PhytoHub: Showing entry for Biochanin A

Biochanin A

Identification

PhytoHub ID

PHUB000220

Name

Biochanin A

Systematic Name

Not Available

Synonyms

4'-Methylgenistein
5,7-Dihydroxy-4'-methoxyisoflavone
Pratensol

CAS Number

Not Available

Average Mass

284.267

Monoisotopic Mass

284.068473486

Chemical Formula

C₁₆H₁₂O₅

IUPAC Name

5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

InChI Key

WUADCCWRTIWANL-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3

SMILES

COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 5.83e-02 g/l
LogS (ALOGPS): -3.69
LogP (ALOGPS): 3.44
Hydrogen Acceptors: 5
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 75.99000000000001
Refractivity: 76.16519999999997
Polarizability: 28.67070117912462
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.716057035165476
pKa (strongest acidic): 6.5479486099736
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: Isoflavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Isoflavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: O-methylated isoflavonoids
Direct Parent Name: 4'-O-methylisoflavones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Isoflavones", "Methoxybenzenes", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["7-hydroxyisoflavones", "Isoflavonoids", "isoflavones", "methoxyisoflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "4p-o-methylisoflavone", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol ether", "Phenoxy compound", "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	(70.0,0.011);(71.0,0.013);(72.0,0.019);(76.0,0.032);(77.0,0.078);(78.0,0.014);(79.0,0.018);(80.0,0.002);(81.0,0.006);(82.0,0.004);(83.0,0.028);(84.0,0.006);(85.0,0.019);(86.0,0.011);(87.0,0.021);(88.0,0.011);(89.0,0.103);(90.0,0.019);(91.0,0.026);(92.0,0.01);(93.0,0.015);(94.0,0.004);(95.0,0.009);(96.0,0.005);(97.0,0.008);(98.0,0.012);(99.0,0.048);(100.0,0.009);(101.0,0.016);(102.0,0.016);(103.0,0.024);(104.0,0.009);(105.0,0.023);(106.0,0.007);(107.0,0.016);(108.0,0.005);(109.0,0.012);(110.0,0.007);(111.0,0.014);(112.0,0.01);(113.0,0.017);(114.0,0.008);(115.0,0.022);(116.0,0.008);(117.0,0.065);(118.0,0.015);(119.0,0.034);(120.0,0.016);(121.0,0.014);(122.0,0.007);(123.0,0.01);(124.0,0.007);(125.0,0.014);(126.0,0.018);(127.0,0.018);(128.0,0.011);(129.0,0.012);(130.0,0.004);(131.0,0.016);(132.0,0.047);(133.0,0.065);(134.0,0.015);(135.0,0.031);(136.0,0.007);(137.0,0.014);(138.0,0.015);(139.0,0.045);(140.0,0.019);(141.0,0.019);(142.0,0.008);(143.0,0.014);(144.0,0.004);(145.0,0.009);(146.0,0.007);(150.0,0.03);(151.0,0.034);(152.0,0.028);(153.0,0.018);(154.0,0.012);(155.0,0.025);(156.0,0.021);(157.0,0.011);(158.0,0.004);(159.0,0.007);(160.0,0.005);(161.0,0.012);(162.0,0.028);(163.0,0.056);(164.0,0.024);(165.0,0.051);(166.0,0.018);(167.0,0.024);(168.0,0.012);(169.0,0.022);(170.0,0.013);(171.0,0.009);(172.0,0.003);(173.0,0.004);(174.0,0.005);(175.0,0.01);(176.0,0.017);(177.0,0.033);(178.0,0.07);(179.0,0.029);(180.0,0.009);(181.0,0.016);(182.0,0.008);(183.0,0.013);(184.0,0.017);(185.0,0.014);(186.0,0.004);(187.0,0.005);(188.0,0.003);(189.0,0.01);(190.0,0.007);(191.0,0.021);(192.0,0.017);(193.0,0.015);(194.0,0.01);(195.0,0.019);(196.0,0.007);(197.0,0.012);(198.0,0.012);(199.0,0.244);(200.0,0.038);(201.0,0.006);(202.0,0.003);(203.0,0.004);(204.0,0.002);(205.0,0.008);(206.0,0.007);(207.0,0.023);(208.0,0.008);(209.0,0.019);(210.0,0.014);(211.0,0.012);(212.0,0.004);(213.0,0.008);(214.0,0.011);(215.0,0.004);(216.0,0.002);(217.0,0.003);(218.0,0.002);(219.0,0.005);(220.0,0.004);(221.0,0.01);(222.0,0.009);(223.0,0.03);(224.0,0.014);(225.0,0.016);(226.0,0.007);(227.0,0.007);(228.0,0.002);(229.0,0.003);(230.0,0.001);(231.0,0.002);(232.0,0.001);(233.0,0.004);(234.0,0.004);(235.0,0.014);(236.0,0.009);(237.0,0.015);(238.0,0.008);(239.0,0.02);(240.0,0.025);(241.0,0.022);(242.0,0.007);(243.0,0.005);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.003);(248.0,0.002);(249.0,0.008);(250.0,0.005);(251.0,0.015);(252.0,0.013);(253.0,0.036);(254.0,0.012);(255.0,0.008);(256.0,0.004);(257.0,0.002);(258.0,0.001);(259.0,0.004);(260.0,0.001);(261.0,0.002);(262.0,0.001);(263.0,0.004);(264.0,0.003);(265.0,0.008);(266.0,0.008);(267.0,0.015);(268.0,0.015);(269.0,0.06);(270.0,0.019);(271.0,0.007);(272.0,0.004);(273.0,0.002);(274.0,0.001);(275.0,0.001);(276.0,0.001);(277.0,0.003);(278.0,0.002);(279.0,0.007);(280.0,0.008);(281.0,0.014);(282.0,0.009);(283.0,0.013);(284.0,0.006);(285.0,0.003);(286.0,0.001);(287.0,0.001);(288.0,0.001);(289.0,0.001);(290.0,0.001);(291.0,0.002);(292.0,0.002);(293.0,0.005);(294.0,0.004);(295.0,0.009);(296.0,0.011);(297.0,0.039);(298.0,0.041);(299.0,0.017);(300.0,0.005);(301.0,0.002);(302.0,0.001);(303.0,0.001);(304.0,0.001);(305.0,0.001);(306.0,0.001);(307.0,0.003);(308.0,0.004);(309.0,0.011);(310.0,0.008);(311.0,0.018);(312.0,0.054);(313.0,0.025);(314.0,0.009);(315.0,0.004);(316.0,0.002);(317.0,0.001);(318.0,0.001);(319.0,0.001);(320.0,0.001);(321.0,0.002);(322.0,0.002);(323.0,0.007);(324.0,0.009);(325.0,0.014);(326.0,0.015);(327.0,0.014);(328.0,0.006);(329.0,0.003);(330.0,0.001);(331.0,0.002);(332.0,0.001);(333.0,0.001);(334.0,0.001);(335.0,0.001);(336.0,0.001);(337.0,0.003);(338.0,0.007);(339.0,0.014);(340.0,0.049);(341.0,0.077);(342.0,0.035);(343.0,0.015);(344.0,0.007);(345.0,0.002);(346.0,0.001);(347.0,0.001);(348.0,0.001);(349.0,0.001);(350.0,0.001);(351.0,0.002);(352.0,0.002);(353.0,0.006);(354.0,0.007);(355.0,0.011);(356.0,0.008);(357.0,0.005);(358.0,0.002);(359.0,0.001);(360.0,0.001);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.001);(366.0,0.001);(367.0,0.005);(368.0,0.012);(369.0,0.035);(370.0,0.115);(371.0,0.08);(372.0,0.041);(373.0,0.016);(374.0,0.005);(375.0,0.001);(376.0,0.001);(377.0,0.001);(378.0,0.001);(379.0,0.001);(380.0,0.002);(381.0,0.004);(382.0,0.006);(383.0,0.01);(384.0,0.007);(385.0,0.005);(386.0,0.003);(387.0,0.002);(388.0,0.002);(389.0,0.002);(390.0,0.002);(391.0,0.002);(392.0,0.001);(393.0,0.001);(394.0,0.001);(395.0,0.002);(396.0,0.005);(397.0,0.016);(398.0,0.053);(399.0,0.04);(400.0,0.016);(401.0,0.005);(402.0,0.002);(403.0,0.002);(404.0,0.003);(405.0,0.004);(406.0,0.004);(407.0,0.005);(408.0,0.005);(409.0,0.006);(410.0,0.009);(411.0,0.035);(412.0,0.152);(413.0,1.0);(414.0,0.38);(415.0,0.151);(416.0,0.038);(417.0,0.009);(418.0,0.002);(419.0,0.001);(420.0,0.0);(421.0,0.0);(422.0,0.001);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.001);(427.0,0.006);(428.0,0.006);(429.0,0.002);(430.0,0.001);(431.0,0.0);(433.0,0.0);(434.0,0.0);(435.0,0.0);(436.0,0.0);(437.0,0.0);(438.0,0.0);(439.0,0.0);(440.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(459.0,0.0);(460.0,0.0);(468.0,0.0);(470.0,0.0);(475.0,0.0);(477.0,0.0);(478.0,0.0);(496.0,0.0);(497.0,0.0);(499.0,0.0);(548.0,0.0)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.011);(71.0,0.013);(72.0,0.019);(76.0,0.032);(77.0,0.078);(78.0,0.014);(79.0,0.018);(80.0,0.002);(81.0,0.006);(82.0,0.004);(83.0,0.028);(84.0,0.006);(85.0,0.019);(86.0,0.011);(87.0,0.021);(88.0,0.011);(89.0,0.103);(90.0,0.019);(91.0,0.026);(92.0,0.01);(93.0,0.015);(94.0,0.004);(95.0,0.009);(96.0,0.005);(97.0,0.008);(98.0,0.012);(99.0,0.048);(100.0,0.009);(101.0,0.016);(102.0,0.016);(103.0,0.024);(104.0,0.009);(105.0,0.023);(106.0,0.007);(107.0,0.016);(108.0,0.005);(109.0,0.012);(110.0,0.007);(111.0,0.014);(112.0,0.01);(113.0,0.017);(114.0,0.008);(115.0,0.022);(116.0,0.008);(117.0,0.065);(118.0,0.015);(119.0,0.034);(120.0,0.016);(121.0,0.014);(122.0,0.007);(123.0,0.01);(124.0,0.007);(125.0,0.014);(126.0,0.018);(127.0,0.018);(128.0,0.011);(129.0,0.012);(130.0,0.004);(131.0,0.016);(132.0,0.047);(133.0,0.065);(134.0,0.015);(135.0,0.031);(136.0,0.007);(137.0,0.014);(138.0,0.015);(139.0,0.045);(140.0,0.019);(141.0,0.019);(142.0,0.008);(143.0,0.014);(144.0,0.004);(145.0,0.009);(146.0,0.007);(150.0,0.03);(151.0,0.034);(152.0,0.028);(153.0,0.018);(154.0,0.012);(155.0,0.025);(156.0,0.021);(157.0,0.011);(158.0,0.004);(159.0,0.007);(160.0,0.005);(161.0,0.012);(162.0,0.028);(163.0,0.056);(164.0,0.024);(165.0,0.051);(166.0,0.018);(167.0,0.024);(168.0,0.012);(169.0,0.022);(170.0,0.013);(171.0,0.009);(172.0,0.003);(173.0,0.004);(174.0,0.005);(175.0,0.01);(176.0,0.017);(177.0,0.033);(178.0,0.07);(179.0,0.029);(180.0,0.009);(181.0,0.016);(182.0,0.008);(183.0,0.013);(184.0,0.017);(185.0,0.014);(186.0,0.004);(187.0,0.005);(188.0,0.003);(189.0,0.01);(190.0,0.007);(191.0,0.021);(192.0,0.017);(193.0,0.015);(194.0,0.01);(195.0,0.019);(196.0,0.007);(197.0,0.012);(198.0,0.012);(199.0,0.244);(200.0,0.038);(201.0,0.006);(202.0,0.003);(203.0,0.004);(204.0,0.002);(205.0,0.008);(206.0,0.007);(207.0,0.023);(208.0,0.008);(209.0,0.019);(210.0,0.014);(211.0,0.012);(212.0,0.004);(213.0,0.008);(214.0,0.011);(215.0,0.004);(216.0,0.002);(217.0,0.003);(218.0,0.002);(219.0,0.005);(220.0,0.004);(221.0,0.01);(222.0,0.009);(223.0,0.03);(224.0,0.014);(225.0,0.016);(226.0,0.007);(227.0,0.007);(228.0,0.002);(229.0,0.003);(230.0,0.001);(231.0,0.002);(232.0,0.001);(233.0,0.004);(234.0,0.004);(235.0,0.014);(236.0,0.009);(237.0,0.015);(238.0,0.008);(239.0,0.02);(240.0,0.025);(241.0,0.022);(242.0,0.007);(243.0,0.005);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.003);(248.0,0.002);(249.0,0.008);(250.0,0.005);(251.0,0.015);(252.0,0.013);(253.0,0.036);(254.0,0.012);(255.0,0.008);(256.0,0.004);(257.0,0.002);(258.0,0.001);(259.0,0.004);(260.0,0.001);(261.0,0.002);(262.0,0.001);(263.0,0.004);(264.0,0.003);(265.0,0.008);(266.0,0.008);(267.0,0.015);(268.0,0.015);(269.0,0.06);(270.0,0.019);(271.0,0.007);(272.0,0.004);(273.0,0.002);(274.0,0.001);(275.0,0.001);(276.0,0.001);(277.0,0.003);(278.0,0.002);(279.0,0.007);(280.0,0.008);(281.0,0.014);(282.0,0.009);(283.0,0.013);(284.0,0.006);(285.0,0.003);(286.0,0.001);(287.0,0.001);(288.0,0.001);(289.0,0.001);(290.0,0.001);(291.0,0.002);(292.0,0.002);(293.0,0.005);(294.0,0.004);(295.0,0.009);(296.0,0.011);(297.0,0.039);(298.0,0.041);(299.0,0.017);(300.0,0.005);(301.0,0.002);(302.0,0.001);(303.0,0.001);(304.0,0.001);(305.0,0.001);(306.0,0.001);(307.0,0.003);(308.0,0.004);(309.0,0.011);(310.0,0.008);(311.0,0.018);(312.0,0.054);(313.0,0.025);(314.0,0.009);(315.0,0.004);(316.0,0.002);(317.0,0.001);(318.0,0.001);(319.0,0.001);(320.0,0.001);(321.0,0.002);(322.0,0.002);(323.0,0.007);(324.0,0.009);(325.0,0.014);(326.0,0.015);(327.0,0.014);(328.0,0.006);(329.0,0.003);(330.0,0.001);(331.0,0.002);(332.0,0.001);(333.0,0.001);(334.0,0.001);(335.0,0.001);(336.0,0.001);(337.0,0.003);(338.0,0.007);(339.0,0.014);(340.0,0.049);(341.0,0.077);(342.0,0.035);(343.0,0.015);(344.0,0.007);(345.0,0.002);(346.0,0.001);(347.0,0.001);(348.0,0.001);(349.0,0.001);(350.0,0.001);(351.0,0.002);(352.0,0.002);(353.0,0.006);(354.0,0.007);(355.0,0.011);(356.0,0.008);(357.0,0.005);(358.0,0.002);(359.0,0.001);(360.0,0.001);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.001);(366.0,0.001);(367.0,0.005);(368.0,0.012);(369.0,0.035);(370.0,0.115);(371.0,0.08);(372.0,0.041);(373.0,0.016);(374.0,0.005);(375.0,0.001);(376.0,0.001);(377.0,0.001);(378.0,0.001);(379.0,0.001);(380.0,0.002);(381.0,0.004);(382.0,0.006);(383.0,0.01);(384.0,0.007);(385.0,0.005);(386.0,0.003);(387.0,0.002);(388.0,0.002);(389.0,0.002);(390.0,0.002);(391.0,0.002);(392.0,0.001);(393.0,0.001);(394.0,0.001);(395.0,0.002);(396.0,0.005);(397.0,0.016);(398.0,0.053);(399.0,0.04);(400.0,0.016);(401.0,0.005);(402.0,0.002);(403.0,0.002);(404.0,0.003);(405.0,0.004);(406.0,0.004);(407.0,0.005);(408.0,0.005);(409.0,0.006);(410.0,0.009);(411.0,0.035);(412.0,0.152);(413.0,1.0);(414.0,0.38);(415.0,0.151);(416.0,0.038);(417.0,0.009);(418.0,0.002);(419.0,0.001);(420.0,0.0);(421.0,0.0);(422.0,0.001);(423.0,0.0);(424.0,0.0);(425.0,0.0);(426.0,0.001);(427.0,0.006);(428.0,0.006);(429.0,0.002);(430.0,0.001);(431.0,0.0);(433.0,0.0);(434.0,0.0);(435.0,0.0);(436.0,0.0);(437.0,0.0);(438.0,0.0);(439.0,0.0);(440.0,0.0);(441.0,0.0);(442.0,0.0);(443.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(459.0,0.0);(460.0,0.0);(468.0,0.0);(470.0,0.0);(475.0,0.0);(477.0,0.0);(478.0,0.0);(496.0,0.0);(497.0,0.0);(499.0,0.0);(548.0,0.0)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,1.801802);(86.0,0.800801);(87.0,1.601602);(88.0,1.001001);(89.0,11.811812);(90.0,2.002002);(91.0,2.802803);(92.0,1.101101);(93.0,1.501502);(94.0,0.2002);(95.0,0.800801);(96.0,0.700701);(97.0,0.800801);(98.0,1.001001);(99.0,4.804805);(100.0,0.800801);(101.0,1.401401);(102.0,1.601602);(103.0,2.602603);(104.0,0.800801);(105.0,2.302302);(106.0,0.600601);(107.0,1.601602);(108.0,0.4004);(109.0,1.101101);(110.0,0.500501);(111.0,1.301301);(112.0,0.800801);(113.0,1.401401);(114.0,0.600601);(115.0,2.202202);(116.0,0.700701);(117.0,7.107107);(118.0,1.301301);(119.0,3.403403);(120.0,1.501502);(121.0,1.301301);(122.0,0.500501);(123.0,0.900901);(124.0,0.500501);(125.0,1.301301);(126.0,1.601602);(127.0,1.601602);(128.0,0.900901);(129.0,1.001001);(130.0,0.4004);(131.0,1.501502);(132.0,4.704705);(133.0,6.806807);(134.0,1.501502);(135.0,3.203203);(136.0,0.600601);(137.0,1.101101);(138.0,1.301301);(139.0,4.004004);(140.0,1.701702);(141.0,1.701702);(142.0,0.700701);(143.0,1.201201);(144.0,0.3003);(145.0,0.900901);(146.0,0.600601);(147.0,3.603604);(148.0,2.402402);(149.0,2.102102);(150.0,2.502503);(151.0,3.003003);(152.0,2.402402);(153.0,1.601602);(154.0,1.101101);(155.0,2.302302);(156.0,1.901902);(157.0,0.900901);(158.0,0.2002);(159.0,0.600601);(160.0,0.4004);(161.0,1.101101);(162.0,2.402402);(163.0,4.904905);(164.0,1.901902);(165.0,4.604605);(166.0,1.601602);(167.0,2.102102);(168.0,1.101101);(169.0,2.002002);(170.0,1.101101);(171.0,0.800801);(172.0,0.2002);(173.0,0.3003);(174.0,0.3003);(175.0,0.800801);(176.0,1.501502);(177.0,3.103103);(178.0,6.106106);(179.0,2.502503);(180.0,0.700701);(181.0,1.401401);(182.0,0.700701);(183.0,1.201201);(184.0,1.501502);(185.0,1.201201);(186.0,0.3003);(187.0,0.3003);(188.0,0.1001);(189.0,0.800801);(190.0,0.500501);(191.0,2.102102);(192.0,1.601602);(193.0,1.401401);(194.0,0.900901);(195.0,1.701702);(196.0,0.500501);(197.0,0.900901);(198.0,0.900901);(199.0,21.421421);(200.0,3.603604);(201.0,0.500501);(202.0,0.2002);(203.0,0.3003);(204.0,0.1001);(205.0,0.700701);(206.0,0.800801);(207.0,3.403403);(208.0,1.001001);(209.0,1.801802);(210.0,1.201201);(211.0,1.101101);(212.0,0.3003);(213.0,0.700701);(214.0,1.101101);(215.0,0.3003);(216.0,0.1001);(217.0,0.1001);(218.0,0.1001);(219.0,0.4004);(220.0,0.3003);(221.0,1.001001);(222.0,0.700701);(223.0,2.602603);(224.0,1.101101);(225.0,1.401401);(226.0,0.500501);(227.0,0.500501);(228.0,0.1001);(229.0,0.2002);(231.0,0.1001);(233.0,0.3003);(234.0,0.3003);(235.0,1.201201);(236.0,0.800801);(237.0,1.301301);(238.0,0.700701);(239.0,1.701702);(240.0,2.102102);(241.0,1.901902);(242.0,0.500501);(243.0,0.3003);(244.0,0.1001);(245.0,0.1001);(247.0,0.2002);(248.0,0.1001);(249.0,0.700701);(250.0,0.3003);(251.0,1.301301);(252.0,1.101101);(253.0,3.203203);(254.0,1.101101);(255.0,0.700701);(256.0,0.3003);(257.0,0.1001);(259.0,0.2002);(261.0,0.1001);(263.0,0.2002);(264.0,0.2002);(265.0,0.700701);(266.0,0.700701);(267.0,1.301301);(268.0,1.301301);(269.0,5.105105);(270.0,1.501502);(271.0,0.500501);(272.0,0.2002);(273.0,0.1001);(277.0,0.2002);(278.0,0.1001);(279.0,0.500501);(280.0,0.600601);(281.0,1.401401);(282.0,0.900901);(283.0,1.201201);(284.0,0.500501);(285.0,0.2002);(286.0,0.1001);(291.0,0.1001);(292.0,0.1001);(293.0,0.3003);(294.0,0.2002);(295.0,0.700701);(296.0,0.900901);(297.0,3.403403);(298.0,3.503504);(299.0,1.301301);(300.0,0.4004);(301.0,0.1001);(307.0,0.2002);(308.0,0.2002);(309.0,0.900901);(310.0,0.600601);(311.0,1.401401);(312.0,4.904905);(313.0,2.002002);(314.0,0.600601);(315.0,0.2002);(316.0,0.1001);(321.0,0.1001);(322.0,0.1001);(323.0,0.500501);(324.0,0.700701);(325.0,1.201201);(326.0,1.301301);(327.0,1.301301);(328.0,0.500501);(329.0,0.2002);(331.0,0.1001);(337.0,0.2002);(338.0,0.500501);(339.0,1.201201);(340.0,4.304304);(341.0,7.107107);(342.0,3.203203);(343.0,1.301301);(344.0,0.500501);(345.0,0.1001);(351.0,0.1001);(352.0,0.1001);(353.0,0.4004);(354.0,0.600601);(355.0,1.001001);(356.0,0.800801);(357.0,0.4004);(358.0,0.1001);(367.0,0.3003);(368.0,0.900901);(369.0,2.902903);(370.0,10.01001);(371.0,6.706707);(372.0,2.702703);(373.0,0.900901);(374.0,0.2002);(381.0,0.2002);(382.0,0.4004);(383.0,0.700701);(384.0,0.500501);(385.0,0.3003);(386.0,0.1001);(387.0,0.1001);(396.0,0.2002);(397.0,1.201201);(398.0,4.704705);(399.0,3.003003);(400.0,1.101101);(401.0,0.3003);(404.0,0.1001);(405.0,0.1001);(406.0,0.1001);(407.0,0.2002);(408.0,0.2002);(409.0,0.2002);(410.0,0.4004);(411.0,1.901902);(412.0,14.014014);(413.0,100.0);(414.0,42.342342);(415.0,15.915916);(416.0,4.104104);(417.0,0.900901);(418.0,0.2002);(427.0,0.600601);(428.0,0.600601);(429.0,0.2002);(430.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(106.0413131,1.794065671);(110.0362272,1.927356817);(120.0569623,2.07692062);(131.0491377,1.420903989);(132.0569623,3.017198062);(133.0647869,2.495675333);(136.0154921,3.495223985);(137.0233167,2.338829888);(138.0311413,3.258256867);(139.0389659,1.330381224);(146.0362272,2.145347856);(147.0440518,1.567076807);(148.0518764,2.931306716);(149.059701,2.101721019);(152.0104062,1.495753087);(178.0260554,1.275178213);(200.0467905,1.512348679);(214.0624397,2.505203141);(216.0780889,1.239209153);(240.0417046,4.507793207);(241.0495292,4.87010226);(242.0573538,2.137257069);(254.0573538,4.723694965);(255.0651784,3.353273279);(256.073003,16.93389436);(257.0763967,2.899228921);(266.0573538,3.610103097);(267.0651784,3.16158373);(283.0600925,2.208497436);(284.0679171,9.863744451);(285.0713101,1.802870099)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,5.405422769);(75.02606472,1.079201284);(99.02606472,0.8649886362);(113.0417139,0.962770498);(115.0573631,1.401793182);(132.0569623,1.334424065);(133.0647869,1.931871802);(147.0440518,1.140562047);(149.059701,1.685737);(201.0546151,1.099691324);(237.0761518,0.9061951962);(252.0996256,1.058544927);(253.0710659,1.307242333);(268.0945397,1.197335041);(281.06598,0.8242864988);(314.0968776,1.794162782);(315.1047022,2.174281989);(341.0839671,2.352067485);(355.0996163,3.231894539);(356.1022934,0.866288794);(356.1074409,1.755382847);(357.1152655,1.557246359);(383.1129276,0.9207710516);(385.1285768,1.906780811);(398.1364014,1.160706132);(400.1520506,2.372393675);(401.1543243,0.8114560514);(412.1156663,1.371609594);(413.1234909,6.097532886);(414.1257615,2.085148307);(428.1469647,0.9866812659)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(106.0413131,1.291559457);(107.0491377,0.8419070332);(110.0362272,1.056510006);(120.0569623,1.356278982);(131.0491377,1.419384102);(132.0569623,2.179510947);(133.0647869,1.796652781);(136.0154921,1.347797098);(137.0233167,1.59596901);(138.0311413,1.507848978);(146.0362272,1.077920305);(148.0518764,1.223954013);(149.059701,0.84161496);(152.0104062,1.076802302);(153.0182308,1.071208148);(178.0260554,0.9180090266);(200.0467905,1.088749576);(214.0624397,1.125425835);(240.0417046,3.239152749);(241.0495292,2.543927533);(242.0573538,1.609949655);(243.0651784,0.8565737914);(254.0573538,3.264537852);(255.0651784,1.726274942);(256.073003,8.284298974);(257.0763967,1.418343511);(266.0573538,2.030804955);(267.0651784,2.267212062);(283.0600925,1.589911559);(284.0679171,7.753548385);(285.0713101,1.417173834)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(104.0314,19.0);(107.0175,19.0);(132.0261,263.0);(133.0298,22.0);(134.042,25.0);(135.0137,44.0);(142.0463,8.0);(143.055,8.0);(151.0085,28.0);(154.0467,22.0);(155.056,8.0);(167.056,39.0);(168.0623,17.0);(170.0429,8.0);(171.0515,8.0);(180.0639,10.0);(183.05,30.0);(184.0587,42.0);(195.0516,98.0);(196.0573,44.0);(198.0375,17.0);(199.0447,8.0);(211.0471,327.0);(212.053,80.0);(213.0553,9.0);(222.0381,10.0);(223.0476,168.0);(224.0538,91.0);(225.0577,11.0);(226.0344,68.0);(227.0386,10.0);(239.0428,958.0);(240.0492,256.0);(241.0524,33.0);(250.035,14.0);(251.0418,13.0);(267.0384,999.0);(268.0456,850.0);(269.0489,95.0);(270.0499,9.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(104.03,47.0);(107.018,70.0);(117.038,42.0);(121.033,23.0);(123.049,20.0);(130.045,26.0);(132.026,569.0);(133.03,46.0);(134.042,64.0);(135.012,47.0);(141.041,39.0);(142.047,25.0);(143.054,62.0);(151.01,31.0);(154.047,50.0);(155.056,44.0);(156.064,20.0);(167.056,257.0);(168.06,38.0);(178.049,20.0);(179.057,36.0);(180.063,19.0);(182.043,37.0);(183.051,232.0);(184.057,82.0);(195.051,313.0);(196.057,49.0);(199.047,20.0);(210.04,50.0);(211.047,999.0);(212.052,150.0);(213.055,24.0);(223.047,163.0);(224.052,48.0);(226.035,33.0);(239.043,701.0);(240.048,107.0);(241.049,29.0);(267.038,500.0);(268.043,121.0);(269.05,20.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.026,18.0);(133.03,2.0);(135.014,6.0);(151.008,3.0);(153.023,1.0);(167.056,1.0);(168.063,1.0);(180.064,2.0);(183.048,1.0);(184.059,3.0);(195.051,3.0);(196.059,7.0);(197.065,1.0);(198.038,2.0);(211.047,19.0);(212.053,9.0);(213.056,2.0);(222.04,1.0);(223.047,21.0);(224.054,25.0);(225.059,3.0);(226.034,18.0);(227.038,3.0);(239.043,155.0);(240.05,67.0);(241.052,8.0);(242.056,1.0);(250.034,4.0);(267.039,200.0);(268.019,2.0);(268.047,999.0);(268.078,2.0);(269.049,125.0);(270.051,11.0);(271.054,1.0);(283.07,50.0);(284.073,6.0);(285.077,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(267.0298,2.0);(268.0392,94.0);(269.0425,16.0);(270.0459,2.0);(283.0653,999.0);(283.6106,4.0);(284.0662,197.0);(285.0686,27.0);(286.0703,3.0);(567.1323,3.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(267.0298,2.0);(268.0392,94.0);(269.0425,16.0);(270.0459,2.0);(283.0653,999.0);(283.6106,4.0);(284.0662,197.0);(285.0686,27.0);(286.0703,3.0);(567.1323,3.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(104.0314,19.0);(107.0175,19.0);(132.0261,263.0);(133.0298,22.0);(134.042,25.0);(135.0137,44.0);(142.0463,8.0);(143.055,8.0);(151.0085,28.0);(154.0467,22.0);(155.056,8.0);(167.056,39.0);(168.0623,17.0);(170.0429,8.0);(171.0515,8.0);(180.0639,10.0);(183.05,30.0);(184.0587,42.0);(195.0516,98.0);(196.0573,44.0);(198.0375,17.0);(199.0447,8.0);(211.0471,327.0);(212.053,80.0);(213.0553,9.0);(222.0381,10.0);(223.0476,168.0);(224.0538,91.0);(225.0577,11.0);(226.0344,68.0);(227.0386,10.0);(239.0428,958.0);(240.0492,256.0);(241.0524,33.0);(250.035,14.0);(251.0418,13.0);(267.0384,999.0);(268.0456,850.0);(269.0489,95.0);(270.0499,9.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(104.03,47.0);(107.018,70.0);(117.038,42.0);(121.033,23.0);(123.049,20.0);(130.045,26.0);(132.026,569.0);(133.03,46.0);(134.042,64.0);(135.012,47.0);(141.041,39.0);(142.047,25.0);(143.054,62.0);(151.01,31.0);(154.047,50.0);(155.056,44.0);(156.064,20.0);(167.056,257.0);(168.06,38.0);(178.049,20.0);(179.057,36.0);(180.063,19.0);(182.043,37.0);(183.051,232.0);(184.057,82.0);(195.051,313.0);(196.057,49.0);(199.047,20.0);(210.04,50.0);(211.047,999.0);(212.052,150.0);(213.055,24.0);(223.047,163.0);(224.052,48.0);(226.035,33.0);(239.043,701.0);(240.048,107.0);(241.049,29.0);(267.038,500.0);(268.043,121.0);(269.05,20.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.026,18.0);(133.03,2.0);(135.014,6.0);(151.008,3.0);(153.023,1.0);(167.056,1.0);(168.063,1.0);(180.064,2.0);(183.048,1.0);(184.059,3.0);(195.051,3.0);(196.059,7.0);(197.065,1.0);(198.038,2.0);(211.047,19.0);(212.053,9.0);(213.056,2.0);(222.04,1.0);(223.047,21.0);(224.054,25.0);(225.059,3.0);(226.034,18.0);(227.038,3.0);(239.043,155.0);(240.05,67.0);(241.052,8.0);(242.056,1.0);(250.034,4.0);(267.039,200.0);(268.019,2.0);(268.047,999.0);(268.078,2.0);(269.049,125.0);(270.051,11.0);(271.054,1.0);(283.07,50.0);(284.073,6.0);(285.077,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(267.0298,2.0);(268.0392,94.0);(269.0425,16.0);(270.0459,2.0);(283.0653,999.0);(283.6106,4.0);(284.0662,197.0);(285.0686,27.0);(286.0703,3.0);(567.1323,3.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(239.0427,16.0);(267.0418,24.0);(268.0466,999.0);(269.0494,127.0);(270.05,13.0);(283.0704,952.0);(284.0724,118.0);(285.0734,11.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(118.040703,1402.0);(121.045059,377.0);(123.042877,1529.0);(124.014473,2165.0);(133.063843,1359.0);(139.040756,309.0);(141.067245,395.0);(144.056778,291.0);(145.064896,723.0);(149.022079,2658.0);(152.009537,5085.0);(153.016022,4371.0);(158.034821,3192.0);(159.039719,382.0);(163.038345,315.0);(168.056915,652.0);(169.062149,676.0);(170.019821,4686.0);(171.039459,389.0);(173.05925,277.0);(179.033096,955.0);(183.077713,409.0);(184.050735,283.0);(185.057632,1052.0);(186.067184,1041.0);(187.073593,335.0);(196.051239,489.0);(197.059616,2521.0);(198.062683,400.0);(200.045563,412.0);(201.052292,512.0);(211.073471,340.0);(212.044846,293.0);(213.054245,10729.0);(214.059265,2527.0);(215.066711,288.0);(216.043015,579.0);(224.045624,429.0);(225.054001,1179.0);(226.061768,356.0);(229.085648,7006.0);(230.088425,633.0);(241.048233,3716.0);(242.05629,14640.0);(243.058426,1401.0);(252.041,960.0);(253.049347,6849.0);(269.044067,7771.0);(270.049225,11163.0);(285.075287,15136.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(288.098694,159.0);(307.056244,817.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(132.012283,1289.0);(134.024887,101.0);(134.9991,198.0);(150.993774,149.0);(153.009506,165.0);(154.033508,131.0);(167.042252,236.0);(183.033676,192.0);(184.043365,305.0);(195.037292,671.0);(196.046112,415.0);(198.022354,129.0);(211.031769,2458.0);(212.039307,640.0);(223.034363,798.0);(224.041992,715.0);(226.019623,473.0);(239.027954,4218.0);(240.034164,1489.0);(267.021149,4379.0);(268.029785,8131.0);(283.05481,151.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(267.0265,0.514313);(268.0371,9.88054);(283.0606,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(132.02,1.179237);(195.0444,0.573587);(211.0366,2.023585);(212.0474,0.840785);(223.0416,0.758844);(224.0459,1.278991);(226.0275,0.808721);(239.0339,2.960561);(240.0416,1.906017);(267.0303,4.146924);(268.0374,100.0);(268.0923,1.14361);(268.1875,1.549752);(283.0603,52.12512)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(104.027,12.45614);(104.0543,0.635965);(105.0356,1.907895);(107.0154,3.157895);(112.6482,0.701754);(117.0342,1.030702);(117.3468,0.504386);(127.0511,0.679825);(128.0644,0.570175);(130.0408,1.754386);(132.021,56.732456);(132.0536,1.315789);(132.0744,1.140351);(132.1291,1.052632);(134.0377,5.175439);(135.0065,10.219298);(141.032,0.526316);(142.044,3.77193);(143.0534,1.359649);(147.0048,1.644737);(151.0019,6.140351);(151.0604,0.701754);(152.0604,0.767544);(153.0344,0.921053);(154.0399,6.951754);(155.0479,2.5);(156.0579,1.798246);(158.0335,0.789474);(166.0401,2.675439);(167.0489,17.302632);(167.087,0.570175);(168.0573,1.096491);(170.0397,2.54386);(171.0452,2.083333);(178.0408,1.381579);(179.0495,3.72807);(180.0563,3.289474);(182.0372,2.916667);(183.0434,12.916667);(184.0521,10.723684);(194.0368,1.929825);(195.0447,25.921053);(195.0913,1.162281);(196.0519,9.561404);(197.0239,3.157895);(198.0349,3.75);(199.0459,2.149123);(200.0396,0.504386);(207.0801,0.679825);(210.0319,2.390351);(211.0398,100.0);(211.0857,3.662281);(211.1319,1.052632);(211.1746,1.20614);(211.2794,0.548246);(211.3926,0.548246);(211.6107,0.548246);(212.0479,7.017544);(212.0913,0.745614);(222.0298,0.811404);(223.04,25.504386);(223.0859,0.877193);(223.1134,0.504386);(224.0486,7.083333);(225.021,0.745614);(226.0262,7.061404);(239.0347,98.969298);(239.0812,4.320175);(239.1408,0.789474);(239.1793,0.942982);(239.2208,0.548246);(239.2711,0.504386);(239.4677,0.504386);(239.8219,0.504386);(240.0166,0.592105);(240.0424,14.934211);(240.0905,0.657895);(240.1063,1.008772);(240.2566,0.570175);(250.0245,1.513158);(251.0388,1.600877);(267.0297,93.114035);(267.0878,1.447368);(267.1349,1.030702);(267.1822,1.096491);(267.2177,0.701754);(267.2814,0.614035);(267.3368,0.592105);(267.3686,0.526316);(267.5639,0.833333);(268.0132,0.899123);(268.036,31.578947);(268.0929,0.921053);(268.1307,0.657895);(268.2772,0.526316)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.137537,100.0);(269.064437,0.817671)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.227989,100.0);(283.405367,28.277584);(284.127368,37.769738)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.21859,100.0);(283.35433,10.839623);(284.149293,16.669599)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.282362,100.0);(283.423339,23.987428);(284.144305,41.295685)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(104.0314,1.901902);(107.0175,1.901902);(132.0261,26.326326);(133.0298,2.202202);(134.042,2.502503);(135.0137,4.404404);(142.0463,0.800801);(143.055,0.800801);(151.0085,2.802803);(154.0467,2.202202);(155.056,0.800801);(167.056,3.903904);(168.0623,1.701702);(170.0429,0.800801);(171.0515,0.800801);(180.0639,1.001001);(183.05,3.003003);(184.0587,4.204204);(195.0516,9.80981);(196.0573,4.404404);(198.0375,1.701702);(199.0447,0.800801);(211.0471,32.732733);(212.053,8.008008);(213.0553,0.900901);(222.0381,1.001001);(223.0476,16.816817);(224.0538,9.109109);(225.0577,1.101101);(226.0344,6.806807);(227.0386,1.001001);(239.0428,95.895896);(240.0492,25.625626);(241.0524,3.303303);(250.035,1.401401);(251.0418,1.301301);(267.0384,100.0);(268.0456,85.085085);(269.0489,9.50951);(270.0499,0.900901)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(104.03,4.704705);(107.018,7.007007);(117.038,4.204204);(121.033,2.302302);(123.049,2.002002);(130.045,2.602603);(132.026,56.956957);(133.03,4.604605);(134.042,6.406406);(135.012,4.704705);(141.041,3.903904);(142.047,2.502503);(143.054,6.206206);(151.01,3.103103);(154.047,5.005005);(155.056,4.404404);(156.064,2.002002);(167.056,25.725726);(168.06,3.803804);(178.049,2.002002);(179.057,3.603604);(180.063,1.901902);(182.043,3.703704);(183.051,23.223223);(184.057,8.208208);(195.051,31.331331);(196.057,4.904905);(199.047,2.002002);(210.04,5.005005);(211.047,100.0);(212.052,15.015015);(213.055,2.402402);(223.047,16.316316);(224.052,4.804805);(226.035,3.303303);(239.043,70.17017);(240.048,10.710711);(241.049,2.902903);(267.038,50.05005);(268.043,12.112112);(269.05,2.002002)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(132.026,1.801802);(133.03,0.2002);(135.014,0.600601);(151.008,0.3003);(153.023,0.1001);(167.056,0.1001);(168.063,0.1001);(180.064,0.2002);(183.048,0.1001);(184.059,0.3003);(195.051,0.3003);(196.059,0.700701);(197.065,0.1001);(198.038,0.2002);(211.047,1.901902);(212.053,0.900901);(213.056,0.2002);(222.04,0.1001);(223.047,2.102102);(224.054,2.502503);(225.059,0.3003);(226.034,1.801802);(227.038,0.3003);(239.043,15.515516);(240.05,6.706707);(241.052,0.800801);(242.056,0.1001);(250.034,0.4004);(267.039,20.02002);(268.019,0.2002);(268.047,100.0);(268.078,0.2002);(269.049,12.512513);(270.051,1.101101);(271.054,0.1001);(283.07,5.005005);(284.073,0.600601);(285.077,0.1001)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(239.0427,1.601602);(267.0418,2.402402);(268.0466,100.0);(269.0494,12.712713);(270.05,1.301301);(283.0704,95.295295);(284.0724,11.811812);(285.0734,1.101101)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(285.076,100.0);(286.093,3.15614)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.043,1.99286);(149.023,2.12234);(152.01,3.75205);(153.018,1.12829);(229.084,6.13633);(242.054,2.63134);(253.048,3.8086);(269.043,2.19676);(270.052,8.0131);(285.058,100.0);(286.071,4.06162)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(67.016,0.97667);(68.995,1.40479);(79.053,1.29319);(90.044,2.10025);(96.018,1.4628);(103.053,2.47037);(105.066,3.75851);(107.047,2.85498);(111.01,3.65195);(115.052,1.61538);(118.04,29.40101);(119.047,3.05801);(121.036,9.70996);(123.04,27.59143);(124.012,32.03026);(129.064,1.20555);(130.042,2.66961);(131.049,2.75599);(132.052,2.0681);(133.062,13.39218);(135.043,1.7913);(136.016,1.00378);(139.041,2.79256);(141.07,3.30139);(144.052,2.11349);(145.058,5.27238);(146.07,0.93569);(149.022,28.70744);(151.041,0.90794);(152.009,79.25599);(153.018,35.43506);(155.058,1.87768);(157.062,1.78499);(158.038,28.99117);(159.06,3.31652);(161.078,3.53972);(163.041,2.33607);(167.039,1.09647);(168.059,5.18474);(169.066,4.27238);(170.026,8.62547);(171.052,2.69609);(172.053,1.93064);(173.066,2.85876);(179.037,7.98235);(181.068,1.12989);(183.066,4.64313);(184.054,1.83543);(185.062,6.08575);(186.067,7.00504);(187.074,2.27932);(196.054,3.38462);(197.061,17.52837);(198.068,2.34615);(199.062,1.50063);(200.049,2.26734);(201.067,4.33417);(211.066,3.84174);(212.056,2.10908);(213.057,76.73392);(214.065,14.5082);(215.068,1.15826);(216.045,4.17528);(224.049,3.82409);(225.056,10.06305);(226.064,2.71816);(227.05,2.05612);(229.088,47.13115);(230.091,1.49433);(241.052,35.87642);(242.06,100.0);(243.064,3.73392);(252.047,8.24086);(253.054,49.6406);(254.06,2.03026);(269.05,54.5145);(270.058,47.53468);(271.061,1.53531);(285.076,43.7831);(286.08,1.62421)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(55.015,0.86873);(65.036,1.19305);(67.016,2.86036);(68.023,0.78571);(68.995,5.74196);(77.037,3.79022);(79.052,4.16602);(89.036,6.74389);(90.044,17.97941);(91.051,2.31403);(95.048,1.44595);(96.018,7.54183);(102.044,4.33526);(103.052,5.3121);(105.065,2.25611);(107.046,0.95302);(108.022,2.60296);(111.009,3.78829);(115.052,13.86744);(116.057,2.60489);(117.061,3.00193);(118.04,27.58044);(119.046,2.47876);(121.037,10.92021);(123.038,5.13964);(124.012,39.42729);(125.02,1.09588);(127.049,2.08172);(128.058,5.61519);(129.063,6.75676);(130.041,11.19691);(131.046,5.91248);(132.051,2.49099);(133.06,5.21557);(134.037,1.11583);(135.04,1.11647);(136.014,1.51802);(137.021,1.29987);(139.052,6.08365);(140.06,4.21493);(141.068,8.82883);(143.047,3.69176);(144.053,3.59588);(145.059,6.91763);(147.043,1.41763);(149.022,3.92664);(151.049,1.07979);(152.007,14.64607);(153.018,23.18533);(155.052,4.75547);(156.055,0.84427);(157.058,10.28314);(158.04,20.25097);(159.048,3.14994);(160.052,2.04118);(167.048,1.75611);(168.057,10.88159);(169.064,6.00965);(170.024,1.86165);(171.044,12.87645);(172.051,1.68855);(173.06,1.61583);(179.047,1.40541);(181.065,0.90605);(183.052,2.66731);(184.053,4.04955);(185.061,19.49807);(186.067,5.83269);(187.049,1.64543);(195.047,2.05277);(196.053,2.67439);(197.06,15.88159);(198.059,1.26319);(199.04,2.96075);(200.047,1.63256);(201.056,1.09138);(211.049,1.36808);(212.049,1.84685);(213.055,100.0);(214.061,8.30116);(216.043,5.71879);(224.047,2.59717);(225.054,7.23295);(227.036,2.30245);(229.081,1.59588);(241.05,40.66924);(242.058,11.75676);(253.052,8.94466);(269.048,14.53024)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(229.082,0.2002);(242.054,0.1001);(253.044,0.2002);(269.04,0.1001);(270.048,0.6006);(285.071,100.0);(286.074,11.71171);(287.077,0.4004)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.043,0.1002);(149.022,0.2004);(152.008,0.3006);(153.017,0.1002);(170.019,0.1002);(213.051,0.2004);(229.083,1.80361);(230.086,0.1002);(241.047,0.1002);(242.054,0.7014);(252.038,0.2004);(253.046,1.40281);(254.049,0.1002);(257.076,0.4008);(269.04,0.8016);(270.048,3.90782);(271.051,0.3006);(285.071,100.0);(285.342,0.1002);(285.434,0.1002);(286.075,11.92385);(287.077,0.4008)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.042,0.7007);(124.015,0.2002);(133.063,0.2002);(149.021,1.4014);(150.025,0.1001);(152.008,3.003);(153.015,1.001);(158.034,0.2002);(163.037,0.1001);(170.018,1.001);(179.032,0.6006);(187.075,0.1001);(197.057,0.3003);(198.064,0.1001);(201.053,0.2002);(211.071,0.2002);(213.051,2.3023);(214.058,0.7007);(215.065,0.1001);(216.04,0.1001);(224.043,0.1001);(225.05,0.4004);(226.06,0.1001);(227.064,0.1001);(229.082,10.01001);(230.086,1.001);(239.065,0.1001);(241.046,1.1011);(242.053,7.20721);(243.057,1.001);(252.037,1.6016);(253.045,8.80881);(254.048,1.2012);(255.06,0.4004);(257.076,0.9009);(261.071,0.1001);(267.059,0.1001);(269.04,6.80681);(270.047,20.62062);(271.051,2.3023);(284.831,0.1001);(284.894,0.1001);(285.071,100.0);(285.391,0.1001);(285.602,0.1001);(286.074,11.61161);(287.077,0.4004)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(118.04,1.6016);(119.043,0.2002);(121.028,0.6006);(121.065,0.1001);(123.042,3.8038);(124.014,3.3033);(125.016,0.1001);(128.061,0.2002);(130.04,0.2002);(131.047,0.4004);(132.054,0.3003);(133.063,2.4024);(134.067,0.1001);(135.042,0.4004);(137.021,0.1001);(139.038,0.6006);(140.053,0.1001);(141.067,0.5005);(144.052,0.4004);(145.028,0.1001);(145.062,0.6006);(146.069,0.3003);(147.041,0.2002);(149.021,7.10711);(150.027,0.6006);(151.039,0.1001);(152.009,18.91892);(153.016,9.60961);(154.018,0.5005);(155.046,0.1001);(157.06,0.2002);(158.035,6.10611);(159.04,0.7007);(159.075,0.3003);(160.051,0.1001);(161.059,0.2002);(161.093,0.5005);(163.038,0.6006);(165.067,0.1001);(167.031,0.3003);(168.055,1.001);(169.062,1.2012);(170.019,6.00601);(171.031,0.3003);(172.048,0.4004);(173.059,0.8008);(176.042,0.1001);(177.049,0.1001);(179.031,2.6026);(180.037,0.2002);(181.064,0.2002);(183.048,0.2002);(183.073,0.7007);(184.052,0.3003);(185.057,0.9009);(186.063,1.6016);(187.072,0.5005);(191.031,0.1001);(192.039,0.1001);(196.048,1.001);(197.057,5.90591);(198.063,1.001);(199.069,0.4004);(200.043,0.9009);(201.052,1.5015);(202.06,0.1001);(210.032,0.3003);(211.038,0.4004);(211.07,1.5015);(212.046,0.7007);(213.052,39.53954);(214.057,10.61061);(215.064,1.3013);(216.038,2.002);(217.043,0.2002);(217.073,0.1001);(224.043,1.6016);(225.051,5.2052);(226.058,3.003);(227.056,0.9009);(228.041,0.5005);(229.082,39.63964);(230.086,4.3043);(231.087,0.1001);(235.039,0.1001);(239.065,0.8008);(240.07,0.2002);(241.046,16.61662);(241.787,0.1001);(242.053,74.77477);(242.171,0.1001);(243.057,8.20821);(244.062,0.2002);(252.037,7.70771);(252.109,0.1001);(253.046,48.54855);(254.049,5.80581);(255.057,1.4014);(256.058,0.3003);(257.077,1.9019);(258.08,0.2002);(261.067,0.2002);(267.059,0.8008);(268.733,0.1001);(269.04,52.75275);(269.891,0.1001);(270.048,77.57758);(271.051,8.60861);(272.051,0.2002);(274.045,0.7007);(284.796,0.1001);(284.969,0.1001);(285.071,100.0);(286.075,13.31331);(286.196,0.1001);(287.072,0.5005)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(115.052,0.6006);(116.061,0.1001);(118.04,2.1021);(119.047,0.3003);(121.026,0.7007);(121.063,0.3003);(123.042,2.1021);(124.014,5.50551);(125.018,0.2002);(126.03,0.1001);(127.053,0.2002);(128.06,0.5005);(129.066,0.5005);(130.039,1.3013);(130.081,0.1001);(131.047,1.3013);(132.053,0.7007);(133.064,2.7027);(134.035,0.1001);(134.07,0.1001);(135.043,0.3003);(137.02,0.4004);(139.043,0.7007);(140.059,0.5005);(141.068,1.6016);(142.072,0.1001);(144.054,0.7007);(145.028,0.1001);(145.062,2.1021);(146.067,0.6006);(147.044,0.3003);(149.022,5.005);(150.028,0.5005);(152.008,16.21622);(153.016,13.11311);(154.019,0.5005);(155.049,0.5005);(156.055,0.2002);(157.063,1.1011);(158.034,12.21221);(159.04,1.6016);(160.049,0.4004);(161.06,0.6006);(161.096,0.2002);(163.036,0.5005);(165.017,0.1001);(165.068,0.2002);(167.036,0.3003);(168.055,3.7037);(169.063,2.3023);(170.019,4.5045);(171.038,1.5015);(171.067,0.1001);(172.048,1.1011);(173.057,0.9009);(174.062,0.1001);(175.038,0.1001);(176.047,0.3003);(177.045,0.1001);(179.033,1.6016);(180.049,0.2002);(181.064,0.4004);(183.046,0.5005);(183.075,0.7007);(184.05,1.1011);(185.057,4.4044);(186.064,4.3043);(187.068,0.9009);(188.057,0.2002);(192.035,0.1001);(195.039,0.2002);(196.049,1.7017);(197.057,10.11011);(198.062,2.4024);(199.042,0.6006);(200.044,1.7017);(201.053,1.4014);(203.032,0.4004);(207.038,0.1001);(210.027,0.2002);(211.061,1.3013);(212.046,1.4014);(212.905,0.1001);(213.051,100.0);(213.26,0.1001);(213.402,0.1001);(214.057,22.02202);(214.127,0.1001);(215.062,2.1021);(216.038,5.2052);(217.044,0.6006);(224.043,3.7037);(225.051,10.61061);(226.058,3.1031);(227.036,1.5015);(228.037,0.9009);(229.082,19.01902);(230.085,2.2022);(231.084,0.1001);(235.035,0.1001);(239.068,0.2002);(240.048,0.2002);(240.076,0.1001);(241.046,43.54355);(242.053,76.17618);(242.243,0.1001);(242.368,0.1001);(243.057,8.50851);(244.063,0.2002);(252.038,4.6046);(253.046,36.03604);(254.048,4.7047);(255.056,0.5005);(256.033,0.3003);(256.069,0.1001);(257.074,0.5005);(261.068,0.1001);(267.065,0.3003);(269.04,57.05706);(269.217,0.1001);(270.046,33.03303);(271.051,3.9039);(274.042,0.6006);(285.071,15.21522);(286.074,2.1021)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(75.167694,0.055134);(81.20742,0.055106);(95.048599,0.087297);(100.137169,0.090864);(103.053665,0.14735);(107.048592,0.222604);(114.107971,0.053303);(118.041237,0.158037);(121.028091,0.327775);(123.043961,6.287445);(124.015373,0.772709);(124.488213,0.058699);(128.527054,0.059258);(131.049301,0.148154);(133.064774,0.083411);(139.038925,0.472659);(147.044022,0.127429);(149.023346,3.64122);(152.010361,8.578153);(153.018127,2.046803);(158.902298,0.061236);(163.038956,0.407461);(167.033646,0.296799);(170.020554,0.072097);(173.060394,0.125329);(179.033966,2.393032);(180.145142,0.081982);(180.583603,0.065558);(183.080063,0.092458);(187.074707,0.120736);(188.450394,0.08933);(192.042145,0.198396);(195.838531,0.08054);(197.060074,0.230227);(199.075195,0.111691);(201.054886,0.443755);(211.077209,0.108083);(215.070801,0.422288);(225.053085,0.10931);(229.086136,9.216972);(239.070541,0.140734);(242.057587,0.582123);(243.065231,0.113305);(252.041962,2.504517);(252.607941,0.06547);(253.049896,9.452243);(253.224182,0.080615);(255.065689,0.719887);(257.081177,1.725166);(259.827179,0.059705);(267.066376,0.169688);(269.045013,4.585631);(269.567535,0.095646);(269.858002,0.104174);(270.052826,17.753433);(271.057159,0.093233);(284.293427,0.083428);(285.075836,100.0);(285.603699,0.304353);(286.078857,9.375745)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(79.054626,0.104184);(80.396629,0.096021);(80.646858,0.097995);(81.370216,0.090609);(95.048729,0.202899);(103.053696,0.256812);(107.049088,0.540644);(118.040993,0.530196);(121.028206,0.724465);(122.274773,0.087487);(123.043831,16.108241);(124.015152,2.262937);(131.048798,0.433365);(133.064133,0.221257);(135.04454,0.173391);(139.038696,1.305974);(147.044159,0.422116);(149.023209,9.552374);(152.010178,22.834453);(153.017914,5.429655);(159.04425,0.21951);(161.098709,0.122282);(163.038757,0.997179);(165.015991,0.128428);(167.032944,0.638442);(169.064178,0.119879);(170.021103,0.245432);(173.059692,0.426641);(179.033585,6.084191);(183.079788,0.179178);(187.075714,0.313621);(192.041901,0.435583);(197.060013,0.669495);(199.074921,0.354579);(201.054688,1.163712);(211.075516,0.423968);(214.061249,0.123873);(215.069824,0.980452);(217.085159,0.134464);(225.053864,0.281913);(229.085831,23.475218);(239.070312,0.534872);(242.057465,1.531225);(243.06572,0.356229);(252.041718,7.122899);(252.604919,0.145931);(253.049515,24.453494);(255.065262,1.994746);(257.080627,3.915226);(261.7612,0.092858);(261.869904,0.100005);(267.065063,0.500199);(269.044586,11.605584);(269.563995,0.196178);(269.860046,0.274118);(270.052307,46.589301);(270.247955,0.156256);(271.055664,0.198401);(284.293365,0.111211);(284.543274,0.40158);(284.728546,0.270051);(284.866699,0.582237);(285.075531,100.0);(285.285645,0.410905);(285.606903,0.334037);(285.869934,0.147126);(286.078552,22.302995)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(76.268471,0.207325);(79.834549,0.180853);(91.583199,0.169229);(95.049026,0.537346);(96.019882,0.20651);(100.228333,0.222194);(103.053787,0.688239);(107.049034,1.008287);(110.143875,0.237871);(112.504944,0.186471);(118.0411,1.262369);(119.658684,0.201883);(121.028343,1.432405);(122.714119,0.162713);(123.043884,34.432395);(124.015198,4.738803);(131.048874,0.906122);(133.064285,0.30264);(135.043915,0.204276);(139.038956,2.40245);(147.044128,1.005482);(149.0233,20.932405);(150.90477,0.213921);(151.039719,0.347081);(151.805481,0.247343);(152.010239,48.198745);(153.017944,11.958504);(159.043427,0.484504);(163.038742,2.253585);(165.018616,0.213507);(167.033615,1.183865);(167.242722,0.187545);(168.579346,0.196263);(170.021667,0.587109);(173.059296,0.732022);(179.033752,13.742855);(183.080185,0.462246);(185.059738,0.505759);(187.075455,0.733011);(191.034103,0.354637);(192.041611,1.015578);(197.059631,1.611866);(199.075104,0.621154);(201.054291,2.450842);(211.075851,0.990013);(214.061523,0.260919);(214.840103,0.253261);(215.070175,2.361021);(217.083847,0.341285);(219.513931,0.175275);(220.565308,0.285706);(225.054321,0.79354);(226.062103,0.362834);(228.937332,0.303762);(229.085968,50.54224);(239.070389,1.158969);(242.057526,3.429055);(243.066559,0.795897);(252.041946,14.912105);(252.608414,0.287105);(252.873901,0.258676);(253.049622,52.990958);(255.065231,3.990528);(257.080719,8.263928);(267.065338,1.185767);(269.044617,24.718156);(269.564758,0.434845);(269.861603,0.551932);(270.052338,100.0);(270.541473,0.40042);(271.05481,0.353424);(284.48175,0.171069);(284.869781,0.26885);(285.075684,60.431417);(286.078949,31.692075)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(78.525024,0.21184);(81.552086,0.171184);(83.340561,0.236129);(88.703217,0.206386);(89.16925,0.188722);(91.083954,0.173076);(95.04837,0.370469);(100.768967,0.188463);(103.053955,0.644113);(107.04882,1.413544);(111.639328,0.229493);(111.947456,0.21295);(118.041054,1.117838);(121.028275,1.728632);(123.043846,34.49882);(124.015175,4.931132);(129.467697,0.211535);(131.048553,0.814886);(133.064484,0.33387);(135.043747,0.230173);(139.038971,2.707954);(140.703461,0.203816);(147.043716,0.865848);(149.023239,20.482268);(151.039001,0.319799);(152.010193,48.784322);(153.018021,11.466197);(159.043228,0.342022);(162.49646,0.18973);(163.039108,2.143227);(165.018906,0.199987);(167.033829,1.177835);(168.582947,0.177455);(169.064331,0.261498);(170.021317,0.554345);(173.058975,0.774986);(179.033722,13.660041);(183.079834,0.583847);(185.059921,0.320152);(187.075043,0.539499);(191.034531,0.309117);(192.041519,0.941762);(197.059525,1.458024);(199.074875,0.491875);(201.05452,2.765902);(209.3564,0.20955);(211.075348,0.730922);(213.055191,0.392314);(214.061539,0.343731);(215.070374,2.21975);(225.054214,0.79901);(226.05896,0.321202);(229.085876,50.923089);(230.089478,0.497726);(238.224167,0.196909);(239.070389,0.914315);(242.057831,3.328773);(243.065475,0.695921);(252.041718,14.368256);(252.873764,0.444809);(253.049515,51.549315);(253.490326,0.297332);(254.053329,0.598159);(255.065079,4.335264);(257.080658,9.011142);(267.064667,1.052251);(269.044525,24.906878);(269.565582,0.491912);(269.858154,0.473985);(270.052185,100.0);(270.540833,0.438195);(271.055115,1.479804);(276.059723,0.211104);(284.14975,0.193703);(286.07901,4.088494)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(123.0407,0.735643);(124.0115,0.616991);(152.0093,1.091599);(229.07,0.688182);(241.0442,0.878026);(253.0508,0.5458);(270.0522,1.70859);(285.0738,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(107.0501,1.71398);(118.0431,2.035351);(123.0409,1.339047);(123.0456,3.374397);(124.0171,1.606856);(149.0216,1.606856);(152.0077,13.015533);(153.0158,5.731119);(158.0327,1.231923);(179.0255,2.035351);(179.038,1.392608);(197.0534,2.30316);(213.0565,2.30316);(229.0823,7.873594);(241.0503,1.285485);(242.057,4.177825);(252.0385,1.499732);(253.0476,6.802357);(255.0644,1.44617);(269.0426,6.052491);(270.0492,13.926085);(270.0953,1.339047);(285.0725,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(103.0506,9.452736);(111.0103,7.711443);(115.0557,7.21393);(118.0391,40.79602);(121.0296,4.975124);(123.0433,17.661692);(124.0146,48.00995);(127.0556,7.711443);(130.0401,15.671642);(131.0468,10.199005);(133.064,8.208955);(141.0678,9.701493);(144.058,8.208955);(152.006,11.19403);(152.0131,21.641791);(153.0188,34.825871);(158.0363,28.855721);(158.077,10.945274);(168.0586,7.711443);(169.0664,5.970149);(171.0395,7.960199);(185.0616,17.164179);(186.0664,8.208955);(196.047,5.721393);(196.0565,4.975124);(197.0559,22.139303);(213.0529,100.0);(214.0628,10.447761);(216.0345,5.472637);(225.0492,12.189055);(229.0827,9.950249);(241.0473,37.810945);(242.0554,26.616915);(253.0447,18.905473);(269.0412,49.751244);(270.0551,7.960199)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(102.981031,0.717372);(106.981004,1.746837);(117.986325,0.567647);(120.993288,1.271542);(122.978914,31.432204);(123.961728,2.511403);(131.029494,0.752719);(138.997259,2.272687);(144.99593,0.835281);(147.005077,0.91588);(148.993623,16.547633);(150.022727,0.829484);(151.016792,0.556428);(151.977801,31.246279);(152.991878,10.91154);(159.029836,0.597686);(163.014824,1.876202);(167.011508,1.112132);(173.024193,0.673275);(179.020671,10.146864);(187.051209,0.507103);(189.033206,2.876226);(192.010329,0.755433);(197.064896,0.680294);(201.057267,2.286348);(207.001894,1.339132);(211.078403,0.786816);(213.041472,0.532966);(215.083399,1.802925);(225.099349,1.050165);(227.103156,0.639593);(228.13235,0.890976);(229.115361,39.239053);(230.122648,2.730728);(239.115482,1.161853);(242.07861,1.25218);(243.09524,0.984112);(245.500005,0.623593);(246.060148,2.436003);(252.07961,9.866001);(253.082458,38.454165);(254.093196,3.675163);(255.081373,3.999744);(256.104378,0.754184);(257.1007,14.73268);(258.105464,1.310202);(267.119976,1.608693);(268.104852,0.644166);(269.092865,17.211285);(270.071694,100.0);(271.081449,9.600362);(285.103719,2.0427)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(103.396827,0.537319);(107.417189,1.215572);(121.440316,0.769745);(123.413461,29.501953);(131.458133,0.685152);(139.432208,1.99779);(147.455613,0.875286);(149.426684,13.620588);(152.362294,34.250958);(153.333336,9.423212);(159.408522,0.591386);(163.395262,1.644003);(167.38996,1.150787);(173.446543,0.600876);(179.405477,10.202395);(187.436263,0.510736);(192.412987,0.778121);(197.449079,0.681574);(201.444409,2.269143);(211.460192,0.594015);(215.485807,1.828722);(225.484225,0.632576);(229.496845,58.23568);(239.469723,1.09547);(242.450344,1.512194);(243.444258,0.746357);(252.476752,11.723098);(253.425581,59.694774);(255.398111,4.842542);(257.406823,14.636263);(267.416962,1.332427);(269.416673,20.89386);(270.321991,100.0);(271.250006,1.00948);(285.351759,75.058459);(286.19583,80.88065)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(44.935104,0.520553);(45.440849,0.484653);(46.344227,0.610303);(46.570782,0.646204);(47.028278,0.233351);(47.062408,0.341052);(48.035469,0.466703);(49.396854,0.628253);(49.58588,0.484653);(49.705086,0.484653);(50.150902,0.646204);(50.471371,0.646204);(50.976009,0.664154);(51.193665,0.628253);(51.366123,0.574403);(51.733383,0.197451);(51.79496,1.077006);(51.888107,0.197451);(52.510761,0.556453);(53.812458,0.323102);(54.667034,0.592353);(54.681751,0.430802);(54.746529,0.323102);(54.803978,0.233351);(54.854088,0.394902);(55.47496,1.184707);(55.869987,0.646204);(56.136604,0.412852);(56.248501,0.520553);(56.279854,0.646204);(56.441231,0.646204);(56.992836,1.041106);(57.188339,1.023156);(57.693672,0.610303);(57.71484,0.628253);(57.820732,0.448752);(58.010067,0.538503);(58.079823,1.023156);(58.30909,1.615509);(58.619545,0.628253);(58.727791,0.574403);(59.076065,0.574403);(59.163296,0.359002);(59.954346,1.005206);(60.625053,1.005206);(60.670002,1.023156);(60.775467,0.574403);(61.464783,1.184707);(61.76944,0.664154);(62.046627,0.556453);(62.307148,0.502603);(62.349575,0.448752);(62.45649,0.646204);(62.583961,0.628253);(62.982956,1.112906);(63.738659,0.646204);(64.591614,0.394902);(64.634804,0.574403);(65.04509,0.574403);(65.885704,1.166756);(65.945496,0.359002);(66.163872,1.041106);(66.265907,0.610303);(66.299934,0.538503);(66.502663,0.448752);(66.569229,0.448752);(67.078484,0.305152);(67.127396,0.574403);(67.591309,0.484653);(68.071602,0.143601);(68.601387,0.251301);(68.886879,0.502603);(69.393295,0.610303);(70.053078,1.077006);(70.746109,0.538503);(70.896858,1.130856);(71.022598,0.610303);(71.506493,0.251301);(72.056221,0.556453);(72.243874,0.215401);(72.506325,0.466703);(72.821892,0.574403);(73.432915,0.161551);(73.72998,0.448752);(74.506195,0.628253);(75.093178,0.646204);(75.561302,0.628253);(75.644371,0.610303);(75.908592,0.251301);(76.406212,0.502603);(76.508896,0.520553);(76.925537,0.592353);(77.404587,0.394902);(77.488663,0.664154);(77.527626,0.574403);(77.671028,0.646204);(79.282486,0.323102);(79.823395,1.274457);(80.401108,0.664154);(80.463585,0.556453);(81.827957,0.646204);(81.954033,0.664154);(82.121689,1.148806);(82.166786,0.179501);(82.58226,0.556453);(83.425438,0.484653);(84.019127,0.520553);(84.035545,0.664154);(84.669853,1.148806);(84.746788,1.023156);(84.796265,0.592353);(85.014503,0.215401);(85.49231,0.394902);(85.759361,1.130856);(86.047127,0.646204);(86.254036,0.287202);(86.381622,0.574403);(86.653763,0.592353);(86.859535,0.520553);(87.143578,0.538503);(87.344353,0.592353);(87.623589,0.538503);(87.64222,0.646204);(88.076897,0.574403);(88.224525,0.394902);(88.508911,0.664154);(89.040955,1.579609);(89.122261,0.538503);(89.167366,0.592353);(89.377983,0.538503);(89.596382,0.538503);(89.622765,0.179501);(90.215378,0.394902);(90.491592,1.023156);(90.60144,0.197451);(90.62986,0.143601);(91.056679,0.664154);(91.106064,0.305152);(91.659729,0.412852);(91.964859,0.484653);(91.985855,0.143601);(92.025948,1.112906);(92.295357,0.502603);(93.169327,0.502603);(93.351929,0.538503);(93.727287,0.646204);(93.831367,0.556453);(94.161339,1.148806);(94.203827,0.412852);(95.080948,0.538503);(95.137238,0.646204);(95.2052,0.161551);(95.306206,0.269251);(95.450043,0.628253);(95.876366,0.448752);(96.573357,0.376952);(97.021782,1.023156);(97.159058,1.615509);(97.363197,0.538503);(98.54509,0.574403);(98.659721,1.059056);(98.800133,0.556453);(98.994102,0.646204);(99.795746,0.520553);(102.049522,2.261712);(102.506012,0.646204);(103.008377,0.628253);(103.055283,2.943816);(103.42897,0.682104);(103.461357,0.592353);(103.787552,0.484653);(103.935623,0.179501);(104.045227,0.430802);(104.063492,0.502603);(104.549309,0.628253);(105.067245,0.430802);(105.254631,1.220607);(105.972565,1.005206);(106.411476,0.143601);(106.540855,0.556453);(107.009766,0.538503);(107.0839,1.202657);(107.347687,0.610303);(107.845238,0.610303);(109.026581,0.520553);(109.469681,0.484653);(109.669685,0.556453);(109.688446,0.305152);(110.001343,1.112906);(110.080681,0.269251);(110.160042,0.520553);(110.231079,1.130856);(110.343948,0.520553);(110.362762,0.628253);(111.006409,2.854066);(111.037056,0.628253);(111.328766,0.376952);(112.012314,1.130856);(112.039696,0.610303);(112.316223,0.502603);(112.757126,0.484653);(113.812073,0.628253);(113.937378,0.628253);(114.460594,1.220607);(114.50106,0.466703);(114.754639,0.412852);(114.974342,1.041106);(115.031975,0.448752);(115.053146,2.943816);(115.204941,0.592353);(115.673256,0.574403);(115.808151,0.664154);(115.932411,0.574403);(116.035301,1.059056);(117.26487,1.184707);(117.29892,1.059056);(117.435204,0.251301);(117.53875,1.148806);(117.946922,0.520553);(118.041656,12.79842);(118.203018,0.430802);(118.262718,0.251301);(119.049316,1.274457);(119.397415,0.323102);(119.652,0.394902);(119.93737,1.077006);(120.199074,0.161551);(120.360603,0.359002);(120.526611,1.202657);(121.029747,2.638665);(121.202728,0.646204);(121.334236,0.466703);(122.584885,1.041106);(122.659821,0.125651);(123.046181,3.66182);(123.631622,1.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1006.142822,0.359002);(1021.275024,0.305152);(1029.930786,0.430802);(1033.2229,0.610303);(1038.18042,0.341052);(1046.591919,0.610303);(1046.74646,1.059056);(1053.932007,1.112906);(1055.276367,0.394902);(1080.707642,0.502603);(1081.067627,0.574403);(1094.491455,0.484653);(1103.446289,0.412852);(1105.859253,0.215401);(1125.009644,0.682104);(1158.642212,0.628253);(1164.271973,0.233351);(1171.386353,0.269251);(1173.642212,0.143601);(1174.508301,1.633459);(1183.488037,1.094956);(1188.422974,1.166756);(1190.928711,0.610303);(1199.653809,0.592353);(1204.228638,0.610303);(1210.944336,0.197451);(1212.801147,0.484653);(1217.630127,0.556453);(1218.963867,1.041106);(1232.377075,0.376952);(1235.355347,0.610303);(1235.936035,0.484653);(1237.321777,0.556453);(1242.030884,0.251301);(1250.715698,0.341052);(1251.109863,0.520553);(1253.701904,0.664154);(1258.526733,0.592353);(1270.196777,1.112906);(1279.349365,0.592353);(1279.449097,0.574403);(1281.336304,0.628253);(1286.913696,0.520553);(1287.592041,0.682104);(1294.836792,0.466703);(1297.703125,0.394902);(1307.033325,0.592353);(1308.393677,0.466703);(1314.541748,1.310357);(1317.588745,0.376952);(1331.728638,0.664154);(1335.10083,0.646204);(1346.03894,0.466703);(1355.08667,0.592353);(1359.251343,1.094956);(1368.09314,0.430802);(1375.560547,0.682104);(1377.642944,0.592353);(1377.968018,0.394902);(1378.751343,0.161551);(1379.143066,0.430802);(1382.796753,1.005206);(1385.417969,0.574403);(1385.736572,0.646204);(1386.410889,0.215401);(1397.668335,0.233351);(1399.402466,0.412852);(1405.686035,0.664154);(1425.297119,0.412852);(1441.996704,0.466703);(1452.30896,1.023156);(1461.135864,0.412852);(1464.233887,0.430802);(1467.106445,0.646204);(1467.190308,0.179501);(1473.265015,0.502603);(1487.577515,0.610303);(1501.481079,0.664154);(1501.735596,0.610303)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(70.000038,0.073662);(72.451622,0.08881);(73.497818,0.095344);(73.808128,0.051979);(73.956703,0.076632);(77.035706,0.05881);(77.125824,0.075147);(78.004921,0.051979);(78.019974,0.056731);(78.6987,0.062672);(79.010635,0.03891);(79.053886,0.551868);(80.057961,0.089107);(82.038177,0.046038);(83.011185,0.120294);(83.055008,0.04693);(84.086983,0.054355);(84.954407,0.057028);(89.037895,0.605035);(90.013359,0.035643);(90.045563,1.390065);(91.05114,0.518601);(92.024078,0.142571);(92.060257,0.090889);(93.374931,0.046633);(94.042526,0.053761);(94.475975,0.031187);(94.684067,0.092671);(95.012917,0.393555);(95.048241,0.162471);(95.835632,0.069503);(96.02021,0.834336);(96.054352,0.091483);(96.933609,0.092374);(97.028091,0.031187);(99.51857,0.02198);(99.820709,0.017524);(101.03595,0.048712);(102.029633,0.070394);(102.046188,0.352566);(103.024887,0.07782);(103.052567,0.632658);(104.024559,0.298804);(104.061935,0.128908);(104.971611,0.027623);(105.043205,0.477315);(105.06768,0.207916);(106.045036,0.103067);(107.031204,0.026435);(107.049171,0.256033);(108.020615,0.404544);(108.380081,0.081978);(110.134712,0.036237);(111.007996,0.465434);(111.039665,0.048415);(111.276581,0.03594);(112.008324,0.129799);(112.203499,0.072176);(112.798889,0.028811);(112.814575,0.0499);(113.143326,0.046335);(114.686623,0.081087);(114.996216,0.0199);(115.053116,0.488899);(115.264481,0.032375);(116.024948,0.051088);(116.059776,0.059404);(116.267746,0.091186);(117.030464,0.203163);(117.072311,0.082572);(117.945854,0.058513);(117.967209,0.049603);(118.041206,4.370981);(118.11438,0.016633);(119.047028,0.465137);(119.559402,0.025544);(120.873863,0.025841);(121.02813,0.854236);(121.065292,0.368605);(122.035698,0.032672);(122.062881,0.054652);(122.112961,0.132769);(123.007164,0.1197);(123.04425,1.244227);(123.088234,0.037722);(124.014862,4.734239);(125.019096,0.278607);(126.029175,0.118512);(127.054428,0.11673);(128.010696,0.065939);(128.063766,0.334744);(129.040054,0.103958);(129.070114,0.818297);(130.041779,0.836712);(130.075348,0.041583);(130.682236,0.025841);(131.04834,0.918987);(131.088791,0.08079);(132.017731,0.209995);(132.055527,0.356427);(132.917801,0.016336);(132.998505,0.052573);(133.064407,1.888765);(133.440567,0.029702);(134.035431,0.34811);(134.067566,0.228113);(134.571365,0.068315);(135.004379,0.066236);(135.043503,0.189203);(136.016251,0.05881);(136.73439,0.104255);(137.022675,0.357615);(139.040207,0.341279);(140.061737,0.523056);(141.041031,0.059107);(141.069565,0.918393);(142.04567,0.097423);(142.071518,0.11168);(143.049637,0.329101);(143.083145,0.046038);(144.021484,0.048118);(144.056183,0.354348);(144.267044,0.036831);(145.029175,0.153264);(145.063766,1.20799);(146.070877,0.220985);(146.208771,0.047227);(146.276154,0.015148);(147.023758,0.126532);(147.04567,0.12267);(147.076462,0.242667);(148.0345,0.03891);(148.049362,0.05584);(149.023132,2.00995);(149.056702,0.124155);(149.817307,0.067424);(150.002411,0.053167);(150.023163,0.126234);(151.032043,0.078711);(151.164139,0.021089);(151.953003,0.056434);(152.010162,5.600653);(152.060883,0.177916);(152.225067,0.026435);(152.247375,0.020198);(152.646454,0.040098);(152.712753,0.029999);(153.017639,5.826093);(153.069885,0.054355);(153.129776,0.039801);(153.165375,0.019009);(153.195206,0.025247);(153.341431,0.043662);(153.50322,0.027029);(153.851395,0.029702);(153.969696,0.027326);(154.020828,0.440781);(154.058609,0.06683);(154.772903,0.040395);(155.021942,0.100691);(155.059357,0.278904);(155.089005,0.104849);(156.055939,0.110195);(157.028366,0.383753);(157.064362,1.160466);(157.685043,0.049009);(158.036087,4.138412);(158.06958,0.408406);(158.783463,0.049603);(159.041245,0.687607);(159.080811,0.143165);(159.177765,0.069503);(160.055084,0.196035);(160.377716,0.054355);(161.007141,0.042177);(161.060104,0.09475);(161.096008,0.089998);(162.03299,0.173164);(162.095673,0.035643);(163.016205,0.066533);(163.042267,0.100691);(163.273132,0.021089);(163.393463,0.065345);(164.041321,0.020792);(164.235504,0.10871);(164.389725,0.119997);(165.013077,0.046633);(165.067093,0.06683);(166.454742,0.047227);(166.704834,0.06683);(167.038025,0.185045);(167.841888,0.056731);(168.012924,0.026138);(168.057327,1.791045);(168.375854,0.018712);(168.740295,0.029702);(168.966354,0.043365);(169.027573,0.085839);(169.064026,1.412935);(169.12645,0.040692);(169.640244,0.035643);(169.897659,0.109304);(170.020737,3.544962);(170.066101,0.253063);(170.310104,0.032672);(170.390274,0.062672);(170.413025,0.032078);(171.04483,0.866117);(171.08165,0.142571);(171.797363,0.040098);(172.016937,0.037425);(172.049713,0.219797);(173.058426,0.430682);(174.062027,0.092374);(174.312149,0.039801);(175.039551,0.052276);(175.069489,0.064751);(175.347046,0.036237);(176.045074,0.208213);(177.019714,0.04188);(177.059326,0.069503);(179.033188,0.750278);(179.154266,0.104255);(181.06398,0.136036);(181.133972,0.092077);(181.55957,0.039207);(182.030151,0.035346);(183.046768,0.141977);(183.078751,0.219202);(183.60788,0.096532);(184.052124,0.4289);(184.950623,0.070394);(185.059982,2.044108);(185.159988,0.047524);(185.928574,0.068315);(186.023987,0.096532);(186.067261,2.028366);(186.445068,0.045147);(186.541595,0.019306);(186.984467,0.017821);(187.041336,0.21148);(187.076385,0.471969);(187.453827,0.065048);(187.609573,0.044553);(188.046463,0.137224);(188.379623,0.020495);(189.422867,0.083166);(193.063141,0.050197);(194.088608,0.06089);(194.947418,0.088216);(195.050568,0.082572);(196.05127,1.007797);(196.408432,0.029999);(197.003723,0.015742);(197.058701,2.476572);(197.288849,0.043068);(198.033005,0.052276);(198.062546,0.732754);(199.03981,0.273855);(199.073425,0.09475);(199.705521,0.033564);(199.820068,0.018415);(200.047195,0.720873);(201.053909,0.362367);(201.093979,0.106037);(202.027466,0.041583);(202.06076,0.05881);(203.031784,0.193956);(203.086533,0.056434);(203.430145,0.049603);(204.647964,0.068909);(206.392288,0.046038);(208.033295,0.023465);(208.053665,0.033861);(208.642792,0.049306);(209.4664,0.028217);(209.777359,0.033564);(210.121048,0.069206);(211.041275,0.379298);(211.074356,0.25039);(212.046906,0.228707);(213.054443,19.385758);(213.633591,0.023465);(213.788162,0.036534);(214.059784,4.012178);(214.185486,0.036534);(214.406952,0.021683);(215.064301,0.524541);(215.535812,0.046038);(215.791885,0.100394);(215.861176,0.046335);(215.886612,0.084057);(216.041229,1.130764);(216.079559,0.057028);(216.139877,0.103958);(216.461746,0.087919);(216.562973,0.036534);(217.044006,0.181778);(217.079086,0.055543);(223.03067,0.048415);(224.045258,0.364743);(225.013596,0.050197);(225.053558,1.313433);(225.545685,0.036237);(225.67247,0.019009);(225.79747,0.033861);(226.003616,0.070097);(226.060013,0.344546);(227.031647,0.273261);(227.069107,0.134254);(227.265457,0.016633);(227.68335,0.034158);(227.938965,0.057919);(228.042877,0.056731);(229.085159,5.650256);(230.059586,0.107225);(230.088333,0.462167);(231.666016,0.033861);(231.804672,0.017821);(234.919815,0.059404);(235.043213,0.051682);(236.052826,0.065048);(237.06015,0.048118);(238.065247,0.082572);(238.802322,0.059701);(240.417892,0.048712);(240.579453,0.037128);(240.844666,0.100394);(240.876251,0.128611);(241.048157,5.790451);(241.439056,0.024059);(241.664688,0.042474);(241.740082,0.040098);(241.89299,0.050791);(242.007065,0.146135);(242.057297,11.495953);(242.313812,0.021683);(242.353333,0.035643);(242.467865,0.093265);(242.521378,0.03089);(242.825317,0.077226);(243.00267,0.043365);(243.059067,1.71768);(244.078201,0.087919);(244.830627,0.025841);(244.893906,0.039504);(246.029999,0.082572);(249.087082,0.088216);(249.514633,0.070394);(251.597885,0.03891);(251.660675,0.024653);(251.699738,0.022277);(252.044693,1.307789);(252.140228,0.027029);(252.957184,0.054652);(252.988266,0.156234);(253.048965,5.538873);(253.342117,0.040395);(253.501846,0.040395);(253.61174,0.018118);(254.051407,0.845326);(254.832672,0.084651);(255.02829,0.070097);(255.064392,0.266726);(256.078003,0.039207);(256.731934,0.035643);(257.084412,0.408703);(257.14801,0.019009);(257.343384,0.046335);(266.059387,0.056731);(267.0625,0.287815);(268.042847,0.117324);(268.595398,0.085245);(268.980621,0.032078);(269.043793,5.905992);(269.242401,0.061187);(269.509979,0.025544);(269.802551,0.050494);(270.002136,0.063266);(270.051727,10.187867);(270.258972,0.020198);(270.290009,0.037425);(270.721375,0.030296);(271.056,1.411747);(272.415955,0.05881);(273.082367,0.022277);(274.049438,0.079008);(275.388702,0.065048);(282.006531,0.019306);(282.642944,0.035643);(283.800171,0.050494);(283.922394,0.042474);(284.03244,0.026732);(284.177429,0.051682);(284.279053,0.018712);(284.579559,0.038019);(284.767792,0.083166);(284.836212,0.139006);(284.88266,0.068018);(284.921814,0.066236);(284.985077,0.364743);(285.075958,100.0);(285.180542,0.024059);(285.286896,0.055543);(285.362366,0.059404);(285.562805,0.030593);(285.699036,0.03891);(285.719696,0.052276);(285.78772,0.073959);(285.897614,0.028811);(285.956177,0.045147);(285.978241,0.06683);(286.079437,11.38457);(286.357025,0.027623);(286.728302,0.029999);(286.984741,0.028514);(287.0802,0.118809);(287.717499,0.021089);(287.83313,0.057028);(287.948517,0.023465);(288.071808,0.043068);(288.163452,0.037425);(288.201172,0.038613);(288.233368,0.058216);(288.998383,0.028217);(289.035919,0.048415);(295.430634,0.016633);(296.47406,0.018415);(298.528961,0.039801);(298.914825,0.027326);(301.833679,0.040692);(302.114166,0.023168);(302.911224,0.04188);(306.512482,0.01693);(386.252319,0.020792);(505.324738,0.017227);(642.684204,0.022277);(1387.648682,0.062375);(1478.669434,0.036534);(1785.64563,0.036534);(1860.694092,0.059701);(1959.334961,0.073067)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(123.0441,1.260105686);(139.039,0.4832663385);(149.0235,2.899598031);(152.0105,5.663700827);(153.0183,1.567228219);(163.039,0.4652003071);(179.0339,1.987263448);(215.0711,0.4110022131);(229.0859,12.2758683);(252.042,2.877015492);(253.0498,15.13481776);(255.0653,1.2104241);(257.0811,4.475859266);(269.0449,4.123571654);(285.0758,45.16507836)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(123.0153,8.50211173);(148.9942,4.153868305);(151.9637,8.814071799);(153.1006,3.568343252);(163.0046,0.7655020157);(179.0863,2.651660587);(229.1332,10.80821655);(243.1056,0.6191207525);(252.2143,3.467556153);(253.1321,11.98646573);(255.2047,1.288635055);(257.1625,2.920426185);(269.0578,4.856978307);(270.0887,23.99692839);(285.1714,11.60011519)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(268.0368,16.0);(269.04041,2.9);(283.05972,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.0441,2.16);(149.0237,2.18);(152.0104,5.56);(153.018,1.42);(229.0862,4.75);(242.0574,2.35);(253.0499,3.44);(269.0444,2.51);(270.0526,8.18);(285.0762,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(285.0763,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(104.02506,1.9);(132.02113,4.6);(135.00816,1.3);(151.0036,1.3);(167.0493,3.9);(183.04472,1.7);(184.04759,1.2);(195.04465,4.5);(196.05254,2.6);(210.03113,1.2);(211.03922,12.3);(212.03967,1.2);(223.03877,3.3);(224.04814,4.6);(226.02559,1.9);(239.03525,10.2);(240.03856,5.8);(267.02979,17.0);(268.03671,76.7);(269.04089,16.2);(270.04276,1.5);(283.06,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02056,2.8);(67.02094,1.5);(69.00146,1.2);(77.03783,4.3);(78.01032,5.3);(80.00108,1.2);(83.01048,1.4);(85.00787,2.2);(89.03876,9.8);(90.04648,26.7);(91.05658,6.7);(92.03051,1.8);(93.02408,1.5);(95.01308,1.4);(96.01947,15.9);(97.02811,2.0);(102.04623,16.2);(103.0534,8.5);(104.05553,1.1);(105.03374,4.2);(106.03947,1.7);(107.04742,3.0);(108.02,3.7);(109.06396,2.0);(111.01044,3.3);(114.0507,2.2);(115.05508,32.6);(116.05972,11.1);(116.9362,1.4);(118.04574,9.1);(119.03933,1.7);(120.05247,1.4);(121.02617,2.6);(122.02275,1.7);(123.04605,2.6);(124.01586,22.2);(125.65406,2.2);(127.05521,13.3);(128.06564,9.9);(129.0677,13.6);(130.03929,18.7);(131.04637,8.0);(132.0578,2.2);(134.03465,2.3);(135.04573,2.9);(136.04904,1.8);(137.02219,1.7);(138.0462,2.0);(139.05295,22.5);(140.06265,5.0);(141.06938,22.7);(142.03798,2.4);(143.04443,14.7);(144.0544,5.0);(145.05759,13.1);(146.06787,2.1);(147.04645,2.9);(149.02711,1.6);(150.06378,2.2);(151.05684,3.3);(152.00772,8.5);(153.01628,28.9);(154.01248,3.7);(155.04787,2.6);(156.056,1.8);(157.06427,17.0);(158.07129,5.6);(159.03726,3.5);(160.04976,2.6);(161.10237,1.2);(162.0558,1.2);(165.07423,1.7);(167.04218,3.2);(168.06081,7.5);(169.06218,9.0);(171.04367,15.4);(172.05202,3.4);(173.02432,1.2);(174.06754,1.5);(175.03899,2.9);(177.0145,1.6);(182.08,2.9);(183.04713,5.6);(184.05211,10.1);(185.06367,19.7);(186.06467,1.9);(187.03482,4.5);(192.04231,1.6);(193.19667,2.4);(195.04396,5.6);(196.05309,3.7);(197.05658,9.6);(198.06265,1.3);(199.03839,2.0);(200.04861,5.0);(201.05365,2.4);(203.0345,1.5);(205.12245,1.8);(212.05276,6.6);(213.05289,100.0);(214.06345,15.5);(215.05284,3.6);(216.04076,5.9);(225.05815,8.6);(241.05754,10.8);(242.04172,4.6);(243.06725,1.4);(252.04703,1.5);(253.06354,1.5);(254.05228,3.7);(269.03937,4.8);(270.04099,1.6)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(83.01274,1.3);(91.01623,1.9);(104.02418,5.8);(107.01221,2.7);(130.04018,1.1);(132.01973,37.9);(133.02661,2.1);(134.03479,4.5);(135.0071,9.9);(142.04053,1.7);(143.04648,1.3);(144.04999,1.6);(151.00166,3.3);(154.04274,4.0);(155.04869,1.6);(156.05711,2.1);(167.0489,11.5);(168.04782,2.3);(172.04953,1.4);(179.0484,2.4);(180.05513,2.5);(183.0433,7.6);(184.05208,9.4);(195.04326,27.2);(196.05014,11.0);(197.05736,1.8);(198.03574,1.4);(199.03035,1.1);(211.03777,74.7);(212.04346,22.5);(213.04193,2.5);(222.03268,1.3);(223.03738,29.1);(224.04494,13.6);(225.04633,2.2);(226.02348,12.8);(227.02429,1.5);(239.03209,89.3);(240.03882,29.3);(241.04286,4.5);(250.02708,1.2);(267.02704,100.0);(268.03568,84.0);(269.03668,15.6);(270.03778,2.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(61.397,1.8);(63.02433,9.3);(64.99972,2.1);(84.72118,2.2);(88.9985,5.0);(91.021,2.0);(92.02315,5.7);(93.02628,2.0);(96.08093,1.8);(100.03353,2.4);(102.0481,3.3);(104.02753,26.9);(105.02989,5.4);(106.04067,3.6);(107.01303,6.2);(112.88477,2.1);(116.0249,3.3);(117.0302,7.0);(118.00932,3.4);(119.04777,1.8);(121.0342,3.4);(126.04647,3.5);(127.05433,6.7);(128.02794,2.6);(129.03871,3.9);(130.04088,2.4);(132.02025,41.9);(133.02409,7.1);(134.03699,1.8);(139.05075,6.6);(140.05647,2.1);(141.03459,29.6);(142.0406,6.9);(143.04361,3.8);(144.05214,2.0);(145.02899,3.1);(146.99887,2.5);(148.01277,2.2);(151.0043,3.9);(153.02975,1.9);(154.03577,5.3);(155.04997,34.8);(156.05113,5.6);(166.0442,4.1);(167.05032,89.2);(168.04341,3.6);(169.02539,15.0);(172.05318,2.9);(179.60416,2.2);(181.03725,4.2);(182.03781,21.4);(183.04236,61.9);(184.04056,13.7);(189.0145,1.8);(195.04907,20.0);(196.04842,5.5);(197.02673,5.2);(210.03349,24.6);(211.03918,100.0);(212.03992,9.1);(213.041,4.4);(214.02242,2.6);(216.42455,1.8);(223.03743,4.3);(239.02454,2.2);(240.04422,2.5);(266.01315,2.0);(267.0275,7.5);(268.01871,4.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(118.04123,1.52);(123.04208,1.04);(124.01398,1.29);(149.02336,1.25);(152.00941,4.67);(153.01529,1.38);(158.03528,1.66);(179.03516,1.13);(197.06007,1.5);(213.0518,5.24);(214.06012,1.42);(229.08853,2.28);(241.05389,1.55);(242.05615,4.69);(253.047,3.47);(269.04651,3.73);(270.0542,4.84);(285.07523,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(285.0756,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(267.0301,1.02);(268.0376,22.53);(283.0612,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(90.04825,4.5);(96.01478,2.8);(97.03315,1.4);(103.05769,2.3);(105.07036,8.2);(107.05138,5.5);(108.05002,2.1);(111.00647,2.6);(116.05541,1.7);(117.06772,1.9);(118.04008,23.5);(119.04776,4.2);(121.02832,12.3);(123.04219,14.0);(124.01442,38.6);(131.0498,4.4);(132.05914,3.3);(133.06334,20.7);(134.06554,1.7);(135.04616,1.5);(139.03587,4.7);(141.0658,1.7);(144.05229,1.4);(145.06862,4.7);(147.05045,1.7);(149.02249,42.6);(150.03366,1.5);(152.01004,89.3);(153.0181,38.6);(154.02362,3.8);(155.05406,2.8);(157.06712,1.4);(158.03677,26.9);(159.03574,2.6);(161.06169,4.2);(163.04147,2.7);(165.05905,1.2);(168.0546,7.2);(169.06097,3.8);(171.0472,1.9);(172.01654,1.3);(173.05971,2.9);(174.05748,1.1);(176.52196,1.4);(179.03641,11.2);(183.03932,3.8);(184.04962,2.1);(185.05838,4.8);(186.0703,9.5);(187.07567,3.3);(188.06686,1.2);(196.05034,3.4);(197.05739,20.2);(198.06483,3.8);(199.07382,1.7);(200.04593,1.3);(201.05521,2.2);(202.0535,1.9);(210.07689,1.5);(211.04561,2.2);(213.05418,72.0);(214.06259,22.4);(215.06323,7.9);(216.04143,1.7);(224.04437,1.3);(225.05566,6.9);(226.06776,2.2);(227.0461,1.5);(229.08499,56.6);(230.08667,7.4);(241.04915,22.5);(242.05801,90.8);(243.06297,16.3);(244.06473,1.5);(252.04147,6.0);(253.04839,56.0);(254.05499,18.6);(255.0591,1.9);(259.08533,1.7);(266.87781,1.5);(269.0452,90.4);(270.05121,100.0);(271.05725,14.3);(272.06494,1.4);(285.07672,69.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.044,6.29);(149.0233,3.64);(152.0104,8.58);(153.0181,2.05);(179.034,2.39);(229.0861,9.22);(252.042,2.5);(253.0499,9.45);(257.0812,1.73);(269.045,4.59);(270.0528,17.75);(285.0758,100.0);(286.0789,9.38)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.04419,1.5);(124.01253,1.9);(149.02475,2.1);(152.01038,6.1);(153.01622,2.3);(158.03659,1.4);(213.05406,5.9);(214.05586,1.1);(229.0836,2.4);(241.05038,2.2);(242.0553,3.9);(253.04622,1.6);(269.04456,4.3);(270.04874,5.0);(285.0769,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0022,1.17);(53.0386,3.21);(55.0179,3.56);(63.0229,1.12);(65.0385,5.98);(66.0463,7.88);(67.0178,8.79);(68.0256,4.93);(68.997,33.21);(77.0383,1.5);(78.0099,3.21);(79.0542,11.25);(81.0334,1.56);(83.0128,1.03);(89.0386,21.04);(90.0464,46.98);(91.0543,6.08);(92.0256,2.21);(95.0491,10.66);(96.0206,4.27);(97.0284,2.11);(102.0464,9.27);(103.0542,11.84);(105.0699,2.73);(107.0492,1.31);(111.0076,5.04);(115.0542,17.78);(116.062,3.22);(117.0334,7.9);(118.0413,33.46);(119.0491,2.23);(121.0284,9.03);(123.044,4.59);(124.0155,48.18);(126.0312,3.2);(127.0541,1.28);(128.062,6.94);(129.0698,8.52);(130.0414,4.55);(131.0492,7.8);(132.0569,2.37);(133.0647,7.13);(135.0439,1.61);(137.0232,2.06);(139.0541,6.54);(140.062,5.46);(141.0698,11.89);(143.0491,4.61);(144.0569,4.03);(145.0648,7.91);(147.0441,1.71);(149.0233,3.8);(152.0619,3.77);(153.0182,23.69);(155.0492,4.02);(157.0648,11.12);(158.0362,16.13);(159.044,2.13);(160.0518,2.01);(168.057,11.94);(169.0647,7.11);(170.021,10.26);(171.044,15.0);(173.0595,1.4);(175.039,1.11);(176.0466,1.1);(179.0491,1.05);(183.0441,2.34);(184.0518,4.79);(185.0597,25.19);(186.0676,5.31);(187.0394,1.14);(195.0441,1.65);(196.0518,1.93);(197.0597,18.06);(199.0389,3.03);(200.0469,1.73);(201.0545,1.06);(211.0387,1.09);(213.0546,100.0);(214.0621,3.53);(216.0416,5.59);(224.0465,1.63);(225.0547,5.42);(227.0337,2.11);(241.0495,31.44);(242.0573,5.43);(253.0494,6.85);(269.0444,12.49)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.0184,1.01);(65.0403,1.14);(67.0191,4.7);(68.9979,9.8);(77.0392,7.22);(78.011,1.09);(79.0547,5.04);(89.0393,3.72);(90.0469,18.73);(91.0551,2.29);(95.0126,2.16);(96.0213,8.15);(102.0454,2.16);(103.0545,6.44);(105.0701,4.76);(107.05,1.84);(108.0193,1.4);(111.0084,4.88);(115.054,5.41);(116.0613,1.04);(118.0415,29.18);(119.0493,1.45);(121.0286,7.11);(123.0442,10.59);(124.0156,40.7);(127.0545,1.35);(128.0618,2.5);(129.0688,2.33);(130.0414,6.23);(131.0479,3.12);(132.0555,2.72);(133.0647,11.0);(136.0153,1.28);(139.0517,1.53);(140.0624,1.78);(141.0696,6.0);(144.0561,3.22);(145.0656,3.69);(149.0234,10.7);(152.0106,37.77);(153.0186,25.95);(155.0487,1.94);(157.0649,2.39);(158.0374,27.17);(159.0427,1.27);(160.0506,1.13);(167.0462,1.03);(168.0566,8.52);(169.0645,4.52);(171.0448,3.76);(172.0501,1.36);(173.0597,1.27);(179.0351,2.1);(183.0443,1.29);(184.0489,1.8);(185.0598,11.37);(186.0673,8.18);(187.0731,1.01);(196.0509,3.97);(197.0597,18.34);(199.0386,1.22);(200.0456,2.52);(201.0541,1.19);(211.0706,1.14);(213.0547,100.0);(214.0623,10.59);(216.0418,5.55);(224.0463,3.08);(225.0542,9.26);(226.062,1.4);(227.0342,1.54);(229.0855,9.66);(241.0497,35.29);(242.0574,38.56);(252.0404,2.37);(253.0497,19.97);(269.0447,37.04);(270.0521,9.45);(285.0759,4.25)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.02057,7.1);(167.05019,3.3);(183.04398,2.0);(184.04962,1.9);(195.04387,4.4);(196.04921,1.8);(210.03055,1.2);(211.03838,13.0);(212.04829,3.1);(223.03572,4.3);(224.04352,3.9);(226.02522,2.2);(239.0336,13.8);(240.03931,5.3);(267.02805,16.6);(268.03552,84.3);(269.0408,13.6);(270.04407,1.4);(283.05887,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(270.0521,1.36);(285.0757,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0491,1.33);(118.0413,2.66);(123.044,7.76);(133.0647,1.69);(149.0233,7.75);(152.0104,4.24);(153.0182,4.64);(170.0209,14.4);(179.0339,2.67);(184.0367,1.14);(213.0546,1.36);(229.086,14.15);(242.0573,7.35);(252.0416,1.85);(253.0495,9.99);(257.0808,1.19);(269.0444,6.93);(270.0522,24.17);(285.0757,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(268.03653,16.4);(269.04034,3.1);(283.06024,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.01924,3.2);(135.00613,2.0);(167.04736,3.3);(183.04587,2.0);(184.05101,1.4);(195.04213,3.9);(196.04916,2.1);(211.03738,12.1);(212.04581,3.4);(223.03979,3.3);(224.04468,2.5);(226.02463,1.7);(239.03253,11.3);(240.04028,7.3);(267.02823,14.4);(268.03516,75.5);(269.03928,12.3);(283.05917,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(152.0093,1.09);(270.0522,1.71);(285.0738,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(104.027,12.46);(105.0356,1.91);(107.0154,3.16);(117.0342,1.03);(130.0408,1.75);(132.021,56.73);(132.0536,1.32);(132.0744,1.14);(132.1291,1.05);(134.0377,5.18);(135.0065,10.22);(142.044,3.77);(143.0534,1.36);(147.0048,1.64);(151.0019,6.14);(154.0399,6.95);(155.0479,2.5);(156.0579,1.8);(166.0401,2.68);(167.0489,17.3);(168.0573,1.1);(170.0397,2.54);(171.0452,2.08);(178.0408,1.38);(179.0495,3.73);(180.0563,3.29);(182.0372,2.92);(183.0434,12.92);(184.0521,10.72);(194.0368,1.93);(195.0447,25.92);(195.0913,1.16);(196.0519,9.56);(197.0239,3.16);(198.0349,3.75);(199.0459,2.15);(210.0319,2.39);(211.0398,100.0);(211.0857,3.66);(211.1319,1.05);(211.1746,1.21);(212.0479,7.02);(223.04,25.5);(224.0486,7.08);(226.0262,7.06);(239.0347,98.97);(239.0812,4.32);(240.0424,14.93);(240.1063,1.01);(250.0245,1.51);(251.0388,1.6);(267.0297,93.11);(267.0878,1.45);(267.1349,1.03);(267.1822,1.1);(268.036,31.58)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0488,1.41);(118.0411,1.12);(121.0283,1.73);(123.0438,34.5);(124.0152,4.93);(139.039,2.71);(149.0232,20.48);(152.0102,48.78);(153.018,11.47);(163.0391,2.14);(167.0338,1.18);(179.0337,13.66);(197.0595,1.46);(201.0545,2.77);(215.0704,2.22);(229.0859,50.92);(242.0578,3.33);(252.0417,14.37);(253.0495,51.55);(255.0651,4.34);(257.0807,9.01);(267.0647,1.05);(269.0445,24.91);(270.0522,100.0);(271.0551,1.48);(286.079,4.09)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(268.03708,14.7);(269.0412,2.7);(283.06033,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(239.0427,1.6);(267.0418,2.4);(268.0466,100.0);(269.0494,12.71);(270.05,1.3);(283.0704,95.3);(284.0724,11.81);(285.0734,1.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.0578,1.1);(79.05589,1.2);(90.04449,5.51);(95.01153,1.9);(96.01833,3.7);(102.04771,1.2);(103.05712,3.7);(105.06828,2.4);(108.04146,1.0);(111.04407,2.4);(115.05135,2.8);(117.07167,1.0);(118.04207,24.32);(119.04012,2.7);(121.02648,7.61);(123.04081,13.51);(124.01768,19.92);(125.02855,2.0);(130.03621,4.5);(131.05154,3.0);(132.05421,2.0);(133.06256,9.91);(135.04648,1.3);(136.01595,1.4);(139.03775,3.4);(141.06885,4.7);(143.05034,1.5);(144.0513,2.0);(145.06535,4.6);(146.07463,2.3);(148.04839,1.0);(149.02396,22.02);(150.00848,1.7);(152.01073,100.0);(153.01631,50.05);(154.02481,1.5);(155.05009,1.0);(157.06267,2.1);(158.03664,26.83);(159.04175,2.1);(161.08971,2.6);(168.06161,6.71);(169.05682,4.6);(172.04474,1.8);(173.06398,2.8);(178.35648,1.1);(179.03661,10.01);(180.0361,1.8);(183.05618,1.8);(184.05899,1.4);(185.05522,3.6);(186.0715,7.11);(191.03194,1.3);(196.0471,2.1);(197.05875,22.02);(198.06335,3.5);(199.07208,1.1);(200.04672,1.8);(201.05443,3.7);(202.06433,1.1);(210.02596,1.3);(211.0367,3.9);(213.05843,45.25);(214.06335,24.12);(215.05473,2.5);(216.04782,2.6);(224.05449,2.7);(225.05737,6.91);(226.05589,2.4);(227.03105,2.5);(229.08681,47.45);(230.08708,5.01);(240.07834,1.4);(241.04979,26.13);(242.05026,41.14);(243.06004,14.01);(244.07083,1.1);(252.04219,12.91);(253.04691,31.13);(254.05621,9.61);(255.06386,2.8);(257.08081,2.3);(269.04456,73.47);(270.0527,70.17);(271.05594,15.62);(272.05316,2.0);(285.0769,65.17)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02415,4.2);(78.04041,2.0);(79.02069,1.9);(79.88261,2.0);(81.26894,2.0);(83.01004,2.4);(91.02113,2.8);(92.03138,3.5);(103.02058,1.9);(104.02583,33.83);(105.03227,5.21);(107.01289,2.0);(115.06364,3.5);(117.0364,5.51);(119.01429,2.0);(121.02843,2.8);(126.05392,3.8);(127.06063,3.6);(129.06152,2.0);(130.04382,2.2);(132.0197,45.75);(133.0343,3.9);(134.04163,2.7);(138.04613,2.1);(139.052,7.21);(140.04179,3.5);(141.03477,28.33);(142.03487,1.8);(143.04875,11.51);(151.00369,3.1);(152.02599,2.0);(153.02704,9.51);(154.0383,10.51);(155.05008,22.72);(157.02919,4.2);(158.0282,2.5);(166.04529,9.71);(167.04951,100.0);(168.04907,15.02);(169.03102,8.61);(170.04129,3.4);(171.0502,2.7);(176.08217,3.9);(178.04463,2.5);(179.04584,5.31);(181.03296,1.8);(182.03845,42.24);(183.04317,39.74);(184.05698,8.31);(185.05185,2.4);(193.03299,2.2);(195.0428,19.42);(196.05273,3.3);(210.03227,25.43);(211.03963,83.98);(212.04341,10.01);(222.03574,2.9);(223.04437,4.5);(239.03847,6.61);(240.03807,2.1);(251.03046,4.5);(267.02603,4.2);(268.04291,3.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02056,2.8);(67.02094,1.5);(69.00146,1.2);(71.69643,1.0);(77.03783,4.3);(78.01032,5.31);(80.00108,1.2);(83.01048,1.4);(85.00787,2.2);(89.03876,9.81);(90.04648,26.73);(91.05658,6.71);(92.03051,1.8);(93.02408,1.5);(95.01308,1.4);(96.01947,15.92);(97.02811,2.0);(102.04623,16.22);(103.0534,8.51);(104.05553,1.1);(105.03374,4.2);(106.03947,1.7);(107.04742,3.0);(108.02,3.7);(109.06396,2.0);(111.01044,3.3);(114.0507,2.2);(115.05508,32.63);(116.05972,11.11);(116.9362,1.4);(118.04574,9.11);(119.03933,1.7);(120.05247,1.4);(121.02617,2.6);(122.02275,1.7);(123.04605,2.6);(124.01586,22.22);(125.65406,2.2);(127.05521,13.31);(128.06564,9.91);(129.0677,13.61);(130.03929,18.72);(131.04637,8.01);(132.0578,2.2);(134.03465,2.3);(135.04573,2.9);(136.04904,1.8);(137.02219,1.7);(138.0462,2.0);(139.05295,22.52);(140.06265,5.01);(141.06938,22.72);(142.03798,2.4);(143.04443,14.71);(144.0544,5.01);(145.05759,13.11);(146.06787,2.1);(147.04645,2.9);(149.02711,1.6);(150.06378,2.2);(151.05684,3.3);(152.00772,8.51);(153.01628,28.93);(154.01248,3.7);(155.04787,2.6);(156.056,1.8);(157.06427,17.02);(158.07129,5.61);(159.03726,3.5);(160.04976,2.6);(161.10237,1.2);(162.0558,1.2);(165.07423,1.7);(167.04218,3.2);(168.06081,7.51);(169.06218,9.01);(171.04367,15.42);(172.05202,3.4);(173.02432,1.2);(174.06754,1.5);(175.03899,2.9);(177.0145,1.6);(182.08,2.9);(183.04713,5.61);(184.05211,10.11);(185.06367,19.72);(186.06467,1.9);(187.03482,4.5);(192.04231,1.6);(193.19667,2.4);(195.04396,5.61);(196.05309,3.7);(197.05658,9.61);(198.06265,1.3);(199.03839,2.0);(200.04861,5.01);(201.05365,2.4);(203.0345,1.5);(205.12245,1.8);(212.05276,6.61);(213.05289,100.0);(214.06345,15.52);(215.05284,3.6);(216.04076,5.91);(225.05815,8.61);(241.05754,10.81);(242.04172,4.6);(243.06725,1.4);(252.04703,1.5);(253.06354,1.5);(254.05228,3.7);(269.03937,4.8);(270.04099,1.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.12083,1.1);(79.05042,1.6);(90.04941,2.6);(95.04958,1.0);(96.02021,1.2);(103.05353,3.7);(105.06979,6.41);(106.0716,1.3);(107.05025,2.6);(111.00624,4.9);(115.05573,1.7);(118.04163,19.72);(119.04338,5.71);(121.02821,5.51);(123.04288,23.62);(124.01513,21.82);(125.02022,3.7);(128.06006,1.1);(131.04543,1.3);(132.05653,2.6);(133.0648,15.22);(135.04248,3.7);(139.04587,1.1);(141.07117,2.9);(144.05545,1.8);(145.06754,5.51);(147.04314,1.5);(149.02452,38.24);(150.02531,2.9);(151.04515,1.8);(152.00984,100.0);(153.01735,51.35);(154.01714,3.7);(155.05476,1.7);(158.03677,37.34);(159.03891,6.81);(162.07272,1.0);(163.03786,1.3);(168.0598,3.7);(169.06415,7.81);(171.04295,3.1);(172.05194,2.1);(173.05885,2.3);(179.03406,8.71);(180.03304,1.4);(183.08089,4.0);(184.04875,2.6);(185.05659,3.1);(186.06157,8.21);(187.02463,1.1);(191.03445,1.9);(196.056,4.0);(197.0563,14.91);(198.06725,4.9);(199.0723,1.4);(200.04932,3.4);(201.05148,3.1);(202.78085,1.1);(206.03226,1.0);(211.04283,3.2);(213.05496,61.76);(214.05864,24.52);(215.04997,1.5);(216.02817,1.1);(224.0535,5.31);(225.0545,6.81);(227.06119,1.8);(229.08669,53.25);(230.09073,2.8);(241.04825,27.83);(242.05775,91.89);(243.061,15.12);(244.07019,2.1);(252.034,5.91);(253.05084,58.36);(254.05347,12.81);(255.0638,2.3);(256.07333,2.1);(269.04535,82.08);(270.05011,65.37);(271.06091,5.21);(272.06247,2.5);(285.07602,60.36)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02415,4.2);(78.04041,2.0);(79.02069,1.9);(79.88261,2.0);(81.26894,2.0);(83.01004,2.4);(91.02113,2.8);(92.03138,3.5);(103.02058,1.9);(104.02583,33.8);(105.03227,5.2);(107.01289,2.0);(115.06364,3.5);(117.0364,5.5);(119.01429,2.0);(121.02843,2.8);(126.05392,3.8);(127.06063,3.6);(129.06152,2.0);(130.04382,2.2);(132.0197,45.7);(133.0343,3.9);(134.04163,2.7);(138.04613,2.1);(139.052,7.2);(140.04179,3.5);(141.03477,28.3);(142.03487,1.8);(143.04875,11.5);(151.00369,3.1);(152.02599,2.0);(153.02704,9.5);(154.0383,10.5);(155.05008,22.7);(157.02919,4.2);(158.0282,2.5);(166.04529,9.7);(167.04951,100.0);(168.04907,15.0);(169.03102,8.6);(170.04129,3.4);(171.0502,2.7);(176.08217,3.9);(178.04463,2.5);(179.04584,5.3);(181.03296,1.8);(182.03845,42.2);(183.04317,39.7);(184.05698,8.3);(185.05185,2.4);(193.03299,2.2);(195.0428,19.4);(196.05273,3.3);(210.03227,25.4);(211.03963,84.0);(212.04341,10.0);(222.03574,2.9);(223.04437,4.5);(239.03847,6.6);(240.03807,2.1);(251.03046,4.5);(267.02603,4.2);(268.04291,3.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(132.026,1.8);(211.047,1.9);(223.047,2.1);(224.054,2.5);(226.034,1.8);(239.043,15.52);(240.05,6.71);(267.039,20.02);(268.047,100.0);(269.049,12.51);(270.051,1.1);(283.07,5.01)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(268.0371,9.88);(283.0606,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(123.0438,16.11);(124.0152,2.26);(139.0387,1.31);(149.0232,9.55);(152.0102,22.83);(153.0179,5.43);(179.0336,6.08);(201.0547,1.16);(229.0858,23.48);(242.0575,1.53);(252.0417,7.12);(253.0495,24.45);(255.0653,1.99);(257.0806,3.92);(269.0446,11.61);(270.0523,46.59);(285.0755,100.0);(286.0786,22.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.049,1.01);(118.0411,1.26);(121.0283,1.43);(123.0439,34.43);(124.0152,4.74);(139.039,2.4);(147.0441,1.01);(149.0233,20.93);(152.0102,48.2);(153.0179,11.96);(163.0387,2.25);(167.0336,1.18);(179.0338,13.74);(192.0416,1.02);(197.0596,1.61);(201.0543,2.45);(215.0702,2.36);(229.086,50.54);(239.0704,1.16);(242.0575,3.43);(252.0419,14.91);(253.0496,52.99);(255.0652,3.99);(257.0807,8.26);(267.0653,1.19);(269.0446,24.72);(270.0523,100.0);(285.0757,60.43);(286.0789,31.69)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.02,1.18);(211.0366,2.02);(224.0459,1.28);(239.0339,2.96);(240.0416,1.91);(267.0303,4.15);(268.0374,100.0);(268.0923,1.14);(268.1875,1.55);(283.0603,52.13)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(104.03,4.7);(107.018,7.01);(117.038,4.2);(121.033,2.3);(123.049,2.0);(130.045,2.6);(132.026,56.96);(133.03,4.6);(134.042,6.41);(135.012,4.7);(141.041,3.9);(142.047,2.5);(143.054,6.21);(151.01,3.1);(154.047,5.01);(155.056,4.4);(156.064,2.0);(167.056,25.73);(168.06,3.8);(178.049,2.0);(179.057,3.6);(180.063,1.9);(182.043,3.7);(183.051,23.22);(184.057,8.21);(195.051,31.33);(196.057,4.9);(199.047,2.0);(210.04,5.01);(211.047,100.0);(212.052,15.02);(213.055,2.4);(223.047,16.32);(224.052,4.8);(226.035,3.3);(239.043,70.17);(240.048,10.71);(241.049,2.9);(267.038,50.05);(268.043,12.11);(269.05,2.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(83.01138,1.1);(91.01859,3.1);(104.02731,2.1);(107.01001,2.6);(132.02061,34.5);(133.02417,2.8);(134.03569,3.2);(135.00838,9.7);(142.04024,3.6);(151.00313,1.2);(154.03932,4.4);(155.04736,3.3);(156.05391,1.2);(158.03786,1.2);(166.0417,1.2);(167.04898,10.5);(168.0544,3.5);(170.03964,1.5);(171.04274,1.1);(178.0378,1.8);(179.04887,1.9);(180.05357,2.7);(183.04358,6.3);(184.0506,8.0);(195.04462,21.6);(196.05029,10.5);(198.03094,4.0);(199.03824,1.2);(200.04095,1.8);(211.03908,76.5);(212.04544,13.8);(213.05086,2.0);(223.03979,28.9);(224.04521,18.6);(225.0192,1.1);(226.03143,6.5);(227.02724,2.9);(239.03412,97.2);(240.0396,28.7);(241.04477,5.4);(267.02933,100.0);(268.0351,90.8);(269.03241,6.7);(270.03903,2.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.025,7.51);(65.0037,5.36);(83.014,3.04);(91.0189,8.84);(92.0256,1.13);(104.027,13.85);(105.0338,1.12);(107.0134,4.81);(117.0334,1.27);(130.0404,1.15);(132.0214,49.3);(134.0369,4.7);(135.0081,7.49);(141.0332,1.95);(142.0416,4.1);(143.0487,2.57);(147.0072,1.81);(151.0035,4.26);(154.042,7.43);(155.0503,3.86);(156.0582,2.1);(166.0418,2.41);(167.0499,24.79);(168.0565,2.46);(169.0278,1.44);(170.0361,1.4);(171.0444,1.64);(179.0496,4.66);(180.058,1.67);(182.037,3.42);(183.0452,16.83);(184.0526,9.12);(194.0364,1.03);(195.045,32.11);(196.0522,5.68);(197.023,1.15);(198.031,2.26);(199.0388,1.81);(210.032,4.54);(211.04,100.0);(212.0474,8.74);(222.0315,1.46);(223.0402,22.12);(224.047,5.52);(226.0261,5.28);(239.0348,81.01);(240.0428,12.45);(251.0332,1.03);(267.0296,74.45);(268.0372,23.76)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,6.16);(65.0033,5.05);(83.0139,2.86);(91.0189,11.84);(104.0267,1.89);(107.0139,5.91);(108.0216,1.28);(117.0346,1.17);(121.0294,1.3);(130.0424,1.13);(132.0217,60.63);(134.0373,4.91);(135.0088,6.3);(141.0346,1.28);(143.0502,1.83);(147.0087,2.09);(151.0036,4.17);(153.0194,1.43);(154.0424,8.44);(155.0504,1.63);(156.0582,1.91);(167.0502,21.58);(168.0579,1.35);(169.0295,1.68);(170.0374,1.11);(171.0451,2.0);(179.0502,3.89);(180.0579,1.54);(182.0374,1.74);(183.0451,12.21);(184.0529,8.97);(195.0451,34.01);(196.0529,4.54);(197.0243,1.15);(198.0323,1.98);(199.0399,1.56);(210.0322,2.19);(211.04,100.0);(212.0478,6.05);(223.0401,23.22);(224.0479,4.53);(226.0272,5.08);(239.0349,75.61);(240.0428,8.76);(267.0299,68.67);(268.0376,12.49)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,16.79);(65.0033,14.27);(83.0139,5.54);(91.019,14.81);(93.0346,1.15);(104.0268,2.91);(107.0139,6.02);(108.0218,1.97);(117.0346,3.29);(121.0296,1.59);(123.0452,2.68);(130.0424,2.58);(132.0217,49.17);(134.0374,4.95);(135.0088,2.65);(139.0554,3.07);(141.0347,5.75);(143.0502,4.56);(145.0293,1.13);(147.0089,1.7);(151.0038,1.96);(153.0346,1.87);(154.0425,8.69);(155.0503,8.52);(156.0581,1.77);(165.0347,1.42);(167.0503,52.42);(169.0296,4.45);(170.0375,1.01);(171.0453,1.93);(173.061,1.12);(178.0425,1.5);(179.0503,5.18);(182.0375,5.96);(183.0452,32.58);(184.053,5.75);(195.0452,38.24);(196.0534,1.15);(197.0245,1.6);(210.0323,11.14);(211.0401,100.0);(212.048,1.67);(223.0402,13.19);(239.0351,30.8);(240.043,1.08);(267.03,22.06)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(83.01138,1.1);(91.01859,3.1);(104.02731,2.1);(107.01001,2.6);(132.02061,34.53);(133.02417,2.8);(134.03569,3.2);(135.00838,9.71);(142.04024,3.6);(143.04842,1.0);(151.00313,1.2);(154.03932,4.4);(155.04736,3.3);(156.05391,1.2);(158.03786,1.2);(166.0417,1.2);(167.04898,10.51);(168.0544,3.5);(170.03964,1.5);(171.04274,1.1);(172.04817,1.0);(178.0378,1.8);(179.04887,1.9);(180.05357,2.7);(183.04358,6.31);(184.0506,8.01);(195.04462,21.62);(196.05029,10.51);(198.03094,4.0);(199.03824,1.2);(200.04095,1.8);(211.03908,76.48);(212.04544,13.81);(213.05086,2.0);(223.03979,28.93);(224.04521,18.62);(225.0192,1.1);(226.03143,6.51);(227.02724,2.9);(239.03412,97.2);(240.0396,28.73);(241.04477,5.41);(250.0295,1.0);(267.02933,100.0);(268.0351,90.79);(269.03241,6.71);(270.03903,2.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.019,3.89);(107.0138,1.79);(132.0217,34.49);(134.0374,2.28);(135.0088,9.13);(147.0089,1.17);(151.0036,3.41);(153.0192,1.98);(154.0425,3.33);(167.0502,3.4);(168.058,1.22);(180.0581,2.25);(183.0451,2.17);(184.053,5.78);(195.0451,12.34);(196.0529,7.44);(198.0322,2.16);(199.0401,1.18);(211.04,39.64);(212.0479,10.55);(222.0323,1.1);(223.0401,19.07);(224.0479,12.83);(226.0271,11.18);(239.0349,76.17);(240.0427,20.64);(250.0268,1.57);(267.0299,77.68);(268.0376,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0308396346);(51.0234751,0.0084953122);(53.03912516,0.0015461627);(57.03403978,0.104955427);(68.99765427,0.0129332601);(81.03403978,0.0023941284);(83.04968984,0.0708956634);(92.99765427,0.0001216502);(103.0547752,0.0010348842);(105.0340398,0.0001568577);(107.0496898,0.0001384442);(111.008219,0.0001279821);(119.0496898,0.0001587625);(133.0653399,0.2014435966);(137.023869,0.0051723507);(149.0602545,0.0369023826);(153.0187836,0.7056971551);(179.0344337,0.0004409653);(201.0551691,0.000403086);(203.0344337,0.1021941333);(213.0551691,0.0003422575);(227.0344337,0.0403636571);(229.0500838,0.1153691898);(239.0344337,0.0023672934);(241.0500838,0.0095109304);(243.0657338,0.0659647927);(255.0657338,1.378324305);(257.0449984,0.2787567151);(259.0606485,0.2316354043);(269.0449984,0.2662255974);(285.0762985,96.32508802)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.0738763559);(51.0234751,0.182143777);(53.03912516,0.0044888907);(57.03403978,0.124253839);(68.99765427,0.2227203829);(77.03912516,0.0025350147);(81.03403978,0.0662569318);(83.04968984,0.2006077531);(85.0289544,0.0017812421);(103.0547752,0.005395041);(105.0340398,0.0021789619);(111.008219,0.0013014152);(119.0496898,0.0021739892);(133.0653399,0.4387120947);(137.023869,0.068681422);(149.0602545,0.1908104373);(153.0187836,1.264122159);(173.0602545,0.0011365107);(179.0344337,0.0093230452);(203.0344337,0.4952646973);(213.0551691,0.010003378);(227.0344337,0.2993453575);(229.0500838,1.061620198);(239.0344337,0.0099772783);(241.0500838,0.0434084366);(243.0657338,1.118058953);(255.0657338,1.517337767);(257.0449984,1.590551942);(259.0606485,0.678191988);(269.0449984,0.6630192078);(285.0762985,89.65072153)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,2.519566751);(51.0234751,7.056343495);(68.99765427,4.469577999);(69.03403978,1.397507699);(77.03912516,2.052414945);(81.03403978,0.6620304837);(85.0289544,2.564167576);(93.03403978,0.5784324058);(103.0547752,4.998474378);(107.0496898,0.5671959772);(111.008219,1.03881919);(119.0496898,1.187256225);(133.0289544,0.7374574153);(133.0653399,6.68405747);(137.023869,2.396594788);(149.0602545,1.842066849);(153.0187836,22.78884033);(175.0759046,0.7246627187);(201.0551691,0.6212733477);(203.0344337,2.63110341);(213.0551691,1.340724372);(227.0344337,3.05957246);(229.0500838,5.406419118);(239.0344337,0.6257945904);(241.0500838,0.9260803178);(243.0657338,1.825476703);(255.0657338,9.863823704);(257.0449984,0.9811623687);(259.0606485,1.153752665);(269.0449984,0.9822752615);(285.0762985,6.317074983)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0308396346);(51.0234751,0.0084953122);(53.03912516,0.0015461627);(57.03403978,0.104955427);(68.99765427,0.0129332601);(81.03403978,0.0023941284);(83.04968984,0.0708956634);(92.99765427,0.0001216502);(103.0547752,0.0010348842);(105.0340398,0.0001568577);(107.0496898,0.0001384442);(111.008219,0.0001279821);(119.0496898,0.0001587625);(133.0653399,0.2014435966);(137.023869,0.0051723507);(149.0602545,0.0369023826);(153.0187836,0.7056971551);(179.0344337,0.0004409653);(201.0551691,0.000403086);(203.0344337,0.1021941333);(213.0551691,0.0003422575);(227.0344337,0.0403636571);(229.0500838,0.1153691898);(239.0344337,0.0023672934);(241.0500838,0.0095109304);(243.0657338,0.0659647927);(255.0657338,1.378324305);(257.0449984,0.2787567151);(259.0606485,0.2316354043);(269.0449984,0.2662255974);(285.0762985,96.32508802)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.0738763559);(51.0234751,0.182143777);(53.03912516,0.0044888907);(57.03403978,0.124253839);(68.99765427,0.2227203829);(77.03912516,0.0025350147);(81.03403978,0.0662569318);(83.04968984,0.2006077531);(85.0289544,0.0017812421);(103.0547752,0.005395041);(105.0340398,0.0021789619);(111.008219,0.0013014152);(119.0496898,0.0021739892);(133.0653399,0.4387120947);(137.023869,0.068681422);(149.0602545,0.1908104373);(153.0187836,1.264122159);(173.0602545,0.0011365107);(179.0344337,0.0093230452);(203.0344337,0.4952646973);(213.0551691,0.010003378);(227.0344337,0.2993453575);(229.0500838,1.061620198);(239.0344337,0.0099772783);(241.0500838,0.0434084366);(243.0657338,1.118058953);(255.0657338,1.517337767);(257.0449984,1.590551942);(259.0606485,0.678191988);(269.0449984,0.6630192078);(285.0762985,89.65072153)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,2.519566751);(51.0234751,7.056343495);(68.99765427,4.469577999);(69.03403978,1.397507699);(77.03912516,2.052414945);(81.03403978,0.6620304837);(85.0289544,2.564167576);(93.03403978,0.5784324058);(103.0547752,4.998474378);(107.0496898,0.5671959772);(111.008219,1.03881919);(119.0496898,1.187256225);(133.0289544,0.7374574153);(133.0653399,6.68405747);(137.023869,2.396594788);(149.0602545,1.842066849);(153.0187836,22.78884033);(175.0759046,0.7246627187);(201.0551691,0.6212733477);(203.0344337,2.63110341);(213.0551691,1.340724372);(227.0344337,3.05957246);(229.0500838,5.406419118);(239.0344337,0.6257945904);(241.0500838,0.9260803178);(243.0657338,1.825476703);(255.0657338,9.863823704);(257.0449984,0.9811623687);(259.0606485,1.153752665);(269.0449984,0.9822752615);(285.0762985,6.317074983)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0042240568);(31.01838972,0.0005563473);(41.00273965,0.0617156539);(51.0234751,0.000334943);(55.01838972,0.2729401126);(65.00273965,0.0001947387);(81.03403978,0.0490982127);(83.01330434,0.0003001568);(101.0391252,0.0018433802);(105.0340398,0.0003091389);(117.0340398,0.0033260011);(131.0133043,0.0005167773);(131.0496898,0.2688152636);(135.008219,0.0022550002);(147.0446045,0.1989034673);(151.0031336,0.647421413);(171.0446045,0.0004302595);(173.0602545,0.0002301813);(177.0187836,0.0022115746);(201.0187836,0.028133541);(211.0395191,0.0019874678);(215.0344337,0.0001973314);(215.0708192,0.0170931153);(225.0187836,0.0065254585);(227.0344337,0.0182493958);(241.0500838,0.1600479113);(253.0500838,1.087987335);(255.0293483,0.0474932586);(257.0449984,0.2227677377);(267.0293483,0.0329559776);(283.0606485,96.86093479)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.0148956335);(31.01838972,0.0140974875);(41.00273965,0.3336345072);(55.01838972,0.135051999);(65.00273965,0.0043325658);(81.03403978,0.081153343);(101.0391252,0.0143807717);(117.0340398,0.0045643688);(131.0133043,0.0052291861);(131.0496898,0.7093762839);(135.008219,0.3015324413);(147.0446045,0.1259987798);(151.0031336,1.762608835);(171.0446045,0.0060156624);(173.0602545,0.0131870041);(175.0395191,0.0133574084);(177.0187836,0.0501113512);(187.0395191,0.0056837294);(201.0187836,0.1621447462);(211.0395191,0.0680894003);(215.0344337,0.0084600952);(215.0708192,0.0941037114);(225.0187836,0.0811318663);(227.0344337,0.4419700017);(241.0136983,0.0084062384);(241.0500838,1.320207128);(253.0500838,4.21840363);(255.0293483,0.7084748419);(257.0449984,0.8438286469);(267.0293483,0.0927369537);(283.0606485,88.35683138)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,2.31155606);(55.01838972,6.537053503);(65.00273965,1.350820429);(67.01838972,0.8536501108);(75.0234751,1.705533425);(83.01330434,2.696613029);(92.99765427,0.9937916714);(101.0391252,4.131772107);(105.0340398,1.353772549);(108.9925689,0.7942214376);(117.0340398,0.888867248);(131.0496898,9.278544642);(135.008219,2.842134762);(147.0446045,0.8103628815);(151.0031336,13.19579991);(173.0602545,1.837763087);(175.0395191,1.061443202);(177.0187836,1.90182013);(185.023869,1.457741837);(187.0395191,1.030903711);(201.0187836,1.293297639);(211.0395191,4.725563232);(215.0344337,1.233173331);(215.0708192,1.397867869);(225.0187836,1.494614066);(227.0344337,4.481887712);(241.0500838,6.262501619);(253.0500838,10.52591424);(255.0293483,1.717933587);(257.0449984,2.490707919);(283.0606485,7.342373047)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0042240568);(31.01838972,0.0005563473);(41.00273965,0.0617156539);(51.0234751,0.000334943);(55.01838972,0.2729401126);(65.00273965,0.0001947387);(81.03403978,0.0490982127);(83.01330434,0.0003001568);(101.0391252,0.0018433802);(105.0340398,0.0003091389);(117.0340398,0.0033260011);(131.0133043,0.0005167773);(131.0496898,0.2688152636);(135.008219,0.0022550002);(147.0446045,0.1989034673);(151.0031336,0.647421413);(171.0446045,0.0004302595);(173.0602545,0.0002301813);(177.0187836,0.0022115746);(201.0187836,0.028133541);(211.0395191,0.0019874678);(215.0344337,0.0001973314);(215.0708192,0.0170931153);(225.0187836,0.0065254585);(227.0344337,0.0182493958);(241.0500838,0.1600479113);(253.0500838,1.087987335);(255.0293483,0.0474932586);(257.0449984,0.2227677377);(267.0293483,0.0329559776);(283.0606485,96.86093479)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.0148956335);(31.01838972,0.0140974875);(41.00273965,0.3336345072);(55.01838972,0.135051999);(65.00273965,0.0043325658);(81.03403978,0.081153343);(101.0391252,0.0143807717);(117.0340398,0.0045643688);(131.0133043,0.0052291861);(131.0496898,0.7093762839);(135.008219,0.3015324413);(147.0446045,0.1259987798);(151.0031336,1.762608835);(171.0446045,0.0060156624);(173.0602545,0.0131870041);(175.0395191,0.0133574084);(177.0187836,0.0501113512);(187.0395191,0.0056837294);(201.0187836,0.1621447462);(211.0395191,0.0680894003);(215.0344337,0.0084600952);(215.0708192,0.0941037114);(225.0187836,0.0811318663);(227.0344337,0.4419700017);(241.0136983,0.0084062384);(241.0500838,1.320207128);(253.0500838,4.21840363);(255.0293483,0.7084748419);(257.0449984,0.8438286469);(267.0293483,0.0927369537);(283.0606485,88.35683138)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,2.31155606);(55.01838972,6.537053503);(65.00273965,1.350820429);(67.01838972,0.8536501108);(75.0234751,1.705533425);(83.01330434,2.696613029);(92.99765427,0.9937916714);(101.0391252,4.131772107);(105.0340398,1.353772549);(108.9925689,0.7942214376);(117.0340398,0.888867248);(131.0496898,9.278544642);(135.008219,2.842134762);(147.0446045,0.8103628815);(151.0031336,13.19579991);(173.0602545,1.837763087);(175.0395191,1.061443202);(177.0187836,1.90182013);(185.023869,1.457741837);(187.0395191,1.030903711);(201.0187836,1.293297639);(211.0395191,4.725563232);(215.0344337,1.233173331);(215.0708192,1.397867869);(225.0187836,1.494614066);(227.0344337,4.481887712);(241.0500838,6.262501619);(253.0500838,10.52591424);(255.0293483,1.717933587);(257.0449984,2.490707919);(283.0606485,7.342373047)

Food Sources

	Name	Group
	Chickpea	Pulses and beans		Show
	Red clover	Pulses and beans	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
Biochanin A	Biochanin A	human	plasma, serum, urine	unchanged	3h-5h	50-200 nmol/L	Not Available	C₁₆H₁₂O₅	284.068473486	Publications
Biochanin A	Genistein	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₀O₅	270.052823422	Publications
Biochanin A	Biochanin A-7-O-glucuronide	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₂H₂₀O₁₁	460.100561464
Biochanin A	Biochanin A 7-O-sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available			Publications
Biochanin A	2,3-Dihydrobiochanin A	human	plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	Not Available	C₁₆H₁₄O₅	286.084123551	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Biochanin A