.004);(81.0,0.012);(82.0,0.008);(83.0,0.044);(84.0,0.01);(85.0,0.03);(86.0,0.013);(87.0,0.027);(88.0,0.011);(89.0,0.029);(90.0,0.025);(91.0,0.034);(92.0,0.008);(93.0,0.026);(94.0,0.006);(95.0,0.015);(96.0,0.014);(97.0,0.013);(98.0,0.015);(99.0,0.066);(100.0,0.01);(101.0,0.024);(102.0,0.04);(103.0,0.039);(104.0,0.011);(105.0,0.169);(106.0,0.02);(107.0,0.029);(108.0,0.008);(109.0,0.023);(110.0,0.009);(111.0,0.016);(112.0,0.006);(113.0,0.013);(114.0,0.007);(115.0,0.035);(116.0,0.007);(117.0,0.018);(118.0,0.02);(119.0,0.026);(120.0,0.01);(121.0,0.019);(122.0,0.006);(123.0,0.014);(124.0,0.009);(125.0,0.024);(126.0,0.022);(127.0,0.015);(128.0,0.01);(129.0,0.068);(130.0,0.01);(131.0,0.028);(132.0,0.032);(133.0,0.084);(134.0,0.015);(135.0,0.032);(136.0,0.007);(137.0,0.016);(138.0,0.011);(139.0,0.044);(140.0,0.052);(141.0,0.02);(142.0,0.004);(143.0,0.015);(144.0,0.004);(145.0,0.016);(146.0,0.007);(150.0,0.026);(151.0,0.038);(152.0,0.049);(153.0,0.034);(154.0,0.037);(155.0,0.021);(156.0,0.006);(157.0,0.006);(158.0,0.002);(159.0,0.026);(160.0,0.009);(161.0,0.035);(162.0,0.019);(163.0,0.054);(164.0,0.024);(165.0,0.045);(166.0,0.012);(167.0,0.017);(168.0,0.01);(169.0,0.104);(170.0,0.021);(171.0,0.006);(172.0,0.002);(173.0,0.005);(174.0,0.007);(175.0,0.026);(176.0,0.084);(177.0,0.038);(178.0,0.032);(179.0,0.027);(180.0,0.012);(181.0,0.018);(182.0,0.008);(183.0,0.023);(184.0,0.386);(185.0,0.061);(186.0,0.005);(187.0,0.007);(188.0,0.005);(189.0,0.02);(190.0,0.009);(191.0,0.02);(192.0,0.008);(193.0,0.012);(194.0,0.005);(195.0,0.019);(196.0,0.005);(197.0,0.007);(198.0,0.002);(199.0,0.003);(200.0,0.003);(201.0,0.004);(202.0,0.008);(203.0,0.008);(204.0,0.004);(205.0,0.018);(206.0,0.007);(207.0,0.021);(208.0,0.008);(209.0,0.013);(210.0,0.004);(211.0,0.013);(212.0,0.004);(213.0,0.006);(214.0,0.002);(215.0,0.004);(216.0,0.002);(217.0,0.005);(218.0,0.003);(219.0,0.009);(220.0,0.006);(221.0,0.014);(222.0,0.007);(223.0,0.023);(224.0,0.008);(225.0,0.007);(226.0,0.004);(227.0,0.003);(228.0,0.002);(229.0,0.004);(230.0,0.001);(231.0,0.005);(232.0,0.002);(233.0,0.006);(234.0,0.005);(235.0,0.017);(236.0,0.013);(237.0,0.015);(238.0,0.005);(239.0,0.009);(240.0,0.003);(241.0,0.003);(242.0,0.001);(243.0,0.002);(244.0,0.001);(245.0,0.002);(246.0,0.001);(247.0,0.007);(248.0,0.004);(249.0,0.016);(250.0,0.007);(251.0,0.02);(252.0,0.012);(253.0,0.023);(254.0,0.008);(255.0,0.006);(256.0,0.002);(257.0,0.001);(258.0,0.001);(259.0,0.001);(260.0,0.002);(261.0,0.004);(262.0,0.003);(263.0,0.019);(264.0,0.011);(265.0,0.031);(266.0,0.012);(267.0,0.01);(268.0,0.004);(269.0,0.005);(270.0,0.002);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.003);(276.0,0.003);(277.0,0.008);(278.0,0.008);(279.0,0.019);(280.0,0.013);(281.0,0.115);(282.0,0.078);(283.0,0.025);(284.0,0.007);(285.0,0.002);(286.0,0.001);(287.0,0.001);(288.0,0.001);(289.0,0.001);(290.0,0.002);(291.0,0.006);(292.0,0.005);(293.0,0.061);(294.0,0.035);(295.0,0.032);(296.0,0.011);(297.0,0.039);(298.0,0.01);(299.0,0.004);(300.0,0.001);(301.0,0.001);(302.0,0.001);(303.0,0.001);(304.0,0.001);(305.0,0.003);(306.0,0.003);(307.0,0.01);(308.0,0.019);(309.0,0.023);(310.0,0.036);(311.0,0.432);(312.0,0.111);(313.0,0.037);(314.0,0.009);(315.0,0.002);(316.0,0.001);(317.0,0.001);(318.0,0.001);(319.0,0.001);(320.0,0.001);(321.0,0.004);(322.0,0.003);(323.0,0.012);(324.0,0.005);(325.0,0.016);(326.0,0.007);(327.0,0.003);(328.0,0.001);(329.0,0.001);(330.0,0.0);(331.0,0.0);(332.0,0.0);(333.0,0.001);(334.0,0.001);(335.0,0.002);(336.0,0.002);(337.0,0.008);(338.0,0.005);(339.0,0.004);(340.0,0.003);(341.0,0.002);(342.0,0.001);(343.0,0.001);(344.0,0.001);(345.0,0.001);(346.0,0.001);(347.0,0.002);(348.0,0.002);(349.0,0.002);(350.0,0.003);(351.0,0.01);(352.0,0.008);(353.0,0.023);(354.0,0.016);(355.0,0.006);(356.0,0.003);(357.0,0.001);(358.0,0.001);(359.0,0.001);(360.0,0.001);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.003);(366.0,0.003);(367.0,0.008);(368.0,0.005);(369.0,0.002);(370.0,0.001);(371.0,0.0);(373.0,0.0);(374.0,0.0);(375.0,0.0);(376.0,0.0);(377.0,0.001);(378.0,0.001);(379.0,0.003);(380.0,0.01);(381.0,0.047);(382.0,0.176);(383.0,1.0);(384.0,0.381);(385.0,0.148);(386.0,0.035);(387.0,0.008);(388.0,0.002);(389.0,0.001);(390.0,0.001);(391.0,0.0);(392.0,0.0);(393.0,0.0);(394.0,0.0);(395.0,0.001);(396.0,0.003);(397.0,0.008);(398.0,0.004);(399.0,0.002);(400.0,0.0);(404.0,0.0);(405.0,0.0);(406.0,0.0);(407.0,0.0);(408.0,0.0);(409.0,0.0);(410.0,0.0);(411.0,0.0);(422.0,0.0);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.0);(427.0,0.0);(428.0,0.0);(439.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(444.0,0.0);(445.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(461.0,0.0);(462.0,0.0);(463.0,0.0);(465.0,0.0);(477.0,0.0);(482.0,0.0);(568.0,0.0);(595.0,0.0)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.016);(71.0,0.017);(72.0,0.022);(76.0,0.061);(77.0,0.247);(78.0,0.027);(79.0,0.032);(80.0,0.004);(81.0,0.012);(82.0,0.008);(83.0,0.044);(84.0,0.01);(85.0,0.03);(86.0,0.013);(87.0,0.027);(88.0,0.011);(89.0,0.029);(90.0,0.025);(91.0,0.034);(92.0,0.008);(93.0,0.026);(94.0,0.006);(95.0,0.015);(96.0,0.014);(97.0,0.013);(98.0,0.015);(99.0,0.066);(100.0,0.01);(101.0,0.024);(102.0,0.04);(103.0,0.039);(104.0,0.011);(105.0,0.169);(106.0,0.02);(107.0,0.029);(108.0,0.008);(109.0,0.023);(110.0,0.009);(111.0,0.016);(112.0,0.006);(113.0,0.013);(114.0,0.007);(115.0,0.035);(116.0,0.007);(117.0,0.018);(118.0,0.02);(119.0,0.026);(120.0,0.01);(121.0,0.019);(122.0,0.006);(123.0,0.014);(124.0,0.009);(125.0,0.024);(126.0,0.022);(127.0,0.015);(128.0,0.01);(129.0,0.068);(130.0,0.01);(131.0,0.028);(132.0,0.032);(133.0,0.084);(134.0,0.015);(135.0,0.032);(136.0,0.007);(137.0,0.016);(138.0,0.011);(139.0,0.044);(140.0,0.052);(141.0,0.02);(142.0,0.004);(143.0,0.015);(144.0,0.004);(145.0,0.016);(146.0,0.007);(150.0,0.026);(151.0,0.038);(152.0,0.049);(153.0,0.034);(154.0,0.037);(155.0,0.021);(156.0,0.006);(157.0,0.006);(158.0,0.002);(159.0,0.026);(160.0,0.009);(161.0,0.035);(162.0,0.019);(163.0,0.054);(164.0,0.024);(165.0,0.045);(166.0,0.012);(167.0,0.017);(168.0,0.01);(169.0,0.104);(170.0,0.021);(171.0,0.006);(172.0,0.002);(173.0,0.005);(174.0,0.007);(175.0,0.026);(176.0,0.084);(177.0,0.038);(178.0,0.032);(179.0,0.027);(180.0,0.012);(181.0,0.018);(182.0,0.008);(183.0,0.023);(184.0,0.386);(185.0,0.061);(186.0,0.005);(187.0,0.007);(188.0,0.005);(189.0,0.02);(190.0,0.009);(191.0,0.02);(192.0,0.008);(193.0,0.012);(194.0,0.005);(195.0,0.019);(196.0,0.005);(197.0,0.007);(198.0,0.002);(199.0,0.003);(200.0,0.003);(201.0,0.004);(202.0,0.008);(203.0,0.008);(204.0,0.004);(205.0,0.018);(206.0,0.007);(207.0,0.021);(208.0,0.008);(209.0,0.013);(210.0,0.004);(211.0,0.013);(212.0,0.004);(213.0,0.006);(214.0,0.002);(215.0,0.004);(216.0,0.002);(217.0,0.005);(218.0,0.003);(219.0,0.009);(220.0,0.006);(221.0,0.014);(222.0,0.007);(223.0,0.023);(224.0,0.008);(225.0,0.007);(226.0,0.004);(227.0,0.003);(228.0,0.002);(229.0,0.004);(230.0,0.001);(231.0,0.005);(232.0,0.002);(233.0,0.006);(234.0,0.005);(235.0,0.017);(236.0,0.013);(237.0,0.015);(238.0,0.005);(239.0,0.009);(240.0,0.003);(241.0,0.003);(242.0,0.001);(243.0,0.002);(244.0,0.001);(245.0,0.002);(246.0,0.001);(247.0,0.007);(248.0,0.004);(249.0,0.016);(250.0,0.007);(251.0,0.02);(252.0,0.012);(253.0,0.023);(254.0,0.008);(255.0,0.006);(256.0,0.002);(257.0,0.001);(258.0,0.001);(259.0,0.001);(260.0,0.002);(261.0,0.004);(262.0,0.003);(263.0,0.019);(264.0,0.011);(265.0,0.031);(266.0,0.012);(267.0,0.01);(268.0,0.004);(269.0,0.005);(270.0,0.002);(271.0,0.001);(272.0,0.001);(273.0,0.001);(274.0,0.001);(275.0,0.003);(276.0,0.003);(277.0,0.008);(278.0,0.008);(279.0,0.019);(280.0,0.013);(281.0,0.115);(282.0,0.078);(283.0,0.025);(284.0,0.007);(285.0,0.002);(286.0,0.001);(287.0,0.001);(288.0,0.001);(289.0,0.001);(290.0,0.002);(291.0,0.006);(292.0,0.005);(293.0,0.061);(294.0,0.035);(295.0,0.032);(296.0,0.011);(297.0,0.039);(298.0,0.01);(299.0,0.004);(300.0,0.001);(301.0,0.001);(302.0,0.001);(303.0,0.001);(304.0,0.001);(305.0,0.003);(306.0,0.003);(307.0,0.01);(308.0,0.019);(309.0,0.023);(310.0,0.036);(311.0,0.432);(312.0,0.111);(313.0,0.037);(314.0,0.009);(315.0,0.002);(316.0,0.001);(317.0,0.001);(318.0,0.001);(319.0,0.001);(320.0,0.001);(321.0,0.004);(322.0,0.003);(323.0,0.012);(324.0,0.005);(325.0,0.016);(326.0,0.007);(327.0,0.003);(328.0,0.001);(329.0,0.001);(330.0,0.0);(331.0,0.0);(332.0,0.0);(333.0,0.001);(334.0,0.001);(335.0,0.002);(336.0,0.002);(337.0,0.008);(338.0,0.005);(339.0,0.004);(340.0,0.003);(341.0,0.002);(342.0,0.001);(343.0,0.001);(344.0,0.001);(345.0,0.001);(346.0,0.001);(347.0,0.002);(348.0,0.002);(349.0,0.002);(350.0,0.003);(351.0,0.01);(352.0,0.008);(353.0,0.023);(354.0,0.016);(355.0,0.006);(356.0,0.003);(357.0,0.001);(358.0,0.001);(359.0,0.001);(360.0,0.001);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.003);(366.0,0.003);(367.0,0.008);(368.0,0.005);(369.0,0.002);(370.0,0.001);(371.0,0.0);(373.0,0.0);(374.0,0.0);(375.0,0.0);(376.0,0.0);(377.0,0.001);(378.0,0.001);(379.0,0.003);(380.0,0.01);(381.0,0.047);(382.0,0.176);(383.0,1.0);(384.0,0.381);(385.0,0.148);(386.0,0.035);(387.0,0.008);(388.0,0.002);(389.0,0.001);(390.0,0.001);(391.0,0.0);(392.0,0.0);(393.0,0.0);(394.0,0.0);(395.0,0.001);(396.0,0.003);(397.0,0.008);(398.0,0.004);(399.0,0.002);(400.0,0.0);(404.0,0.0);(405.0,0.0);(406.0,0.0);(407.0,0.0);(408.0,0.0);(409.0,0.0);(410.0,0.0);(411.0,0.0);(422.0,0.0);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.0);(427.0,0.0);(428.0,0.0);(439.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(444.0,0.0);(445.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(461.0,0.0);(462.0,0.0);(463.0,0.0);(465.0,0.0);(477.0,0.0);(482.0,0.0);(568.0,0.0);(595.0,0.0)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,2.202202);(86.0,0.700701);(87.0,1.801802);(88.0,0.600601);(89.0,2.202202);(90.0,1.801802);(91.0,2.502503);(92.0,0.500501);(93.0,1.901902);(94.0,0.3003);(95.0,1.001001);(96.0,1.201201);(97.0,0.800801);(98.0,0.800801);(99.0,4.904905);(100.0,0.600601);(101.0,1.601602);(102.0,3.303303);(103.0,3.003003);(104.0,0.700701);(105.0,12.912913);(106.0,1.301301);(107.0,2.102102);(108.0,0.500501);(109.0,1.501502);(110.0,0.4004);(111.0,0.900901);(112.0,0.3003);(113.0,0.700701);(114.0,0.3003);(115.0,2.502503);(116.0,0.3003);(117.0,1.101101);(118.0,1.301301);(119.0,1.801802);(120.0,0.500501);(121.0,1.101101);(122.0,0.3003);(123.0,0.900901);(124.0,0.500501);(125.0,1.501502);(126.0,1.301301);(127.0,1.001001);(128.0,0.4004);(129.0,4.704705);(130.0,0.500501);(131.0,1.801802);(132.0,2.002002);(133.0,5.905906);(134.0,0.900901);(135.0,2.102102);(136.0,0.3003);(137.0,0.900901);(138.0,0.500501);(139.0,2.602603);(140.0,3.303303);(141.0,1.101101);(142.0,0.2002);(143.0,0.800801);(144.0,0.2002);(145.0,1.001001);(146.0,0.3003);(147.0,2.402402);(148.0,2.302302);(149.0,1.001001);(150.0,1.301301);(151.0,2.302302);(152.0,3.103103);(153.0,2.102102);(154.0,2.302302);(155.0,1.101101);(156.0,0.3003);(157.0,0.3003);(159.0,1.601602);(160.0,0.4004);(161.0,2.102102);(162.0,0.900901);(163.0,3.403403);(164.0,1.301301);(165.0,2.902903);(166.0,0.700701);(167.0,0.900901);(168.0,0.500501);(169.0,6.606607);(170.0,0.900901);(171.0,0.2002);(173.0,0.2002);(174.0,0.3003);(175.0,1.301301);(176.0,5.205205);(177.0,2.302302);(178.0,1.801802);(179.0,1.501502);(180.0,0.600601);(181.0,0.900901);(182.0,0.3003);(183.0,1.201201);(184.0,22.422422);(185.0,4.004004);(186.0,0.2002);(187.0,0.3003);(188.0,0.1001);(189.0,0.900901);(190.0,0.4004);(191.0,1.301301);(192.0,0.4004);(193.0,0.800801);(194.0,0.2002);(195.0,1.001001);(196.0,0.2002);(197.0,0.3003);(198.0,0.1001);(199.0,0.1001);(201.0,0.1001);(202.0,0.3003);(203.0,0.3003);(204.0,0.1001);(205.0,0.900901);(206.0,0.2002);(207.0,1.301301);(208.0,0.500501);(209.0,0.700701);(210.0,0.1001);(211.0,0.600601);(212.0,0.1001);(213.0,0.2002);(215.0,0.1001);(217.0,0.2002);(218.0,0.1001);(219.0,0.4004);(220.0,0.2002);(221.0,0.700701);(222.0,0.3003);(223.0,1.201201);(224.0,0.3003);(225.0,0.4004);(226.0,0.1001);(227.0,0.1001);(229.0,0.1001);(231.0,0.1001);(233.0,0.2002);(234.0,0.2002);(235.0,0.800801);(236.0,0.600601);(237.0,0.700701);(238.0,0.2002);(239.0,0.4004);(240.0,0.1001);(247.0,0.3003);(248.0,0.1001);(249.0,0.700701);(250.0,0.2002);(251.0,1.001001);(252.0,0.600601);(253.0,1.201201);(254.0,0.4004);(255.0,0.3003);(256.0,0.1001);(261.0,0.1001);(263.0,0.900901);(264.0,0.4004);(265.0,1.701702);(266.0,0.500501);(267.0,0.500501);(268.0,0.1001);(269.0,0.2002);(275.0,0.1001);(277.0,0.3003);(278.0,0.3003);(279.0,0.900901);(280.0,0.500501);(281.0,6.406406);(282.0,4.204204);(283.0,1.201201);(284.0,0.2002);(285.0,0.1001);(291.0,0.2002);(292.0,0.2002);(293.0,3.503504);(294.0,1.901902);(295.0,1.701702);(296.0,0.500501);(297.0,2.502503);(298.0,0.500501);(299.0,0.1001);(306.0,0.1001);(307.0,0.4004);(308.0,0.900901);(309.0,1.101101);(310.0,1.801802);(311.0,23.923924);(312.0,6.406406);(313.0,1.801802);(314.0,0.3003);(321.0,0.1001);(322.0,0.1001);(323.0,0.600601);(324.0,0.2002);(325.0,0.800801);(326.0,0.500501);(327.0,0.1001);(337.0,0.4004);(338.0,0.1001);(339.0,0.1001);(349.0,0.1001);(350.0,0.1001);(351.0,0.500501);(352.0,0.3003);(353.0,1.401401);(354.0,0.600601);(355.0,0.2002);(365.0,0.1001);(366.0,0.1001);(367.0,0.600601);(368.0,0.2002);(369.0,0.1001);(380.0,0.3003);(381.0,2.702703);(382.0,11.611612);(383.0,100.0);(384.0,40.540541);(385.0,14.914915);(386.0,3.603604);(387.0,0.700701);(388.0,0.1001);(397.0,0.700701);(398.0,0.3003);(399.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,2.001974243);(63.02292522,1.311116128);(100.0307498,1.521047507);(101.0385744,3.112718712);(102.046399,5.558078303);(103.0542236,4.414654539);(128.0256639,3.093310513);(129.0334885,2.595519617);(144.020578,1.52938471);(150.0311413,6.828395291);(151.0389659,2.138646281);(152.0104062,3.183014719);(153.0182308,2.140425387);(184.0518764,2.986255311);(185.059701,1.068747465);(186.0675256,1.723552876);(200.0104062,1.688668453);(210.0311413,3.712505539);(212.0467905,3.024442959);(213.0546151,1.357230118);(224.0104062,1.172995062);(226.0260554,2.305367796);(226.0624397,9.22774931);(227.03388,1.312451658);(227.0658287,1.470347441);(228.0417046,1.412944323);(229.0495292,1.20581156);(238.0260554,2.609554194);(239.03388,2.880027782);(254.0573538,18.28756096);(255.0607424,3.12550124)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,10.96633201);(74.04796012,0.9383477566);(89.04171392,1.164742076);(99.02606472,0.9087871423);(101.0385744,1.699236719);(102.046399,1.78494462);(103.0542236,3.513093968);(113.0417139,1.158636504);(115.0573631,1.360778861);(119.0491377,1.742933049);(129.0334885,2.012548412);(237.0761518,1.215450467);(252.0996256,1.052462784);(267.0471913,0.8798540282);(279.0867151,0.9061023139);(281.06598,1.005220709);(284.0863143,1.674472015);(285.0941389,1.807090578);(294.1101889,1.153972592);(311.0734038,3.245623823);(324.0812284,0.9732139917);(325.089053,4.067638132);(326.091694,1.042026305);(326.0968776,2.37354732);(327.1047022,1.872469918);(355.1180135,2.264341062);(370.1414873,1.061417115);(382.105103,0.9763827953);(383.1129276,5.531261767);(384.1151556,1.825853095);(398.1364014,1.155219896)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(25.00727602,0.9209700857);(39.02292522,1.021380094);(63.02292522,0.9501069039);(100.0307498,1.276144921);(101.0385744,2.138367178);(102.046399,4.897459615);(103.0542236,3.491384654);(126.0311413,1.159594277);(128.0256639,1.701116333);(129.0334885,1.439237695);(150.0311413,4.597249567);(151.0389659,1.549780796);(152.0104062,1.855076741);(153.0182308,1.450447571);(184.0518764,2.332514365);(186.0675256,1.371660687);(200.0104062,1.392659366);(210.0311413,2.514688887);(212.0467905,2.238457698);(213.0546151,1.151988418);(224.0104062,0.8500167784);(226.0260554,1.670596381);(226.0624397,7.9703139);(227.03388,0.9510747023);(227.0658287,1.269987974);(228.0417046,1.023897218);(229.0495292,0.8737974187);(238.0260554,1.855729845);(239.03388,2.181899196);(254.0573538,13.12942737);(255.0607424,2.243931906)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(224.043,307.0);(225.0502,136.0);(421.1082,21.0);(429.079,38.0);(430.0848,37.0);(431.0927,52.0);(432.0995,97.0);(433.1024,28.0);(448.0947,403.0);(449.102,999.0);(450.1077,277.0);(451.1123,21.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(101.0396,1.0);(107.0136,9.0);(108.016,2.0);(115.0541,8.0);(117.0329,3.0);(119.0496,21.0);(120.0536,2.0);(121.0288,2.0);(125.0386,1.0);(127.0518,1.0);(129.0381,1.0);(129.0757,1.0);(139.0547,3.0);(140.0585,1.0);(141.0317,1.0);(141.0725,1.0);(143.0499,79.0);(144.0539,9.0);(145.0292,43.0);(145.058,1.0);(146.0325,3.0);(148.016,5.0);(149.0184,1.0);(151.0032,14.0);(152.0049,2.0);(152.0649,1.0);(153.0704,4.0);(154.0743,1.0);(155.049,5.0);(156.0512,1.0);(157.0641,3.0);(165.0705,12.0);(166.0752,2.0);(167.0498,12.0);(168.0526,3.0);(169.0294,1.0);(169.0648,1.0);(171.0798,1.0);(180.0588,10.0);(181.0651,18.0);(182.0682,2.0);(183.0431,5.0);(184.0515,1.0);(185.0603,16.0);(186.0632,3.0);(187.0392,6.0);(188.0369,1.0);(191.0517,1.0);(196.0466,1.0);(197.0586,2.0);(208.0517,4.0);(209.0602,65.0);(210.0656,9.0);(211.0388,18.0);(211.0746,1.0);(212.0409,2.0);(224.0541,1.0);(225.0542,13.0);(226.06,1.0);(252.2708,1.0);(252.5695,1.0);(252.6893,1.0);(252.791,1.0);(252.9831,2.0);(253.0507,999.0);(254.0539,144.0);(255.0563,21.0);(255.6313,1.0);(256.0414,1.0);(256.0652,1.0);(256.9513,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(101.0413,400.0);(107.0154,340.0);(108.0198,25.0);(115.0573,179.0);(117.0357,82.0);(119.0523,647.0);(120.0252,24.0);(120.0553,39.0);(121.033,66.0);(127.0577,21.0);(139.0571,26.0);(141.0353,40.0);(141.0724,18.0);(143.0527,999.0);(144.0555,83.0);(145.0319,465.0);(146.0348,26.0);(148.0184,22.0);(151.007,112.0);(151.0597,20.0);(153.0721,42.0);(155.0532,55.0);(156.0543,18.0);(157.0691,47.0);(165.0745,101.0);(167.0556,84.0);(169.0336,23.0);(169.0736,20.0);(180.0617,30.0);(181.0677,67.0);(183.0497,29.0);(185.0617,34.0);(197.0643,26.0);(208.0568,19.0);(209.0609,70.0);(253.0546,203.0);(254.057,47.0);(255.0592,19.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(253.0557,999.0);(253.5722,2.0);(254.0578,95.0);(255.0598,14.0);(507.1156,4.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(101.0396,1.0);(107.0136,9.0);(108.016,2.0);(115.0541,8.0);(117.0329,3.0);(119.0496,21.0);(120.0536,2.0);(121.0288,2.0);(125.0386,1.0);(127.0518,1.0);(129.0381,1.0);(129.0757,1.0);(139.0547,3.0);(140.0585,1.0);(141.0317,1.0);(141.0725,1.0);(143.0499,79.0);(144.0539,9.0);(145.0292,43.0);(145.058,1.0);(146.0325,3.0);(148.016,5.0);(149.0184,1.0);(151.0032,14.0);(152.0049,2.0);(152.0649,1.0);(153.0704,4.0);(154.0743,1.0);(155.049,5.0);(156.0512,1.0);(157.0641,3.0);(165.0705,12.0);(166.0752,2.0);(167.0498,12.0);(168.0526,3.0);(169.0294,1.0);(169.0648,1.0);(171.0798,1.0);(180.0588,10.0);(181.0651,18.0);(182.0682,2.0);(183.0431,5.0);(184.0515,1.0);(185.0603,16.0);(186.0632,3.0);(187.0392,6.0);(188.0369,1.0);(191.0517,1.0);(196.0466,1.0);(197.0586,2.0);(208.0517,4.0);(209.0602,65.0);(210.0656,9.0);(211.0388,18.0);(211.0746,1.0);(212.0409,2.0);(224.0541,1.0);(225.0542,13.0);(226.06,1.0);(252.2708,1.0);(252.5695,1.0);(252.6893,1.0);(252.791,1.0);(252.9831,2.0);(253.0507,999.0);(254.0539,144.0);(255.0563,21.0);(255.6313,1.0);(256.0414,1.0);(256.0652,1.0);(256.9513,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(101.0413,400.0);(107.0154,340.0);(108.0198,25.0);(115.0573,179.0);(117.0357,82.0);(119.0523,647.0);(120.0252,24.0);(120.0553,39.0);(121.033,66.0);(127.0577,21.0);(139.0571,26.0);(141.0353,40.0);(141.0724,18.0);(143.0527,999.0);(144.0555,83.0);(145.0319,465.0);(146.0348,26.0);(148.0184,22.0);(151.007,112.0);(151.0597,20.0);(153.0721,42.0);(155.0532,55.0);(156.0543,18.0);(157.0691,47.0);(165.0745,101.0);(167.0556,84.0);(169.0336,23.0);(169.0736,20.0);(180.0617,30.0);(181.0677,67.0);(183.0497,29.0);(185.0617,34.0);(197.0643,26.0);(208.0568,19.0);(209.0609,70.0);(253.0546,203.0);(254.057,47.0);(255.0592,19.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(115.053963,239.0);(119.047813,984.0);(139.052139,727.0);(141.067795,222.0);(143.047928,13438.0);(144.049271,807.0);(145.026306,5574.0);(146.031143,309.0);(148.013626,457.0);(151.000824,1984.0);(152.059479,266.0);(153.066147,727.0);(155.046555,796.0);(157.063324,471.0);(165.066666,2210.0);(166.070587,199.0);(167.048035,2412.0);(169.060715,282.0);(171.077744,411.0);(180.054443,1623.0);(181.062576,3388.0);(182.06459,300.0);(183.040009,925.0);(185.057083,2955.0);(186.061813,228.0);(187.035645,799.0);(189.463989,204.0);(197.057693,801.0);(208.049408,787.0);(209.057922,8568.0);(210.060959,755.0);(211.034607,2528.0);(212.039993,232.0);(224.043533,250.0);(225.053833,1195.0);(253.046127,66034.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(115.051117,580.0);(125.020943,755.0);(127.0513,291.0);(128.057816,507.0);(129.030273,9477.0);(132.728958,404.0);(139.049637,2625.0);(141.065643,717.0);(145.054855,1000.0);(147.040253,5151.0);(148.043427,261.0);(151.048065,332.0);(152.057114,8561.0);(153.013901,44122.0);(154.016464,1779.0);(155.055527,580.0);(157.062393,413.0);(163.05043,263.0);(165.064789,359.0);(167.045166,533.0);(169.059601,1168.0);(171.028046,4912.0);(179.055267,486.0);(181.060745,3304.0);(186.062012,751.0);(187.069016,1260.0);(199.071472,402.0);(209.05481,3538.0);(210.058838,354.0);(211.035553,289.0);(213.047943,1785.0);(226.056778,251.0);(227.062836,376.0);(231.057373,555.0);(237.048218,1291.0);(255.058517,50045.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(253.051,100.0);(254.0543,16.126768);(255.057,1.899509)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(209.0607,1.131764);(253.0504,100.0);(254.0537,16.853695);(255.0562,2.236673)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0141,3.475898);(119.0503,2.671292);(143.0501,9.891289);(144.0533,1.122872);(145.0292,4.870548);(151.0034,2.338721);(165.071,1.995423);(167.0498,1.834502);(180.0582,1.315978);(181.0656,2.782148);(185.0609,3.783436);(187.0395,1.09784);(197.06,1.054928);(209.0606,9.558718);(210.0642,1.348162);(211.0401,2.606923);(225.0556,1.30525);(253.0506,100.0);(254.0539,16.281648);(255.0562,2.238592)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(89.0035,3.534846);(101.0401,8.39526);(107.0143,18.638281);(115.0551,7.210283);(119.0502,43.904398);(120.0534,3.87628);(139.0551,5.342438);(143.0501,100.0);(144.0538,10.484033);(145.0293,47.338823);(146.033,4.097208);(151.0037,9.299056);(153.0713,3.193412);(155.05,6.326572);(157.066,2.912231);(165.0706,7.250452);(167.0501,12.171119);(168.0541,2.16911);(169.0658,2.209279);(180.0577,4.860414);(181.0656,9.740912);(183.045,3.73569);(185.0608,8.053826);(187.0394,2.008435);(197.0613,2.771641);(208.0534,3.755774);(209.0608,19.240811);(210.0642,2.510544);(211.0408,6.185981);(225.0557,2.570797);(253.051,62.442257);(254.0543,10.082346)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(89.0039,5.524006);(101.0399,26.794011);(107.0136,20.030976);(115.0553,20.289107);(117.0347,5.730511);(119.0502,85.183273);(120.0533,9.447599);(139.0556,7.589055);(143.05,100.0);(144.054,8.931337);(145.0293,73.722251);(146.0324,9.654104);(151.0027,5.265875);(155.0496,8.311822);(165.071,6.143521);(167.0503,12.648425);(169.0649,5.524006);(181.0668,5.265875);(253.0512,9.447599)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(101.0388,0.061091);(107.0151,0.234391);(115.0566,0.108468);(117.0343,0.036156);(118.4439,0.039896);(119.0483,0.026182);(121.0294,0.058598);(131.7029,0.024935);(133.2249,0.053611);(134.9792,0.057351);(139.0566,0.029922);(140.2202,0.037403);(141.2373,0.063585);(143.0485,0.529872);(145.0277,0.340365);(151.0022,0.051117);(152.0618,0.048624);(153.0699,0.062338);(155.0517,0.04613);(165.0715,0.140884);(167.0501,0.09226);(171.0924,0.026182);(171.8888,0.027429);(176.6389,0.027429);(180.0562,0.145871);(181.0775,0.061091);(183.0438,0.057351);(185.0559,0.104728);(187.045,0.074806);(197.0604,0.033662);(208.0581,0.032416);(209.0617,0.476262);(209.1234,0.052364);(211.0393,0.13465);(251.0912,0.041143);(252.693,0.028675);(252.9669,0.089767);(253.0501,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(101.0409,0.138063);(107.0128,2.186741);(107.0418,0.100207);(107.1088,0.04899);(111.0157,0.04899);(115.0556,0.131383);(119.0499,0.432004);(121.0314,0.084619);(125.0353,0.064578);(139.0544,0.198187);(143.0488,2.943862);(143.0875,0.122475);(145.0273,1.307146);(145.0396,0.073485);(145.063,0.055671);(148.0146,0.387467);(151.0027,0.75044);(151.0334,0.055671);(153.0708,0.463179);(155.0468,0.209321);(157.0567,0.046763);(157.0654,0.167012);(165.0693,0.732625);(167.0492,0.505489);(169.0667,0.080166);(175.0063,0.064578);(180.0576,0.910771);(181.065,1.120093);(181.0991,0.069032);(183.0455,0.23827);(185.0603,1.051061);(187.0394,0.213775);(191.0528,0.046763);(197.0561,0.102434);(197.0709,0.044536);(208.0521,0.318436);(208.9878,0.064578);(209.0599,4.019418);(209.1033,0.102434);(209.1181,0.100207);(209.1973,0.04899);(211.0377,0.899637);(211.0596,0.053444);(219.3557,0.051217);(225.0555,0.46986);(232.3946,0.046763);(253.0038,0.055671);(253.0499,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(100.4298,1.663586);(101.0395,55.341959);(101.0631,1.330869);(101.0901,0.850277);(101.1318,0.998152);(106.0032,0.998152);(107.0143,44.362292);(107.0411,1.219963);(114.0449,0.77634);(115.0559,23.327172);(115.0869,1.03512);(117.0335,4.547135);(119.0124,0.850277);(119.0499,71.977819);(119.0848,2.255083);(119.1245,1.146026);(119.1508,1.182994);(119.7731,1.109057);(121.0243,1.404806);(125.0377,3.881701);(127.0543,5.730129);(129.0374,1.589649);(132.0229,1.441774);(138.0473,1.81146);(139.054,7.874307);(141.0338,3.142329);(142.0464,1.182994);(143.0496,100.0);(143.0754,3.068392);(143.0831,1.03512);(143.0934,1.109057);(143.1031,1.146026);(143.1337,0.813309);(143.1609,1.478743);(143.2565,0.77634);(145.0285,57.375231);(145.0534,0.887246);(145.0625,1.700555);(147.0119,1.922366);(148.0147,0.813309);(150.9332,1.848429);(151.0036,5.212569);(152.0628,2.439926);(153.0733,1.663586);(155.0489,11.68207);(156.3393,0.739372);(157.0664,3.179298);(165.0321,1.219963);(165.0704,12.236599);(166.0431,0.850277);(167.0483,17.005545);(169.0344,2.181146);(169.0669,2.476895);(180.0553,3.401109);(181.0655,7.726433);(181.0834,0.998152);(183.0426,2.550832);(185.0644,5.286506);(194.0332,0.850277);(195.0454,1.367837);(197.0609,2.402957);(205.8429,1.072089);(207.0341,1.072089);(208.0512,5.730129);(209.0559,8.022181);(209.0668,1.700555);(211.0465,0.887246);(228.6876,1.330869);(235.0442,0.887246);(253.0478,12.310536)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(94.859745,0.118989);(96.881728,0.252737);(106.977357,0.087507);(143.02429,0.188266);(150.97006,0.342868);(153.045392,0.130053);(154.92634,0.302043);(156.949291,1.152406);(165.058827,0.344698);(167.053848,0.112901);(170.861113,0.065703);(172.855228,1.069628);(174.90527,0.10819);(180.066065,0.521241);(181.086123,0.64781);(182.076643,0.077775);(183.021518,0.098484);(185.028981,0.294506);(187.017087,0.138088);(188.871757,0.090868);(196.021934,0.072455);(197.081326,0.127803);(208.023938,0.164739);(209.07086,9.995544);(210.085169,0.40985);(211.073758,0.690851);(222.833338,0.057813);(224.087936,0.208913);(225.069361,1.141818);(226.154877,0.050812);(234.930094,0.167479);(253.057295,0.607111)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(78.833334,0.013047);(79.897091,0.02038);(80.916668,0.021216);(93.833335,0.010469);(94.938394,0.098137);(96.886952,1.658082);(97.869098,0.009594);(98.906968,0.127434);(106.833335,0.042514);(107.916668,0.009455);(108.10403,0.017575);(109.000002,0.029356);(110.916572,0.170742);(112.000002,0.012214);(114.919991,0.011211);(120.947942,0.01601);(124.500002,0.012688);(124.932816,0.069457);(126.906424,0.196448);(127.844574,0.015263);(134.795075,0.011885);(136.000003,0.047024);(136.931679,0.085623);(138.194212,0.00926);(138.500003,0.034979);(138.91486,0.215143);(140.000003,0.008609);(140.913721,0.103539);(141.91448,0.33822);(142.843244,0.091626);(144.000003,0.024778);(145.021363,0.024051);(149.023478,0.281919);(149.833336,0.016514);(150.083336,0.013615);(151.037105,0.008503);(152.902327,0.028247);(154.019515,0.009071);(154.909756,0.118146);(156.000003,0.029153);(156.88442,0.081165);(157.880016,0.052419);(158.936414,0.168443);(163.077839,0.154993);(163.66667,0.014407);(164.083337,0.047006);(168.839686,0.03605);(170.011849,0.011035);(170.41667,0.012688);(170.917914,0.333997);(171.934449,1.007228);(172.833337,0.016523);(172.927493,0.024976);(173.750004,0.008371);(174.000004,0.015908);(174.939121,0.053671);(177.000004,0.094677);(177.250004,0.05778);(179.250004,0.009715);(183.916671,0.011357);(185.083337,0.01079);(186.8161,0.013764);(188.843553,0.056245);(190.666671,0.014802);(191.11877,0.101861);(191.954364,0.023605);(196.694787,0.010784);(197.000004,0.008506);(198.927085,0.011447);(201.94816,0.010949);(202.916671,0.057975);(205.068879,0.12609);(206.090452,0.056341);(207.11433,0.230909);(208.106575,0.039592);(212.916672,0.009099);(214.250005,0.011177);(216.833338,0.05504);(217.083338,0.065663);(217.884249,0.613878);(218.990309,0.112944);(219.939724,0.208327);(224.707631,0.013065)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(180.500004,0.741866);(181.500004,0.822457);(209.577946,6.558095);(211.535613,0.921515);(253.337975,100.0);(254.027105,94.685324)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(165.42827,0.722168);(180.250004,1.135677);(181.250004,1.219315);(185.417583,0.57552);(209.432946,8.176365);(211.400281,1.219113);(253.312827,100.0);(254.037915,99.996678);(255.044126,0.595683)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(106.91943,2.562525);(138.987563,0.615553);(142.966393,6.156871);(144.939792,2.038383);(147.965904,1.27689);(150.92599,5.827555);(151.955945,0.600227);(153.002865,3.08331);(156.977145,0.730336);(165.016836,8.633573);(166.019051,0.809849);(166.994709,3.141014);(174.947385,0.543978);(180.000489,14.902908);(181.000574,17.185749);(182.00898,1.249316);(182.986479,2.661443);(185.003832,7.750646);(186.020071,0.574372);(186.983112,2.827017);(197.057372,1.452638);(208.0195,3.613319);(209.028243,100.0);(210.034321,9.943922);(211.008975,14.007011);(211.99316,1.027051);(224.033746,0.67273);(225.032337,7.155642);(253.065274,89.70387);(254.063447,7.952126)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(106.902485,2.53634);(138.960071,0.635369);(142.960664,6.104377);(144.957214,2.187673);(147.959652,1.026494);(150.913414,5.310517);(152.994434,3.143672);(157.005829,0.72285);(165.004355,8.713925);(165.998603,0.688291);(166.991501,3.149587);(180.020767,15.020644);(181.00956,16.110656);(182.032184,1.193338);(182.983199,2.615371);(185.00665,7.634976);(186.98841,2.771167);(197.02582,1.099827);(208.020101,3.533492);(209.01736,100.0);(210.023473,8.88792);(211.005628,13.943826);(212.002378,1.262752);(224.016455,0.902107);(225.032028,7.668668);(253.028765,71.348054);(254.038052,6.567362)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(101.0396,0.1001);(107.0136,0.900901);(108.016,0.2002);(115.0541,0.800801);(117.0329,0.3003);(119.0496,2.102102);(120.0536,0.2002);(121.0288,0.2002);(125.0386,0.1001);(127.0518,0.1001);(129.0381,0.1001);(129.0757,0.1001);(139.0547,0.3003);(140.0585,0.1001);(141.0317,0.1001);(141.0725,0.1001);(143.0499,7.907908);(144.0539,0.900901);(145.0292,4.304304);(145.058,0.1001);(146.0325,0.3003);(148.016,0.500501);(149.0184,0.1001);(151.0032,1.401401);(152.0049,0.2002);(152.0649,0.1001);(153.0704,0.4004);(154.0743,0.1001);(155.049,0.500501);(156.0512,0.1001);(157.0641,0.3003);(165.0705,1.201201);(166.0752,0.2002);(167.0498,1.201201);(168.0526,0.3003);(169.0294,0.1001);(169.0648,0.1001);(171.0798,0.1001);(180.0588,1.001001);(181.0651,1.801802);(182.0682,0.2002);(183.0431,0.500501);(184.0515,0.1001);(185.0603,1.601602);(186.0632,0.3003);(187.0392,0.600601);(188.0369,0.1001);(191.0517,0.1001);(196.0466,0.1001);(197.0586,0.2002);(208.0517,0.4004);(209.0602,6.506507);(210.0656,0.900901);(211.0388,1.801802);(211.0746,0.1001);(212.0409,0.2002);(224.0541,0.1001);(225.0542,1.301301);(226.06,0.1001);(252.2708,0.1001);(252.5695,0.1001);(252.6893,0.1001);(252.791,0.1001);(252.9831,0.2002);(253.0507,100.0);(254.0539,14.414414);(255.0563,2.102102);(255.6313,0.1001);(256.0414,0.1001);(256.0652,0.1001);(256.9513,0.1001)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(101.0413,40.04004);(107.0154,34.034034);(108.0198,2.502503);(115.0573,17.917918);(117.0357,8.208208);(119.0523,64.764765);(120.0252,2.402402);(120.0553,3.903904);(121.033,6.606607);(127.0577,2.102102);(139.0571,2.602603);(141.0353,4.004004);(141.0724,1.801802);(143.0527,100.0);(144.0555,8.308308);(145.0319,46.546547);(146.0348,2.602603);(148.0184,2.202202);(151.007,11.211211);(151.0597,2.002002);(153.0721,4.204204);(155.0532,5.505506);(156.0543,1.801802);(157.0691,4.704705);(165.0745,10.11011);(167.0556,8.408408);(169.0336,2.302302);(169.0736,2.002002);(180.0617,3.003003);(181.0677,6.706707);(183.0497,2.902903);(185.0617,3.403403);(197.0643,2.602603);(208.0568,1.901902);(209.0609,7.007007);(253.0546,20.32032);(254.057,4.704705);(255.0592,1.901902)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(255.0653,100.0);(256.0685,14.129208);(257.0708,1.488761)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(255.0656,100.0);(256.0688,14.204009);(257.071,1.492595)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(134.0964,3.803488);(147.044,1.079918);(153.0182,8.720679);(255.0652,100.0);(256.0685,12.009235);(257.0707,1.361472)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(103.0544,11.991208);(105.0337,5.438893);(111.0079,1.634154);(125.0235,1.368555);(129.0337,10.82545);(134.0966,2.614123);(139.0544,1.776766);(147.0443,9.901741);(152.0622,5.555337);(153.0185,88.508589);(154.0217,5.548796);(171.0292,2.445343);(181.0647,4.266593);(186.0675,1.202392);(187.0749,1.833026);(209.0596,5.399642);(213.0544,2.83262);(237.0543,1.894519);(255.0652,100.0);(256.0684,13.841242);(257.0707,1.57266)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(91.0539,1.715266);(95.0489,1.910451);(97.0284,1.951854);(103.054,27.32596);(104.0571,2.141125);(105.0338,13.568344);(106.0647,1.508251);(111.0077,2.886378);(115.054,9.729698);(116.0589,1.360383);(117.0695,3.359555);(118.0648,6.021175);(119.0727,44.159224);(120.0762,3.933282);(125.0229,2.637961);(127.0539,1.999172);(128.0614,2.03466);(129.0333,34.14562);(130.0368,2.809487);(134.0961,39.823742);(135.0996,3.797244);(139.054,13.053765);(140.0576,1.703436);(141.0696,2.667534);(147.0437,7.038505);(151.0538,2.910037);(152.0618,33.045484);(153.018,100.0);(154.0213,6.665878);(155.0598,2.773999);(163.0539,1.366298);(165.0695,3.093393);(167.0489,1.378127);(169.0645,2.23576);(171.0287,2.620216);(177.0695,2.401372);(178.077,3.389129);(179.0603,1.845389);(180.0804,11.078252);(181.0645,6.689537);(182.0957,2.099722);(191.0849,3.016502);(193.0881,12.491867);(194.0954,9.398474);(195.094,2.070148);(206.0963,1.685692);(207.1034,1.750754);(208.1116,12.5451);(209.0594,2.637961);(213.0542,1.508251);(237.0542,1.638375);(255.0649,16.454723);(256.0681,2.525581)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(153.0149,1.057935);(176.9877,29.168766);(177.0224,1.108312);(255.0636,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(103.0529,2.304965);(105.0302,1.477541);(129.0323,1.713948);(147.0424,1.891253);(153.0186,7.033097);(176.9878,4.137116);(255.0628,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(103.0538,81.105991);(105.0325,35.483871);(125.0218,18.894009);(129.0314,29.493088);(139.0527,12.903226);(152.0596,48.387097);(153.0181,100.0);(153.0671,13.364055);(181.0627,11.520737);(255.0659,30.414747)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(102.989969,2.553028);(104.964244,3.941563);(108.959109,0.867626);(110.95371,0.797686);(124.966871,0.937384);(128.986987,13.681873);(130.094061,3.637829);(131.047344,0.862577);(141.048112,0.933211);(145.033448,0.529404);(147.015194,8.511997);(148.996089,0.861482);(152.990165,100.0);(153.994857,3.021852);(157.034006,1.145724);(162.931414,0.768965);(169.048576,1.963486);(171.0418,5.477453);(176.883884,20.770551);(181.083027,1.155095);(185.042979,0.64162);(186.05241,0.768392);(187.052237,18.854045);(188.059742,1.280063);(192.905645,5.205609);(195.025856,1.007648);(199.080157,4.226181);(209.063229,28.245619);(210.080254,2.239646);(211.080814,1.04425);(213.056164,41.958165);(214.062668,2.335173);(216.037947,1.175472);(218.967539,0.702023);(219.961089,0.938897);(223.043887,1.098738);(226.037566,1.718063);(227.073825,5.219518);(231.028157,1.802007);(237.02364,2.75493);(238.068711,0.748108);(239.084573,3.147707);(240.089123,0.535611);(254.123996,1.122838);(255.074701,40.540308);(256.08049,2.660199)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(178.987747,13.239207);(180.878789,0.508752);(196.968321,74.195666);(197.977848,17.567124);(198.966585,100.0);(213.964094,3.152671);(214.864026,1.016479);(215.919923,1.056495);(216.890377,7.575992);(228.968806,0.85687);(230.057649,1.569069);(237.082077,1.293316);(237.500005,1.039123);(238.157884,24.595625);(238.666672,0.873071);(258.093338,0.761581);(259.060493,1.395314)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(213.011554,7.760913);(214.017195,2.401044);(214.948538,100.0);(232.768731,2.748018)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(119.026741,1.895923);(122.036691,0.916981);(212.237594,2.340768);(213.181087,0.416766);(214.257848,0.432872);(239.060846,0.516824);(240.275035,4.844789);(241.181811,0.783865);(252.953787,1.610709);(254.081967,5.385961);(254.988838,78.266894);(255.938525,0.533873);(257.069062,0.416907);(269.051115,5.750174);(270.07543,2.906627);(271.06602,2.148247);(272.166672,0.774548);(273.071131,12.42054);(275.125527,0.512496);(283.068386,6.548325);(284.295175,1.988587);(285.073878,0.969405);(286.0506,0.426269);(287.133219,1.138359);(289.098384,0.569248);(293.166673,0.587648);(293.666673,1.114618);(294.000006,1.329713);(300.12573,1.027941);(301.085526,57.487838);(302.069599,0.675156);(303.049196,1.570906);(304.108508,0.440844);(305.100066,0.833366);(305.914133,0.569069);(314.166674,1.329625);(315.09666,17.899491)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(103.001304,1.49694);(105.00733,2.455608);(110.981124,0.551107);(125.023692,0.6554);(129.041122,8.424267);(131.077851,0.529543);(141.075686,0.645157);(147.061276,5.286454);(149.021566,0.60627);(153.017332,62.944453);(154.025047,2.091804);(157.094965,0.792679);(169.092097,1.29066);(171.060154,3.457624);(181.087577,0.66256);(187.11171,12.422147);(188.121776,0.819228);(195.089412,0.598439);(199.107417,2.337428);(209.095907,18.760046);(210.105592,1.411211);(213.087995,26.55381);(214.098283,1.720045);(227.114487,2.495743);(231.086626,1.252742);(237.118593,1.601693);(255.122299,100.0);(256.117459,71.770873)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(103.042341,0.541948);(105.039468,0.897365);(129.082107,3.27046);(147.09671,2.060723);(153.054573,23.463817);(171.092388,1.384541);(187.145788,4.865622);(199.137852,0.884692);(209.134316,7.02592);(213.127527,9.865729);(227.148112,0.929544);(237.15606,0.613498);(255.204797,100.0);(256.122738,87.105837)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(255.224947,100.0);(255.916673,37.087383)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(153.450146,1.914914);(209.607063,0.634212);(213.598454,0.892937);(255.232092,100.0);(256.000006,55.370803)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(102.905035,1.410022);(104.871386,2.575748);(110.833808,0.525567);(128.908575,8.51796);(129.937248,0.78851);(140.985879,0.539882);(146.937424,5.196985);(148.915767,0.73204);(152.907153,52.998022);(153.895769,3.858941);(156.950267,0.620637);(168.958784,1.143346);(170.947798,2.75216);(180.981241,0.745478);(185.926955,0.510161);(186.993517,10.886135);(187.995839,1.465787);(194.957446,0.516534);(198.955094,1.551309);(208.995611,15.118029);(209.993086,2.665335);(212.982064,23.552469);(213.995142,2.724308);(227.007701,2.074615);(230.980705,1.473339);(237.027958,1.033298);(255.042217,100.0);(256.047867,17.46253)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(102.895597,1.351882);(104.868178,2.138537);(110.851292,0.618789);(124.87658,0.61321);(128.893527,7.363211);(129.833335,0.543929);(140.916715,0.528191);(146.938955,4.424941);(148.948905,0.505621);(152.899313,55.759032);(153.914927,3.462185);(156.983859,0.955163);(168.993647,1.35129);(170.979014,3.091655);(180.973127,0.836713);(185.905545,0.565279);(186.984273,11.303209);(187.998805,1.39932);(194.962589,0.605408);(198.990037,2.198524);(200.04366,0.540223);(208.981041,16.687514);(209.989853,2.555579);(213.005874,22.311948);(213.988986,3.010601);(227.018305,1.520331);(230.977243,1.442802);(237.025152,1.010499);(255.032056,100.0);(256.038991,18.053544)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(80.838074,0.163514);(94.916668,0.131521);(96.904283,0.172037);(102.835105,0.187551);(104.962277,0.178944);(107.000001,0.216333);(108.916668,0.194761);(112.909757,0.148883);(113.910545,0.198618);(115.931376,0.134948);(118.947731,0.232611);(120.975336,0.280797);(122.970631,0.217138);(123.816405,0.125203);(124.894245,0.244004);(126.877257,0.198033);(128.815961,0.375963);(130.968921,0.282138);(131.918281,0.202816);(132.666669,0.237443);(132.916669,0.289556);(134.934238,0.273846);(136.917086,0.210529);(138.833336,0.222011);(139.083336,0.180961);(140.981384,0.226595);(141.916669,0.189206);(142.750002,0.150405);(142.890139,0.236559);(143.90444,0.367955);(144.926302,1.338779);(145.951703,0.398875);(146.903228,0.324363);(147.916669,0.138575);(148.105926,0.2865);(148.93153,0.438411);(150.750003,0.140467);(151.046092,0.372544);(152.833336,0.207565);(153.083336,0.201465);(154.928277,0.212601);(157.067941,0.496702);(158.000003,0.260903);(159.000003,0.299803);(159.989967,0.420794);(160.833336,0.381388);(161.16667,0.284859);(161.833336,0.212573);(161.939104,0.212573);(162.947835,0.526796);(164.026627,0.141562);(164.930485,0.483011);(166.000003,0.30068);(166.940113,0.933515);(167.988034,0.293395);(168.94878,0.398726);(169.953649,0.344831);(170.986596,0.730731);(171.901753,0.404998);(172.942525,0.386008);(173.91667,0.3293);(174.16667,0.317675);(174.920677,0.591029);(175.972752,0.26747);(176.750003,0.302311);(177.083337,0.601502);(178.01934,0.150909);(178.750003,0.138782);(179.083337,0.254145);(180.833337,0.292668);(181.083337,0.225127);(182.91667,0.170549);(183.005719,0.235728);(184.000004,0.126543);(184.968231,0.570703);(185.865591,0.289326);(186.833337,0.730976);(187.083337,0.507829);(187.997785,0.44944);(188.95744,6.018652);(189.916809,0.543326);(190.973996,1.038813);(192.000004,0.254269);(192.005625,0.285925);(193.024828,0.779902);(193.788522,0.208185);(195.025656,0.404999);(196.997772,0.52402);(197.914574,0.180826);(198.927014,1.302607);(199.916671,0.20381);(199.989141,0.20381);(200.972969,0.697028);(201.416671,0.129571);(201.994073,0.539451);(203.01558,1.15362);(203.992348,0.309173);(205.057501,1.154924);(205.416671,0.17897);(205.992889,0.457431);(207.032722,0.731619);(207.916671,0.12365);(208.166671,0.127253);(208.97372,6.516485);(209.968841,1.794336);(210.998269,0.409793);(212.833338,0.254023);(213.083338,0.524219);(213.916671,0.152628);(214.083338,0.226411);(215.013046,1.807469);(216.027474,0.485631);(216.991686,1.207202);(217.833338,0.198132);(217.965892,0.280006);(218.916671,0.868161);(219.166671,0.667589);(219.833338,0.521085);(220.083338,0.618256);(220.985414,2.639113);(221.916671,0.125909);(222.916671,0.363074);(223.166671,0.31532);(224.000005,0.174491);(224.666671,0.150538);(225.000005,0.17905);(225.923062,0.14521);(227.03062,2.107182);(228.065657,0.515128);(229.034142,0.591381);(230.013714,0.322441);(231.016491,1.768228);(231.833338,0.647279);(232.083338,0.980652);(233.022817,22.290898);(233.833338,0.301841);(234.083338,0.478266);(235.019818,1.93815);(235.666672,0.123226);(236.083338,0.383116);(236.916672,0.121876);(238.015391,0.123047);(238.833339,0.159784);(239.000005,0.269686);(240.416672,0.156042);(241.075816,0.780464);(241.916672,0.174684);(242.166672,0.229565);(243.250005,0.144297);(244.071331,0.463187);(245.051591,7.602467);(246.000005,0.20879);(246.500005,0.226445);(247.05617,2.282479);(248.121453,0.945585);(249.025505,2.929481);(250.098147,0.406008);(250.500006,0.24198);(250.999557,0.521871);(251.833339,0.268479);(252.500006,0.138933);(252.921212,0.517501);(253.166672,0.248667);(254.000006,0.172642);(254.416672,0.140791);(254.911088,0.485035);(255.750006,0.164315);(255.872287,0.17733);(255.916672,0.17733);(256.250006,0.214222);(257.027753,0.265314);(257.676305,0.126361);(258.154204,0.527588);(259.046736,10.955644);(260.003037,1.086864);(261.068737,1.253362);(261.998835,0.667179);(262.416673,0.34761);(262.666673,0.427847);(262.833339,0.521239);(263.083339,0.355499);(263.583339,0.192212);(266.916673,0.310465);(267.583339,0.169319);(267.958035,0.677318);(268.500006,0.387653);(268.750006,0.370811);(269.166673,0.141725);(270.500006,0.131614);(271.166673,0.156469);(271.70262,0.146742);(272.000006,0.132211);(273.20968,0.45833);(275.211402,0.370409);(276.08334,0.123808);(277.012354,24.35814);(278.028052,6.022212);(285.459972,0.138402)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(94.876365,0.138987);(98.778411,0.144977);(100.750001,0.185332);(101.750001,0.136424);(101.844896,0.137961);(102.803356,0.150579);(104.818845,0.147639);(105.083335,0.123519);(108.750001,0.130039);(109.034423,0.22072);(111.934407,0.132114);(112.833335,0.203406);(113.819274,0.134934);(118.850605,0.157065);(120.95606,0.343536);(122.890272,0.201762);(124.949986,0.166635);(125.849552,0.177122);(126.919796,0.141227);(128.750002,0.192918);(128.842962,0.26475);(130.886189,0.26026);(132.036525,0.186832);(132.866663,0.179904);(135.000002,0.190912);(136.750002,0.132432);(137.000002,0.20498);(138.945968,0.311733);(140.750002,0.152917);(141.000002,0.151341);(142.886832,0.236032);(143.955455,0.176266);(144.900525,1.364039);(145.916669,0.257648);(146.941092,0.421401);(147.954842,0.141657);(148.750002,0.258483);(149.000003,0.313657);(150.998295,0.358061);(152.917855,0.236333);(155.025656,0.211683);(156.919394,0.386284);(158.972783,0.307661);(160.003873,0.227259);(160.968431,0.599119);(162.083336,0.126597);(162.985228,0.363653);(163.66667,0.171457);(164.083336,0.148085);(164.977338,0.63115);(165.688178,0.142371);(166.921773,0.986557);(167.953764,0.317502);(169.083336,0.484974);(169.929227,0.254747);(170.833336,0.49261);(171.16667,0.263551);(171.91667,0.21408);(172.750003,0.190774);(172.924409,0.212376);(174.075466,0.344999);(174.952474,0.63997);(175.878548,0.313571);(176.960636,0.512995);(177.91667,0.131351);(178.750003,0.267934);(179.000003,0.425385);(181.03016,0.240465);(182.967844,0.225429);(184.500004,0.137456);(184.99683,0.633731);(186.015795,0.265836);(186.981651,0.73982);(187.970403,0.328662);(188.979382,6.053064);(189.942538,0.408106);(191.025345,0.93743);(192.000619,0.310238);(193.02364,0.97758);(194.916671,0.135168);(195.005825,0.170178);(196.833337,0.400143);(196.935927,0.400143);(198.082862,0.142217);(198.946961,1.310131);(200.000004,0.179211);(201.01219,0.751834);(201.960312,0.497467);(202.982853,0.890912);(204.027704,0.390799);(204.500004,0.175096);(205.026135,1.024508);(205.833338,0.219306);(206.083338,0.253089);(206.93115,0.80237);(208.008433,0.243207);(208.981446,7.017085);(209.970856,2.121119);(210.666671,0.21799);(211.083338,0.179365);(212.997315,0.319719);(214.07172,0.132885);(214.955195,1.469804);(216.100258,0.251627);(216.944807,0.993939);(218.083338,0.123227);(218.250005,0.213681);(219.008838,0.894114);(220.035853,0.76111);(221.035207,2.682476);(221.916671,0.174778);(222.948264,0.361064);(223.166671,0.145439);(223.820646,0.238626);(224.166671,0.165591);(225.099235,0.237335);(227.009113,2.166805);(227.961731,0.498103);(229.00623,0.432351);(229.833338,0.150829);(230.083338,0.154433);(231.039549,1.284003);(232.062824,0.748414);(233.018861,24.530796);(233.833338,0.292306);(234.083338,0.404386);(235.040678,2.497848);(235.993752,0.536157);(237.14863,0.197057);(237.881673,0.333063);(238.833339,0.192649);(241.068732,0.577374);(242.023787,0.254872);(242.958428,0.184728);(244.03596,0.253906);(244.333339,0.132738);(245.040557,6.861422);(246.185746,0.267866);(247.029193,1.846243);(248.042989,0.91897);(249.02278,2.671576);(250.000006,0.288419);(250.250006,0.259029);(250.973654,0.611163);(252.833339,0.414522);(253.083339,0.336205);(254.000006,0.126868);(254.500006,0.185073);(254.833339,0.161179);(255.166672,0.197285);(255.583339,0.167782);(255.583339,0.167782);(256.083339,0.180637);(257.044815,0.145353);(257.989322,0.419155);(259.012623,10.032391);(260.047674,0.998225);(260.583339,0.147607);(261.071642,0.900801);(261.500006,0.206709);(262.036361,0.652957);(262.666673,0.238274);(263.083339,0.541354);(266.841432,0.208396);(267.583339,0.147879);(267.916673,0.441795);(268.333339,0.141708);(268.583339,0.166801);(268.833339,0.302836);(270.916673,0.143501);(273.082876,0.550406);(275.000006,0.147772);(276.08334,0.129486);(277.007853,21.885389);(278.029772,6.348726)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(146.858444,1.207546);(182.940057,2.662088);(184.893507,0.983506);(206.950605,4.428763);(207.955489,0.903427);(220.965025,1.407105);(222.920237,0.572947);(224.973058,4.588982);(225.92296,0.744498);(226.974119,0.55876);(230.984417,2.202975);(236.98167,2.011913);(248.985437,9.079499);(249.979617,2.054681);(250.983812,6.568363);(251.958393,1.466174);(261.054145,0.501116);(265.003264,10.160138);(265.990081,2.125632);(266.896575,0.591627);(268.913959,0.586869);(275.002843,1.915555);(282.753797,0.699736);(293.00084,100.0);(294.010484,13.809839)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(146.846235,1.584755);(182.915455,3.023426);(184.912223,1.340931);(192.921745,0.526625);(206.95007,4.576859);(207.93898,0.836102);(220.972837,1.582275);(222.92017,0.669196);(224.960021,5.016608);(225.968498,0.978389);(227.004589,0.810676);(230.959027,2.380005);(236.990177,1.839457);(248.971136,8.78892);(250.004182,2.63659);(250.964866,7.855427);(251.966359,1.574156);(264.985855,9.909238);(265.995838,2.09733);(266.891416,0.635941);(269.000006,0.568182);(274.974238,1.491859);(282.799252,0.860768);(292.993253,100.0);(294.009219,14.676852)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(293.065178,100.0);(294.006146,1.54717);(310.735027,6.808062)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(293.062313,100.0);(294.016182,1.365401);(310.728246,6.627439)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(102.795381,0.504252);(146.855351,1.24297);(182.928135,2.798027);(184.870716,1.002227);(206.949988,4.312868);(207.94446,0.792847);(220.966963,1.542993);(222.917708,0.591898);(224.969968,4.55193);(225.948959,0.766089);(226.939174,0.665654);(230.947727,2.131051);(231.962455,0.548642);(236.975279,2.040494);(248.980995,8.86211);(249.997741,2.041816);(250.966799,6.704185);(251.952742,1.553587);(264.994176,10.52562);(265.988664,2.141587);(266.936465,0.633319);(274.991538,1.93753);(282.828515,0.846871);(293.008614,100.0);(294.00343,13.837975)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(146.852806,1.197612);(182.923285,2.616571);(184.893981,1.148025);(206.965171,4.308786);(207.932461,0.735642);(220.965531,1.279347);(222.975453,0.540716);(224.958393,4.449081);(225.924709,0.887158);(226.925259,0.710439);(230.963284,2.318232);(236.989825,2.122505);(248.979253,9.619276);(249.997911,2.065002);(250.985326,7.17956);(251.956006,1.46948);(264.996598,10.263182);(265.994611,2.242244);(266.898664,0.516108);(268.880767,0.589756);(274.98951,1.608752);(282.798033,0.911634);(292.996484,100.0);(294.013471,13.965417)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(208.987413,0.584728);(277.042712,100.0);(278.0339,21.237283);(292.998206,1.434404);(294.987086,15.855711);(296.010422,4.245065);(312.840872,0.77533);(429.104374,0.921917);(487.161791,2.559222);(488.159335,1.120582);(489.137337,1.063976);(513.146801,0.730899);(531.152205,76.360608);(532.131056,5.858928)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(208.981505,0.509234);(277.029622,76.224586);(278.011537,24.244371);(292.98864,1.778595);(295.042599,15.308381);(296.047494,5.595685);(312.788151,0.720546);(429.128996,1.813083);(487.211759,2.403601);(488.164034,1.263169);(489.155327,0.789092);(513.128574,0.624141);(531.196773,100.0);(532.145333,10.177955)
LC-MS/MS	Not Available	positive	Not Available	View 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095.819702,0.278616);(1132.911011,0.394706);(1133.400024,0.371488);(1140.043091,0.294095);(1142.154175,0.294095);(1142.786499,0.108351);(1149.119629,0.100611);(1150.185791,0.278616);(1151.407837,0.193483);(1151.96167,0.363749);(1152.731812,0.255398);(1162.224976,0.255398);(1165.640381,0.154787);(1169.993164,0.325052);(1171.654907,0.301834);(1173.181396,0.286356);(1174.401855,0.410185);(1175.793701,0.325052);(1176.995117,0.294095);(1178.142456,0.23992);(1183.476929,0.185744);(1185.312622,0.309574);(1191.432495,0.201223);(1193.239868,0.317313);(1194.677246,0.309574);(1196.487061,0.317313);(1196.927734,0.317313);(1220.077637,0.309574);(1228.573608,0.270877);(1236.217285,0.35601);(1244.57959,0.379228);(1245.169434,0.371488);(1251.575562,0.077393);(1251.730469,0.340531);(1255.838989,0.301834);(1256.466675,0.216701);(1257.327515,0.386967);(1257.496948,0.456621);(1258.089844,0.23218);(1264.054932,0.340531);(1267.262451,0.085133);(1268.821533,0.309574);(1279.285645,0.332792);(1279.449341,0.154787);(1282.718994,0.448882);(1288.206421,0.23992);(1288.277832,0.301834);(1288.463501,0.332792);(1289.435303,0.317313);(1302.640259,0.147047);(1305.349731,0.069654);(1306.644409,0.448882);(1310.373657,0.255398);(1315.400024,0.278616);(1319.712769,0.363749);(1320.39978,0.402446);(1325.532227,0.301834);(1326.793335,0.317313);(1338.046509,0.193483);(1339.488403,0.479839);(1348.996338,0.34827);(1351.175537,0.193483);(1351.431641,0.162526);(1351.826782,0.208962);(1359.616455,0.286356);(1364.067261,0.294095);(1364.162842,0.255398);(1364.728882,0.549493);(1368.370728,0.100611);(1369.269165,0.441142);(1370.26355,0.247659);(1372.216553,0.363749);(1373.875854,0.286356);(1375.447632,0.425664);(1376.961182,0.255398);(1388.461792,0.069654);(1389.173828,0.162526);(1390.205078,0.332792);(1391.036255,0.402446);(1394.505005,0.224441);(1396.415649,0.410185);(1398.997559,0.123829);(1401.283813,0.317313);(1405.362061,0.35601);(1411.883057,0.247659);(1413.977783,0.224441);(1416.613281,0.270877);(1417.227661,0.34827);(1419.093872,0.332792);(1419.288818,0.270877);(1420.053711,0.309574);(1433.623291,0.317313);(1437.944458,0.278616);(1438.616333,0.433403);(1441.372925,0.410185);(1442.899658,0.46436);(1446.061401,0.301834);(1447.439209,0.224441);(1449.598022,0.34827);(1450.916748,0.379228);(1453.298218,0.340531);(1455.757446,0.139308);(1457.344971,0.402446);(1462.120239,0.208962);(1463.924438,0.11609);(1464.411865,0.255398);(1468.679932,0.286356);(1473.657104,0.425664);(1475.330811,0.4721);(1482.51001,0.263138);(1490.075439,0.286356);(1494.165405,0.255398);(1495.735229,0.417924);(1499.910034,0.255398);(1503.097534,0.317313);(1503.727783,0.23992);(1504.028809,0.363749)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(70.000763,0.122105);(70.76487,0.021669);(75.023293,0.069398);(75.327606,0.118884);(77.037766,0.807592);(77.405205,0.016983);(78.170357,0.008199);(80.890167,0.042751);(80.919563,0.045387);(81.035286,0.113613);(82.037689,0.016691);(82.111626,0.013177);(82.78141,0.083453);(82.80378,0.086967);(83.011871,0.331763);(84.10743,0.030746);(84.591293,0.061492);(85.029854,0.135868);(86.566322,0.050072);(87.435127,0.069105);(89.306923,0.071155);(90.635605,0.079939);(90.793533,0.044216);(90.982841,0.009077);(91.019051,0.574216);(91.041328,0.054757);(91.054115,0.033967);(91.100571,0.0571);(92.021622,0.063542);(92.997917,0.049486);(93.203766,0.052414);(93.998268,0.060321);(95.050781,0.692808);(96.050407,0.052707);(96.741806,0.069984);(97.028862,0.778018);(97.054718,0.018155);(97.416046,0.078182);(100.576645,0.111564);(101.038811,0.067641);(102.045166,0.294868);(102.682785,0.060321);(103.019119,0.216978);(103.054611,9.725366);(103.297112,0.097801);(104.058418,0.915935);(104.914787,0.032796);(105.042542,5.332802);(105.158875,0.03221);(105.691429,0.069984);(105.897202,0.026354);(105.915016,0.005856);(106.036156,0.200873);(106.050751,0.272906);(106.685036,0.014934);(106.803482,0.016398);(107.013725,0.233376);(108.02227,0.067348);(108.684692,0.014934);(109.030052,0.113028);(110.980698,0.044216);(111.009415,0.833946);(112.008331,0.010541);(112.985123,0.116834);(113.32608,0.057392);(115.054733,1.232471);(116.063828,0.11537);(116.509544,0.068812);(122.76622,0.049779);(123.854683,0.097508);(124.013489,0.079354);(125.023666,0.843609);(125.497581,0.014348);(127.042023,0.074961);(127.058083,0.205265);(128.060501,0.300724);(128.576965,0.026646);(128.76207,0.020497);(128.969177,0.062663);(129.034378,8.105789);(129.069778,0.225177);(129.111237,0.032796);(129.14798,0.014934);(129.19162,0.022254);(129.264328,0.006149);(129.715271,0.052122);(130.013077,0.056807);(130.037994,0.809349);(130.938309,0.020204);(130.999329,0.097801);(131.036545,0.0571);(131.078186,0.042166);(131.134171,0.055928);(131.211487,0.029282);(131.987442,0.009663);(132.045898,0.047144);(135.009506,0.21405);(135.92337,0.01347);(137.035843,0.132354);(137.899109,0.049486);(139.029282,0.069105);(139.054916,1.948704);(139.711136,0.016105);(140.056137,0.10395);(141.069962,0.712426);(142.07486,0.134111);(145.064377,0.041873);(146.235352,0.03016);(147.045242,2.812225);(148.049911,0.409067);(148.379089,0.033088);(149.023911,0.048022);(149.12059,0.03953);(149.774597,0.009077);(150.044128,0.042751);(150.103119,0.089602);(151.053513,0.129426);(151.642059,0.051829);(152.062866,6.158842);(152.140335,0.055928);(152.614441,0.02489);(152.658676,0.078475);(152.850555,0.028989);(152.896896,0.061492);(152.932236,0.009077);(153.01973,29.056042);(153.070221,2.199649);(153.122375,0.033381);(153.260422,0.021669);(153.641479,0.04363);(153.686035,0.011127);(153.984085,0.075547);(154.023224,1.889555);(154.073868,0.168956);(154.341843,0.029575);(154.39801,0.014934);(154.710724,0.021961);(155.062042,0.505404);(155.12146,0.043044);(155.169159,0.099558);(155.281586,0.034553);(155.678879,0.02079);(155.738449,0.019033);(156.053345,0.053879);(156.129501,0.005856);(156.631592,0.046265);(157.067825,0.073205);(160.986923,0.049193);(161.328705,0.037481);(162.15831,0.037481);(162.179932,0.009956);(162.733398,0.031624);(163.05397,0.198238);(163.082306,0.035431);(163.639862,0.008199);(164.062729,0.114492);(165.074722,0.100437);(166.077011,0.05095);(167.051239,0.382713);(168.034225,0.050658);(168.050354,0.068812);(169.066589,0.334105);(170.027618,0.057685);(170.066528,0.051243);(170.692657,0.056514);(171.031555,1.501864);(171.079468,0.033967);(171.863617,0.044801);(172.028473,0.164857);(179.062592,0.635122);(180.064255,0.130597);(181.065842,1.909174);(182.036545,0.043923);(182.067886,0.134403);(185.058777,0.174227);(185.714722,0.005564);(185.837341,0.054171);(186.069672,0.371293);(187.077347,0.19326);(187.898254,0.036602);(189.056091,0.038359);(197.007385,0.067934);(197.033981,0.111271);(197.063339,0.036309);(198.072006,0.067934);(199.033676,0.054171);(199.075623,0.23689);(207.84082,0.083453);(208.054092,0.106293);(208.986053,0.044216);(209.06105,1.495129);(210.064758,0.21405);(210.969238,0.066763);(211.043488,0.322393);(213.055756,0.597642);(214.06218,0.050365);(217.965576,0.031039);(218.089401,0.082282);(226.0616,0.084039);(227.062286,0.138796);(228.049271,0.008785);(231.008682,0.012006);(231.06636,0.264122);(231.278397,0.058856);(232.070068,0.072033);(233.400452,0.070569);(237.058075,0.735852);(238.011658,0.038359);(238.063202,0.049779);(239.100189,0.048022);(239.147812,0.066177);(247.004196,0.056514);(249.513535,0.025475);(252.955154,0.025182);(253.042145,0.074961);(253.305115,0.007906);(253.600189,0.12474);(253.633377,0.062077);(253.936935,0.048901);(253.98204,0.021669);(254.057724,0.100729);(254.095245,0.088431);(254.17804,0.029282);(254.325241,0.029575);(254.358353,0.068227);(254.517792,0.029282);(254.553528,0.050072);(254.583344,0.032796);(254.638489,0.038652);(254.737747,0.129426);(254.776947,0.059735);(254.802139,0.131182);(254.888687,0.04568);(254.91037,0.056514);(254.933792,0.067641);(255.067841,100.0);(255.285767,0.030453);(255.311264,0.050072);(255.356384,0.015519);(255.393936,0.027525);(255.426498,0.058856);(255.46788,0.028696);(255.524872,0.06442);(255.660522,0.016983);(255.694321,0.045387);(255.73114,0.018448);(255.770584,0.018448);(255.798859,0.024304);(255.844055,0.009956);(255.869263,0.012298);(255.914932,0.086381);(256.071899,9.228747);(256.125244,0.021376);(256.282898,0.008199);(256.347382,0.010541);(256.540894,0.014055);(256.847992,0.03016);(257.199402,0.030746);(257.230072,0.012884);(257.267609,0.021376);(257.369659,0.063834);(257.597473,0.019326);(257.667084,0.031039);(257.833344,0.029282);(257.937347,0.067348);(257.97403,0.033088);(258.00528,0.04363);(258.02594,0.036602);(258.06366,0.082868);(258.092804,0.044216);(258.147278,0.008492);(258.667145,0.025182);(263.100769,0.005564);(266.584717,0.015227);(266.642609,0.03221);(267.024292,0.010834);(270.224518,0.025182);(270.74939,0.035431);(276.306732,0.01347);(314.899841,0.013762);(412.27832,0.017276);(436.677246,0.036017);(455.438446,0.028403);(548.86322,0.007906);(1453.485229,0.043337);(1564.231323,0.00937);(1598.381104,0.059442);(1608.76416,0.081696);(1627.418457,0.036602);(1850.880615,0.047437);(1869.585083,0.048022);(1890.167358,0.062663);(1920.756226,0.059735);(1921.440918,0.026354);(1935.293335,0.071155)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.01533,1.3);(119.04929,1.2);(143.04938,5.31);(144.05472,1.0);(145.02754,1.8);(180.05919,1.0);(181.06531,1.9);(209.06007,5.01);(211.04196,1.2);(253.04973,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.00269,43.64);(88.99902,15.72);(101.04272,64.96);(115.05939,35.04);(117.03728,42.14);(119.05482,35.04);(125.04366,22.92);(143.04973,35.74);(145.02571,100.0);(253.04512,72.07)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,100.0);(63.9955,1.03);(65.0033,70.78);(79.0189,2.88);(83.0139,2.9);(89.0033,6.53);(101.0397,17.7);(107.0139,6.84);(115.0553,6.93);(117.0347,1.78);(119.0502,16.28);(139.0553,1.67);(143.0502,14.38);(145.0295,12.32);(155.0503,1.06);(167.0502,1.69)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.0023,19.19);(63.0228,100.0);(65.0021,53.03);(77.0382,8.79);(79.0169,2.29);(83.012,3.44);(89.0013,5.33);(91.9878,1.28);(101.0379,14.35);(107.0113,9.91);(115.0528,6.52);(117.0319,1.64);(119.048,20.46);(139.0522,2.2);(143.0478,23.49);(145.0271,15.71);(151.0011,1.34);(155.0485,2.02);(165.0677,1.68);(167.0476,3.0);(253.0481,2.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0539,1.72);(95.0489,1.91);(97.0284,1.95);(103.054,27.33);(104.0571,2.14);(105.0338,13.57);(106.0647,1.51);(111.0077,2.89);(115.054,9.73);(116.0589,1.36);(117.0695,3.36);(118.0648,6.02);(119.0727,44.16);(120.0762,3.93);(125.0229,2.64);(127.0539,2.0);(128.0614,2.03);(129.0333,34.15);(130.0368,2.81);(134.0961,39.82);(135.0996,3.8);(139.054,13.05);(140.0576,1.7);(141.0696,2.67);(147.0437,7.04);(151.0538,2.91);(152.0618,33.05);(153.018,100.0);(154.0213,6.67);(155.0598,2.77);(163.0539,1.37);(165.0695,3.09);(167.0489,1.38);(169.0645,2.24);(171.0287,2.62);(177.0695,2.4);(178.077,3.39);(179.0603,1.85);(180.0804,11.08);(181.0645,6.69);(182.0957,2.1);(191.0849,3.02);(193.0881,12.49);(194.0954,9.4);(195.094,2.07);(206.0963,1.69);(207.1034,1.75);(208.1116,12.55);(209.0594,2.64);(213.0542,1.51);(237.0542,1.64);(255.0649,16.45);(256.0681,2.53)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05415,2.1);(147.04434,1.6);(153.01871,7.6);(255.065,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(253.0506,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(101.0413,40.04);(107.0154,34.03);(108.0198,2.5);(115.0573,17.92);(117.0357,8.21);(119.0523,64.76);(120.0553,3.9);(121.033,6.61);(127.0577,2.1);(139.0571,2.6);(141.0353,4.0);(143.0527,100.0);(144.0555,8.31);(145.0319,46.55);(146.0348,2.6);(148.0184,2.2);(151.007,11.21);(153.0721,4.2);(155.0532,5.51);(156.0543,1.8);(157.0691,4.7);(165.0745,10.11);(167.0556,8.41);(169.0336,2.3);(180.0617,3.0);(181.0677,6.71);(183.0497,2.9);(185.0617,3.4);(197.0643,2.6);(208.0568,1.9);(209.0609,7.01);(253.0546,20.32);(254.057,4.7);(255.0592,1.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02278,12.11);(64.02659,3.8);(65.00415,4.4);(77.0394,1.6);(83.01214,1.3);(88.99935,3.9);(92.02795,1.1);(101.04012,13.01);(102.04422,1.4);(107.01414,22.52);(115.05593,10.51);(116.05627,1.5);(117.03526,3.3);(119.04922,41.84);(120.05006,3.8);(121.0308,3.5);(123.03558,1.7);(129.07385,1.0);(130.04414,1.2);(131.01404,1.0);(138.04584,2.4);(139.05385,4.8);(141.06953,2.3);(142.07524,1.7);(143.04941,100.0);(144.05347,11.41);(145.02838,42.24);(146.03484,4.9);(148.01523,2.3);(150.99951,5.51);(152.07104,1.2);(153.06841,3.9);(154.07117,1.8);(155.04782,9.21);(156.0571,1.1);(157.06708,1.5);(165.06967,13.91);(166.04042,1.3);(167.0475,13.71);(168.04924,2.4);(169.06561,3.2);(180.06003,2.3);(181.06636,6.51);(183.05261,1.9);(185.0578,1.6);(187.03606,1.3);(208.05222,1.6);(209.06239,7.61);(211.04247,3.9);(212.04858,1.9);(253.05118,22.62)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.023,6.65);(65.0021,2.68);(107.0114,3.81);(119.0478,1.25);(143.0478,5.38);(145.0273,2.37);(151.0013,1.32);(165.0684,1.21);(180.0545,1.09);(181.063,1.8);(185.0582,1.67);(209.0581,5.96);(211.0367,1.49);(253.0483,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,100.0);(65.0033,51.7);(79.019,2.88);(83.0139,3.75);(89.0033,6.55);(101.0397,14.48);(107.0139,14.37);(115.0553,6.31);(117.0346,1.6);(119.0502,22.44);(139.0554,3.28);(143.0502,34.48);(145.0295,18.74);(151.0036,2.5);(155.0503,2.39);(165.0709,3.38);(167.0502,4.19);(180.0583,1.48);(181.0659,2.54);(185.0608,1.16);(209.0607,1.83);(253.0506,4.37)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(255.06581,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05374,1.8);(129.03441,1.2);(147.04262,1.2);(153.01714,9.0);(255.06451,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,100.0);(65.0033,43.08);(79.019,2.69);(83.0139,3.42);(89.0033,7.55);(101.0397,9.91);(107.0139,32.07);(115.0553,5.43);(117.0347,1.41);(119.0502,21.23);(121.0295,2.03);(139.0553,4.64);(143.0502,60.73);(145.0295,24.19);(148.0166,1.84);(151.0037,8.29);(152.0632,1.66);(153.0709,2.57);(155.0503,3.7);(157.0658,1.87);(165.0709,9.94);(167.0502,9.33);(180.0581,6.41);(181.0659,10.75);(183.045,2.96);(185.0608,6.92);(187.0399,1.34);(197.0608,2.12);(208.0531,2.93);(209.0608,16.32);(211.04,5.16);(225.0558,1.91);(253.0507,66.11)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(253.0485,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05374,1.8);(129.03441,1.2);(147.04262,1.2);(153.01714,9.01);(209.06032,1.0);(255.06451,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01916,8.31);(68.99812,5.61);(77.03851,2.0);(103.05447,22.72);(104.05572,2.8);(105.034,8.61);(106.03764,1.3);(109.02956,1.1);(111.0102,3.9);(125.02274,2.7);(129.03394,11.51);(130.0396,1.2);(139.05626,2.8);(147.04477,9.71);(148.04677,1.3);(152.06096,6.01);(153.01775,74.27);(154.02245,6.91);(155.02637,1.6);(171.04068,2.3);(181.06407,4.3);(186.06511,1.0);(187.07014,3.4);(199.07594,1.0);(209.05891,9.31);(210.06425,1.0);(213.05331,6.21);(214.06009,1.0);(237.05516,2.4);(255.06491,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(253.04993,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.0496,2.1);(143.0499,7.91);(145.0292,4.3);(151.0032,1.4);(165.0705,1.2);(167.0498,1.2);(180.0588,1.0);(181.0651,1.8);(185.0603,1.6);(209.0602,6.51);(211.0388,1.8);(225.0542,1.3);(253.0507,100.0);(254.0539,14.41);(255.0563,2.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(134.0964,3.8);(147.044,1.08);(153.0182,8.72);(255.0652,100.0);(256.0685,12.01);(257.0707,1.36)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.0544,11.99);(105.0337,5.44);(111.0079,1.63);(125.0235,1.37);(129.0337,10.83);(134.0966,2.61);(139.0544,1.78);(147.0443,9.9);(152.0622,5.56);(153.0185,88.51);(154.0217,5.55);(171.0292,2.45);(181.0647,4.27);(186.0675,1.2);(187.0749,1.83);(209.0596,5.4);(213.0544,2.83);(237.0543,1.89);(255.0652,100.0);(256.0684,13.84);(257.0707,1.57)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02278,12.1);(64.02659,3.8);(65.00415,4.4);(77.0394,1.6);(83.01214,1.3);(88.99935,3.9);(92.02795,1.1);(101.04012,13.0);(102.04422,1.4);(107.01414,22.5);(115.05593,10.5);(116.05627,1.5);(117.03526,3.3);(119.04922,41.8);(120.05006,3.8);(121.0308,3.5);(123.03558,1.7);(130.04414,1.2);(138.04584,2.4);(139.05385,4.8);(141.06953,2.3);(142.07524,1.7);(143.04941,100.0);(144.05347,11.4);(145.02838,42.2);(146.03484,4.9);(148.01523,2.3);(150.99951,5.5);(152.07104,1.2);(153.06841,3.9);(154.07117,1.8);(155.04782,9.2);(156.0571,1.1);(157.06708,1.5);(165.06967,13.9);(166.04042,1.3);(167.0475,13.7);(168.04924,2.4);(169.06561,3.2);(180.06003,2.3);(181.06636,6.5);(183.05261,1.9);(185.0578,1.6);(187.03606,1.3);(208.05222,1.6);(209.06239,7.6);(211.04247,3.9);(212.04858,1.9);(253.05118,22.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01839,8.31);(68.99777,7.11);(77.0377,1.1);(97.03022,1.7);(103.05361,20.42);(104.05695,1.7);(105.03342,9.61);(107.00932,1.1);(109.02879,1.3);(111.00775,2.7);(125.02608,1.5);(129.03365,13.81);(130.03735,1.9);(139.05527,1.3);(147.04482,10.71);(148.04564,1.6);(152.06245,4.3);(153.01796,82.88);(154.02087,7.31);(157.06248,1.1);(171.04321,3.2);(181.06476,4.0);(182.06995,1.1);(186.06758,1.0);(187.06903,2.2);(209.05992,10.21);(210.06583,1.8);(213.05234,4.2);(227.06715,1.0);(237.05499,1.8);(255.06529,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05415,2.1);(129.03305,1.0);(147.04434,1.6);(153.01871,7.61);(209.05684,1.0);(255.065,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0121,2.03);(119.05026,2.05);(143.05083,5.67);(145.02904,2.94);(151.00273,1.4);(165.07265,1.03);(180.05772,1.31);(181.06409,1.59);(209.06,3.72);(211.04008,1.55);(253.04999,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(255.0656,100.0);(256.0688,14.2);(257.071,1.49)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(255.0653,100.0);(256.0685,14.13);(257.0708,1.49)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.00269,43.6);(88.99902,15.7);(101.04272,65.0);(115.05939,35.0);(117.03728,42.1);(119.05482,35.0);(125.04366,22.9);(143.04973,35.7);(145.02571,100.0);(253.04512,72.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0539,1.7);(95.0489,1.9);(97.0284,1.9);(103.054,27.33);(104.0571,2.1);(105.0338,13.61);(106.0647,1.5);(111.0077,2.9);(115.054,9.71);(116.0589,1.4);(117.0695,3.4);(118.0648,6.01);(119.0727,44.14);(120.0762,3.9);(125.0229,2.6);(127.0539,2.0);(128.0614,2.0);(129.0333,34.13);(130.0368,2.8);(134.0961,39.84);(135.0996,3.8);(139.054,13.01);(140.0576,1.7);(141.0696,2.7);(147.0437,7.01);(151.0538,2.9);(152.0618,33.03);(153.018,100.0);(154.0213,6.71);(155.0598,2.8);(163.0539,1.4);(165.0695,3.1);(167.0489,1.4);(169.0645,2.2);(171.0287,2.6);(177.0695,2.4);(178.077,3.4);(179.0603,1.8);(180.0804,11.11);(181.0645,6.71);(182.0957,2.1);(191.0849,3.0);(193.0881,12.51);(194.0954,9.41);(195.094,2.1);(206.0963,1.7);(207.1034,1.7);(208.1116,12.51);(209.0594,2.6);(213.0542,1.5);(237.0542,1.6);(255.0649,16.42);(256.0681,2.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.0234,1.63);(41.0398,1.89);(43.0191,20.86);(51.0232,1.03);(55.0184,2.03);(67.0188,50.79);(68.9983,60.38);(77.0392,29.88);(79.0195,1.74);(81.0339,3.91);(83.0131,2.94);(91.0189,2.3);(97.0289,5.45);(102.0464,1.43);(103.0545,65.23);(105.0335,24.57);(109.0277,2.14);(111.0073,5.11);(115.0541,3.81);(125.0231,3.91);(127.0541,1.91);(128.0602,1.17);(129.0338,30.71);(139.0538,7.16);(141.0693,1.94);(147.0435,10.48);(151.0531,3.89);(152.0616,20.39);(153.0187,100.0);(171.0438,2.4);(181.0639,5.13);(187.0754,1.22);(209.059,5.04);(213.0528,2.92);(237.0527,1.73);(255.0647,35.49)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0121,2.0);(119.05026,2.1);(143.05083,5.7);(145.02904,2.9);(151.00273,1.4);(180.05772,1.3);(181.06409,1.6);(209.06,3.7);(211.04008,1.6);(253.04999,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0022,1.38);(53.0386,4.07);(55.0178,7.96);(63.0228,1.07);(65.0385,49.26);(68.997,8.21);(78.0464,3.9);(81.0335,25.79);(89.0385,4.78);(91.0542,100.0);(95.0491,2.85);(103.0542,2.72);(105.0335,6.35);(106.0412,1.84);(107.0491,1.15);(108.0555,7.15);(109.0284,1.44);(111.0441,1.48);(115.0542,6.59);(118.0412,2.39);(119.0491,6.74);(121.0284,4.77);(127.039,2.08);(128.062,32.0);(129.0698,7.1);(131.0491,8.12);(133.0283,1.03);(134.0361,3.44);(137.0233,37.35);(138.0311,1.77);(141.0698,5.5);(143.0854,2.49);(144.0569,1.34);(145.0647,3.95);(147.0441,2.46);(149.0234,1.22);(152.062,60.09);(153.0698,28.44);(155.0492,1.69);(156.0569,1.01);(157.0648,5.02);(165.0697,1.72);(168.0569,1.2);(169.0647,9.59);(170.0726,2.1);(171.0804,3.76);(181.0647,34.93);(182.0726,3.22);(184.0518,6.94);(197.0597,8.8);(198.0677,3.6);(199.0753,6.74);(209.0595,1.29);(210.0676,1.0);(227.0704,1.27);(237.0545,1.58)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,1.98);(55.0178,11.21);(65.0385,24.21);(68.997,9.82);(78.0464,1.62);(81.0335,16.41);(82.0413,1.13);(89.0385,3.62);(91.0542,100.0);(95.0491,2.01);(96.0206,1.07);(103.0543,1.62);(105.0335,6.72);(106.0412,1.34);(107.0492,1.09);(108.0556,15.8);(109.0284,1.48);(110.0713,1.04);(111.044,2.05);(115.0541,5.53);(118.0412,2.37);(119.0491,16.46);(121.0284,8.49);(127.0388,1.46);(128.062,28.93);(129.0698,15.33);(131.049,9.27);(133.0284,3.98);(134.0361,6.22);(137.0233,81.08);(138.0311,1.1);(141.0697,5.2);(143.0855,8.09);(144.0572,1.02);(145.0284,8.3);(147.044,2.27);(149.0233,5.18);(152.062,40.42);(153.0698,49.22);(154.0776,1.0);(156.0569,1.12);(157.0647,13.1);(165.0698,2.45);(168.0567,1.3);(169.0647,7.64);(170.0727,1.97);(171.0803,13.3);(181.0647,72.34);(182.0725,5.67);(184.0518,11.14);(185.0594,2.03);(193.0495,1.15);(197.0597,9.83);(198.0675,6.76);(199.0753,48.18);(209.0596,5.88);(210.0673,2.49);(211.0753,1.16);(212.0466,1.85);(225.0544,1.18);(226.0622,2.49);(227.0702,13.39);(237.0544,9.15);(255.065,8.01)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(89.0039,5.52);(101.0399,26.79);(107.0136,20.03);(115.0553,20.29);(117.0347,5.73);(119.0502,85.18);(120.0533,9.45);(139.0556,7.59);(143.05,100.0);(144.054,8.93);(145.0293,73.72);(146.0324,9.65);(151.0027,5.27);(155.0496,8.31);(165.071,6.14);(167.0503,12.65);(169.0649,5.52);(181.0668,5.27);(253.0512,9.45)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(153.0179,4.1);(255.0651,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(253.051,100.0);(254.0543,16.13);(255.057,1.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(253.05054,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02412,21.5);(65.00142,5.8);(66.0043,1.3);(77.03819,6.2);(79.0178,5.0);(83.01105,2.6);(88.99943,6.1);(101.03883,13.6);(102.04506,2.6);(107.01191,34.2);(115.05622,17.7);(116.06171,1.2);(117.03255,2.7);(119.04855,42.8);(120.05234,5.2);(121.02475,2.0);(125.03989,1.5);(128.06686,1.1);(129.03485,1.5);(130.04013,3.3);(139.05135,6.0);(140.05121,1.4);(141.07286,3.0);(143.04968,100.0);(144.05316,10.9);(145.0284,42.4);(146.03244,4.0);(148.01622,1.6);(149.03746,1.2);(150.99971,4.1);(153.06731,2.1);(155.0529,7.1);(156.05438,2.9);(165.07024,8.2);(167.05014,12.1);(169.06044,1.3);(180.05678,14.1);(181.06314,8.1);(182.06975,1.9);(183.04616,4.1);(185.06381,7.9);(186.05954,1.3);(191.37198,1.4);(196.05638,1.1);(208.04926,4.2);(209.05942,10.1);(210.06422,3.8);(211.03606,3.4);(212.0417,1.2);(250.18237,1.2);(253.05341,26.8)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(209.0607,1.13);(253.0504,100.0);(254.0537,16.85);(255.0562,2.24)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.0178,10.23);(68.9971,5.42);(103.0543,10.58);(105.0336,3.85);(129.0335,5.43);(147.0441,5.52);(153.0183,32.62);(171.0436,1.15);(181.065,1.05);(187.0755,1.83);(209.0598,3.88);(213.0546,1.31);(231.0653,1.24);(255.0653,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0306878973);(51.0234751,0.090175187);(53.03912516,0.0483470017);(67.01838972,0.0000209403);(68.99765427,0.0128853165);(75.0234751,0.0000340365);(77.03912516,0.0001287328);(85.0289544,0.0001102215);(92.99765427,0.0002774939);(103.0547752,0.2032478553);(109.0289544,0.0008234898);(111.008219,0.0001264414);(127.0395191,0.0082498138);(129.0340398,0.0216934044);(135.008219,0.0048175303);(153.0187836,0.6973112636);(171.0446045,0.0001299714);(179.0344337,0.000117777);(185.023869,0.0003257148);(187.0395191,0.0020719085);(195.0446045,0.0000253738);(203.0344337,0.0354399768);(205.0500838,0.0204108135);(209.023869,0.0001179493);(211.0395191,0.002708828);(213.0551691,0.0660799684);(227.0344337,0.0320706815);(229.0500838,0.1242381544);(237.0551691,2.180830095);(239.0344337,0.2679696919);(255.0657338,96.14852647)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.0721449919);(51.0234751,1.40119086);(53.03912516,0.5012999615);(68.99765427,0.2176595611);(75.0234751,0.0012287956);(77.03912516,0.0026859497);(85.0289544,0.0017152177);(92.99765427,0.0013149553);(103.0183897,0.0010184168);(103.0547752,0.438227748);(109.0289544,0.0031112617);(111.008219,0.0012531763);(127.0395191,0.0199718807);(129.0340398,0.3639198135);(135.008219,0.017262403);(153.0187836,1.212068666);(171.0446045,0.0041166384);(179.0344337,0.0016183325);(185.023869,0.0049530784);(187.0395191,0.0208685351);(195.0446045,0.0041034024);(203.0344337,0.5116088374);(205.0500838,0.1289623527);(209.023869,0.0150526754);(211.0395191,0.0526547919);(213.0551691,1.092916319);(227.0344337,0.4332941167);(229.0500838,1.132899315);(237.0551691,4.352339625);(239.0344337,0.6560377889);(255.0657338,87.33250053)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,1.895451646);(51.0234751,9.156187204);(53.03912516,4.060731947);(67.01838972,0.6555642759);(68.99765427,4.903187391);(75.0234751,0.6077328988);(77.03912516,1.600989127);(85.0289544,1.550136926);(92.99765427,0.4262558158);(103.0183897,0.3046610677);(103.0547752,12.02595847);(109.0289544,3.624027217);(111.008219,0.6280057519);(127.0395191,1.109637218);(129.0340398,5.977395729);(135.008219,10.14487706);(145.0653399,0.4091141963);(153.0187836,12.72306273);(171.0446045,0.4861272474);(179.0344337,0.2302215462);(187.0395191,0.2869160273);(195.0446045,0.1888418034);(203.0344337,0.5047431591);(209.023869,0.2694826288);(211.0395191,1.922501414);(213.0551691,1.743615866);(227.0344337,0.7635578531);(229.0500838,1.89167927);(237.0551691,12.51248269);(239.0344337,0.9150824482);(255.0657338,6.481771379)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1516089607);(41.00273965,0.061873066);(49.00782503,0.0027152067);(51.0234751,0.0109310249);(57.03403978,0.0000228019);(65.00273965,0.0002490258);(75.0234751,0.00017111);(83.01330434,0.0002117053);(101.0391252,0.2715011503);(107.0133043,0.0035393198);(108.9925689,0.0002284903);(119.0496898,0.0000382609);(125.023869,0.2006955384);(127.0183897,0.0210428298);(132.9925689,0.0021978261);(143.0496898,0.0001741177);(145.0289544,0.0000394882);(151.0031336,0.6470676705);(157.0289544,0.000065503);(167.0496898,0.0000479069);(169.0289544,0.0005048424);(185.0602545,0.0170851657);(193.0289544,0.0000475893);(201.0187836,0.0261500665);(203.0344337,0.0106422201);(211.0395191,0.1610986335);(225.0187836,0.0127872367);(227.0344337,0.1756431224);(235.0395191,0.778965108);(237.0187836,0.0330061152);(253.0500838,97.4096489)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.1365619291);(41.00273965,0.3435776428);(49.00782503,0.0551363288);(51.0234751,0.177599778);(57.03403978,0.0006231129);(65.00273965,0.0062358916);(73.00782503,0.0003331531);(75.0234751,0.0015089417);(83.01330434,0.018401116);(101.0391252,0.7349110275);(107.0133043,0.0750421433);(108.9925689,0.0051332384);(119.0496898,0.000769073);(125.023869,1.717798975);(127.0183897,0.6657724978);(132.9925689,0.0133104855);(143.0496898,0.0075701988);(151.0031336,1.753822322);(157.0289544,0.0017907056);(167.0496898,0.0006765312);(169.0289544,0.0050359459);(185.0602545,0.0972834074);(193.0289544,0.0014069486);(201.0187836,0.0681484555);(203.0344337,0.0174139343);(211.0395191,1.360199114);(225.0187836,0.2073132353);(227.0344337,0.4799677512);(235.0395191,1.828497611);(237.0187836,0.0938465909);(253.0500838,90.12431191)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(17.00273965,0.3018614868);(41.00273965,3.763731957);(49.00782503,0.943873261);(51.0234751,1.304138969);(65.00273965,3.037562056);(75.0234751,0.910139079);(83.01330434,2.348658628);(101.0391252,19.3429793);(103.0183897,0.2517033312);(107.0133043,4.305203288);(108.9925689,1.355818639);(109.0289544,0.3523701837);(119.0496898,0.6039737554);(125.023869,5.43580292);(127.0183897,3.482242814);(132.9925689,1.029706969);(143.0496898,2.423133908);(151.0031336,14.81149196);(157.0289544,0.5393297656);(167.0496898,0.4261374712);(169.0289544,0.8486523908);(185.0602545,1.777932087);(193.0289544,0.4918995027);(201.0187836,1.261904155);(203.0344337,0.4439306822);(211.0395191,9.001907201);(225.0187836,0.5712262841);(227.0344337,1.962552661);(235.0395191,3.104155359);(237.0187836,1.231265525);(253.0500838,12.33471441)

Food Sources

No food source information available

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
Chrysin	Chrysin	rat	plasma	unchanged	3h-5h	<20 nmol/L	No data	C₁₅H₁₀O₄	254.057908802	Publications
Chrysin	Chrysin glucuronide	rat	plasma	host metabolism	5h-8h	50-200 nmol/L	No data			Publications
Chrysin	Chrysin sulfate	rat	plasma	host metabolism	5h-8h	50-200 nmol/L	No data			Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Chrysin