PhytoHub: Showing entry for Myricetin

Myricetin

Identification

PhytoHub ID

PHUB000694

Name

Myricetin

Systematic Name

Not Available

Synonyms

3,5,7,3',4',5'-Hexahydroxyflavone

CAS Number

Not Available

Average Mass

318.237

Monoisotopic Mass

318.037567282

Chemical Formula

C₁₅H₁₀O₈

IUPAC Name

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

InChI Key

IKMDFBPHZNJCSN-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

SMILES

OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.01e-01 g/l
LogS (ALOGPS): -3.02
LogP (ALOGPS): 1.66
Hydrogen Acceptors: 8
Hydrogen Donors: 6
Rotatable Bond Count: 1
Polar Surface Area: 147.68
Refractivity: 78.84309999999999
Polarizability: 29.454028736369203
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.050760199655587
pKa (strongest acidic): 6.37283944754045
Number of Rings: 3
Rule of Five: No
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 18152
PubChem: 5281672
Chemistry Dashboard: DTXSID8022400
KNApSAcK: C00001071
MetaboLights: MTBLC18152
Phenol-Explorer: 309
PeakForestCompound: 000547

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavonols

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Flavones
Direct Parent Name: Flavonols
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Pyrogallols and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "hexahydroxyflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenetriol", "Benzenoid", "Benzopyran", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol", "Pyran", "Pyranone", "Pyrogallol derivative", "Vinylogous acid"]

PeakForest Spectra ( Experimental Spectra from Phytohub Collaborators )

Record ID	Source	Description	View
PFs000001	PeakForest	Myricetin; LC-ESI-QTOF Bruker; MS; POSITIVE;	View Spectra

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)	Positive	Not Available	View Spectrum	(85.0,0.0600600601);(86.0,0.021021021);(87.0,0.0670670671);(88.0,0.038038038);(89.0,0.0930930931);(90.0,0.025025025);(91.0,0.0750750751);(92.0,0.025025025);(93.0,0.045045045);(94.0,0.001001001);(95.0,0.015015015);(96.0,0.017017017);(97.0,0.039039039);(98.0,0.021021021);(99.0,0.1111111111);(100.0,0.016016016);(101.0,0.034034034);(102.0,0.029029029);(103.0,0.1561561562);(104.0,0.033033033);(105.0,0.1331331331);(106.0,0.009009009);(107.0,0.0600600601);(108.0,0.012012012);(109.0,0.035035035);(110.0,0.003003003);(111.0,0.038038038);(112.0,0.003003003);(113.0,0.033033033);(114.0,0.003003003);(115.0,0.1491491491);(116.0,0.023023023);(117.0,0.0930930931);(118.0,0.022022022);(119.0,0.1331331331);(120.0,0.028028028);(121.0,0.044044044);(122.0,0.01001001);(123.0,0.021021021);(124.0,0.005005005);(125.0,0.011011011);(126.0,0.012012012);(127.0,0.034034034);(128.0,0.044044044);(129.0,0.0690690691);(130.0,0.021021021);(131.0,0.2372372372);(132.0,0.042042042);(133.0,0.6256256256);(134.0,0.0950950951);(135.0,0.1451451451);(136.0,0.024024024);(137.0,0.034034034);(138.0,0.019019019);(139.0,0.042042042);(140.0,0.011011011);(141.0,0.0520520521);(142.0,0.016016016);(143.0,0.0500500501);(144.0,0.009009009);(145.0,0.0640640641);(146.0,0.011011011);(147.0,1.0);(148.0,0.1841841842);(149.0,0.1661661662);(150.0,0.046046046);(151.0,0.0590590591);(152.0,0.046046046);(153.0,0.044044044);(154.0,0.017017017);(155.0,0.033033033);(156.0,0.013013013);(157.0,0.041041041);(158.0,0.012012012);(159.0,0.031031031);(160.0,0.011011011);(161.0,0.041041041);(162.0,0.017017017);(163.0,0.0800800801);(164.0,0.034034034);(165.0,0.1171171171);(166.0,0.041041041);(167.0,0.0510510511);(168.0,0.016016016);(169.0,0.028028028);(170.0,0.012012012);(171.0,0.033033033);(172.0,0.01001001);(173.0,0.026026026);(174.0,0.015015015);(175.0,0.036036036);(176.0,0.042042042);(177.0,0.1041041041);(178.0,0.0640640641);(179.0,0.2492492492);(180.0,0.0580580581);(181.0,0.0690690691);(182.0,0.017017017);(183.0,0.015015015);(185.0,0.027027027);(187.0,0.028028028);(188.0,0.01001001);(189.0,0.1141141141);(190.0,0.0520520521);(191.0,0.2082082082);(192.0,0.0690690691);(193.0,0.2732732733);(194.0,0.0660660661);(195.0,0.0800800801);(196.0,0.016016016);(197.0,0.018018018);(198.0,0.013013013);(199.0,0.016016016);(200.0,0.021021021);(201.0,0.027027027);(202.0,0.0580580581);(203.0,0.0760760761);(204.0,0.02002002);(205.0,0.0680680681);(206.0,0.023023023);(207.0,0.2512512513);(208.0,0.0710710711);(209.0,0.0870870871);(210.0,0.026026026);(211.0,0.028028028);(212.0,0.004004004);(213.0,0.022022022);(214.0,0.012012012);(215.0,0.04004004);(216.0,0.015015015);(217.0,0.0530530531);(218.0,0.018018018);(219.0,0.0500500501);(220.0,0.022022022);(221.0,0.0620620621);(222.0,0.024024024);(223.0,0.0660660661);(224.0,0.026026026);(225.0,0.027027027);(226.0,0.017017017);(227.0,0.022022022);(228.0,0.012012012);(229.0,0.017017017);(230.0,0.009009009);(231.0,0.026026026);(232.0,0.003003003);(233.0,0.022022022);(234.0,0.021021021);(235.0,0.0520520521);(236.0,0.025025025);(237.0,0.0650650651);(238.0,0.025025025);(239.0,0.033033033);(240.0,0.019019019);(241.0,0.02002002);(242.0,0.014014014);(243.0,0.019019019);(244.0,0.009009009);(245.0,0.016016016);(246.0,0.007007007);(247.0,0.025025025);(248.0,0.015015015);(249.0,0.0610610611);(250.0,0.027027027);(251.0,0.1121121121);(252.0,0.029029029);(253.0,0.0840840841);(254.0,0.035035035);(255.0,0.027027027);(256.0,0.011011011);(257.0,0.023023023);(258.0,0.007007007);(259.0,0.015015015);(260.0,0.004004004);(261.0,0.03003003);(262.0,0.011011011);(263.0,0.029029029);(264.0,0.021021021);(265.0,0.0510510511);(266.0,0.029029029);(267.0,0.0630630631);(268.0,0.023023023);(269.0,0.032032032);(270.0,0.005005005);(271.0,0.014014014);(272.0,0.01001001);(273.0,0.018018018);(274.0,0.008008008);(275.0,0.027027027);(276.0,0.003003003);(277.0,0.034034034);(278.0,0.026026026);(279.0,0.0540540541);(280.0,0.019019019);(281.0,0.0840840841);(282.0,0.027027027);(283.0,0.034034034);(284.0,0.007007007);(285.0,0.013013013);(286.0,0.013013013);(287.0,0.009009009);(288.0,0.004004004);(289.0,0.014014014);(290.0,0.014014014);(291.0,0.028028028);(292.0,0.016016016);(293.0,0.038038038);(294.0,0.016016016);(295.0,0.0740740741);(296.0,0.026026026);(297.0,0.026026026);(298.0,0.013013013);(299.0,0.017017017);(301.0,0.017017017);(302.0,0.005005005);(303.0,0.023023023);(304.0,0.017017017);(305.0,0.023023023);(306.0,0.015015015);(307.0,0.033033033);(308.0,0.021021021);(309.0,0.034034034);(310.0,0.015015015);(311.0,0.024024024);(312.0,0.015015015);(313.0,0.014014014);(314.0,0.007007007);(315.0,0.028028028);(316.0,0.1711711712);(317.0,0.1011011011);(318.0,0.019019019);(319.0,0.015015015);(320.0,0.015015015);(321.0,0.029029029);(322.0,0.014014014);(323.0,0.046046046);(324.0,0.037037037);(325.0,0.038038038);(326.0,0.017017017);(327.0,0.044044044);(328.0,0.012012012);(329.0,0.014014014);(330.0,0.009009009);(331.0,0.015015015);(332.0,0.006006006);(333.0,0.009009009);(334.0,0.003003003);(335.0,0.02002002);(336.0,0.015015015);(337.0,0.041041041);(338.0,0.014014014);(339.0,0.027027027);(340.0,0.017017017);(341.0,0.027027027);(342.0,0.01001001);(343.0,0.015015015);(344.0,0.007007007);(345.0,0.007007007);(346.0,0.013013013);(347.0,0.01001001);(348.0,0.007007007);(349.0,0.012012012);(350.0,0.013013013);(351.0,0.027027027);(352.0,0.019019019);(353.0,0.031031031);(354.0,0.027027027);(355.0,0.039039039);(356.0,0.019019019);(357.0,0.029029029);(358.0,0.017017017);(359.0,0.014014014);(360.0,0.012012012);(361.0,0.009009009);(362.0,0.009009009);(363.0,0.006006006);(364.0,0.009009009);(365.0,0.019019019);(366.0,0.019019019);(367.0,0.048048048);(368.0,0.0710710711);(369.0,0.0690690691);(370.0,0.026026026);(371.0,0.029029029);(372.0,0.01001001);(373.0,0.014014014);(374.0,0.005005005);(375.0,0.048048048);(376.0,0.033033033);(377.0,0.018018018);(378.0,0.018018018);(379.0,0.031031031);(380.0,0.018018018);(381.0,0.038038038);(382.0,0.021021021);(383.0,0.027027027);(384.0,0.012012012);(385.0,0.031031031);(386.0,0.016016016);(387.0,0.014014014);(388.0,0.006006006);(389.0,0.007007007);(390.0,0.01001001);(391.0,0.006006006);(392.0,0.015015015);(393.0,0.0760760761);(394.0,0.047047047);(395.0,0.043043043);(396.0,0.026026026);(397.0,0.035035035);(398.0,0.022022022);(399.0,0.047047047);(400.0,0.018018018);(401.0,0.015015015);(402.0,0.009009009);(403.0,0.007007007);(405.0,0.007007007);(406.0,0.003003003);(407.0,0.013013013);(408.0,0.008008008);(409.0,0.018018018);(410.0,0.015015015);(411.0,0.03003003);(412.0,0.028028028);(413.0,0.033033033);(414.0,0.022022022);(415.0,0.019019019);(416.0,0.018018018);(417.0,0.009009009);(419.0,0.006006006);(420.0,0.008008008);(421.0,0.006006006);(422.0,0.009009009);(423.0,0.013013013);(424.0,0.008008008);(425.0,0.022022022);(426.0,0.021021021);(427.0,0.033033033);(428.0,0.024024024);(429.0,0.039039039);(430.0,0.023023023);(431.0,0.024024024);(432.0,0.017017017);(433.0,0.009009009);(435.0,0.005005005);(436.0,0.007007007);(437.0,0.008008008);(438.0,0.003003003);(439.0,0.014014014);(440.0,0.009009009);(441.0,0.023023023);(442.0,0.023023023);(443.0,0.025025025);(444.0,0.011011011);(445.0,0.015015015);(446.0,0.006006006);(447.0,0.007007007);(448.0,0.008008008);(449.0,0.005005005);(450.0,0.002002002);(451.0,0.009009009);(452.0,0.007007007);(453.0,0.013013013);(454.0,0.017017017);(455.0,0.024024024);(456.0,0.028028028);(457.0,0.033033033);(458.0,0.024024024);(459.0,0.021021021);(460.0,0.012012012);(461.0,0.004004004);(463.0,0.004004004);(464.0,0.005005005);(465.0,0.005005005);(467.0,0.015015015);(468.0,0.013013013);(469.0,0.019019019);(470.0,0.026026026);(471.0,0.046046046);(472.0,0.031031031);(473.0,0.037037037);(474.0,0.023023023);(475.0,0.016016016);(476.0,0.007007007);(477.0,0.006006006);(480.0,0.004004004);(481.0,0.007007007);(482.0,0.014014014);(483.0,0.014014014);(484.0,0.021021021);(485.0,0.04004004);(486.0,0.029029029);(487.0,0.045045045);(488.0,0.029029029);(489.0,0.024024024);(490.0,0.014014014);(491.0,0.004004004);(492.0,0.004004004);(494.0,0.002002002);(495.0,0.007007007);(496.0,0.008008008);(497.0,0.013013013);(498.0,0.022022022);(499.0,0.025025025);(500.0,0.032032032)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.079);(71.0,0.096);(72.0,0.369);(76.0,0.173);(77.0,0.452);(79.0,0.05);(82.0,0.013);(83.0,0.11);(84.0,0.027);(85.0,0.09);(86.0,0.03);(87.0,0.087);(88.0,0.022);(89.0,0.075);(90.0,0.022);(91.0,0.125);(92.0,0.028);(93.0,0.054);(94.0,0.007);(95.0,0.025);(97.0,0.034);(99.0,0.127);(101.0,0.042);(102.0,0.024);(103.0,0.192);(104.0,0.035);(105.0,0.174);(106.0,0.02);(107.0,0.037);(108.0,0.015);(109.0,0.036);(110.0,0.018);(111.0,0.031);(112.0,0.007);(113.0,0.036);(114.0,0.012);(115.0,0.215);(116.0,0.034);(117.0,0.133);(118.0,0.029);(119.0,0.192);(120.0,0.032);(121.0,0.052);(122.0,0.018);(123.0,0.03);(124.0,0.01);(125.0,0.014);(126.0,0.017);(127.0,0.03);(128.0,0.058);(129.0,0.089);(130.0,0.01);(131.0,0.416);(132.0,0.067);(133.0,1.0);(134.0,0.131);(135.0,0.194);(136.0,0.024);(137.0,0.037);(138.0,0.013);(139.0,0.038);(141.0,0.063);(142.0,0.016);(143.0,0.07);(144.0,0.012);(145.0,0.088);(146.0,0.022);(150.0,0.055);(151.0,0.079);(152.0,0.062);(153.0,0.055);(154.0,0.016);(155.0,0.056);(156.0,0.009);(157.0,0.057);(158.0,0.009);(159.0,0.043);(160.0,0.016);(161.0,0.051);(162.0,0.026);(163.0,0.103);(164.0,0.043);(165.0,0.158);(166.0,0.037);(167.0,0.06);(168.0,0.015);(169.0,0.039);(170.0,0.014);(171.0,0.042);(172.0,0.008);(173.0,0.029);(175.0,0.042);(176.0,0.055);(177.0,0.143);(178.0,0.096);(179.0,0.428);(180.0,0.082);(181.0,0.092);(182.0,0.021);(183.0,0.048);(184.0,0.021);(185.0,0.024);(186.0,0.007);(187.0,0.023);(188.0,0.015);(189.0,0.181);(190.0,0.067);(191.0,0.347);(192.0,0.091);(193.0,0.469);(194.0,0.094);(195.0,0.126);(196.0,0.022);(197.0,0.043);(198.0,0.011);(199.0,0.02);(200.0,0.019);(201.0,0.033);(202.0,0.091);(203.0,0.095);(204.0,0.029);(205.0,0.103);(206.0,0.04);(207.0,0.458);(208.0,0.112);(209.0,0.12);(210.0,0.04);(211.0,0.032);(212.0,0.01);(213.0,0.035);(214.0,0.016);(215.0,0.066);(216.0,0.032);(217.0,0.059);(218.0,0.023);(219.0,0.081);(220.0,0.027);(221.0,0.109);(222.0,0.033);(223.0,0.093);(224.0,0.04);(225.0,0.05);(226.0,0.02);(227.0,0.03);(228.0,0.02);(229.0,0.034);(230.0,0.016);(231.0,0.04);(232.0,0.019);(233.0,0.057);(234.0,0.021);(235.0,0.068);(236.0,0.039);(237.0,0.097);(238.0,0.045);(239.0,0.058);(240.0,0.022);(241.0,0.035);(242.0,0.016);(243.0,0.025);(244.0,0.012);(245.0,0.024);(246.0,0.015);(247.0,0.048);(248.0,0.018);(249.0,0.111);(250.0,0.037);(251.0,0.174);(252.0,0.056);(253.0,0.138);(254.0,0.042);(255.0,0.044);(256.0,0.011);(257.0,0.028);(258.0,0.013);(259.0,0.025);(260.0,0.019);(261.0,0.031);(262.0,0.016);(263.0,0.043);(264.0,0.021);(265.0,0.102);(266.0,0.048);(267.0,0.083);(268.0,0.029);(269.0,0.041);(271.0,0.023);(272.0,0.015);(273.0,0.029);(274.0,0.011);(275.0,0.034);(276.0,0.016);(277.0,0.05);(278.0,0.016);(279.0,0.078);(280.0,0.033);(281.0,0.157);(282.0,0.047);(283.0,0.061);(284.0,0.013);(285.0,0.026);(286.0,0.012);(287.0,0.023);(288.0,0.017);(289.0,0.023);(290.0,0.024);(291.0,0.063);(292.0,0.03);(293.0,0.06);(294.0,0.029);(295.0,0.11);(296.0,0.031);(297.0,0.068);(298.0,0.027);(299.0,0.032);(300.0,0.011);(301.0,0.022);(302.0,0.015);(303.0,0.035);(304.0,0.018);(305.0,0.045);(306.0,0.027);(307.0,0.074);(308.0,0.032);(309.0,0.058);(310.0,0.013);(311.0,0.04);(312.0,0.02);(313.0,0.027);(314.0,0.016);(315.0,0.03);(316.0,0.213);(317.0,0.116);(318.0,0.024);(319.0,0.035);(320.0,0.021);(321.0,0.069);(322.0,0.025);(323.0,0.072);(324.0,0.041);(325.0,0.048);(326.0,0.029);(327.0,0.049);(328.0,0.029);(329.0,0.018);(330.0,0.012);(331.0,0.031);(332.0,0.012);(333.0,0.019);(334.0,0.011);(335.0,0.033);(336.0,0.026);(337.0,0.062);(338.0,0.033);(339.0,0.051);(340.0,0.031);(341.0,0.053);(342.0,0.027);(343.0,0.021);(344.0,0.011);(345.0,0.01);(346.0,0.008);(347.0,0.026);(348.0,0.016);(349.0,0.03);(350.0,0.021);(351.0,0.04);(352.0,0.027);(353.0,0.073);(354.0,0.044);(355.0,0.058);(356.0,0.025);(357.0,0.051);(358.0,0.011);(359.0,0.018);(360.0,0.008);(361.0,0.017);(362.0,0.013);(363.0,0.026);(364.0,0.017);(365.0,0.04);(366.0,0.03);(367.0,0.058);(368.0,0.096);(369.0,0.134);(370.0,0.053);(371.0,0.036);(372.0,0.011);(373.0,0.024);(374.0,0.017);(375.0,0.073);(376.0,0.044);(377.0,0.031);(378.0,0.036);(379.0,0.07);(380.0,0.027);(381.0,0.064);(382.0,0.038);(383.0,0.052);(384.0,0.028);(385.0,0.038);(386.0,0.025);(387.0,0.016);(388.0,0.01);(389.0,0.013);(390.0,0.008);(391.0,0.012);(392.0,0.025);(393.0,0.142);(394.0,0.069);(395.0,0.073);(396.0,0.048);(397.0,0.057);(398.0,0.036);(399.0,0.06);(400.0,0.022);(401.0,0.034);(402.0,0.014);(403.0,0.007);(404.0,0.01);(405.0,0.016);(406.0,0.018);(407.0,0.029);(408.0,0.024);(409.0,0.033);(410.0,0.031);(411.0,0.052);(412.0,0.032);(413.0,0.049);(414.0,0.036);(415.0,0.042);(416.0,0.015);(417.0,0.014);(418.0,0.003);(419.0,0.017);(420.0,0.008);(421.0,0.012);(422.0,0.012);(423.0,0.028);(424.0,0.017);(425.0,0.034);(426.0,0.036);(427.0,0.04);(428.0,0.039);(429.0,0.052);(430.0,0.037);(431.0,0.043);(432.0,0.011);(433.0,0.008);(434.0,0.011);(435.0,0.008);(436.0,0.016);(437.0,0.015);(438.0,0.02);(439.0,0.027);(440.0,0.021);(441.0,0.045);(442.0,0.035);(443.0,0.043);(444.0,0.026);(445.0,0.031);(446.0,0.016);(447.0,0.011);(448.0,0.013);(449.0,0.005);(450.0,0.006);(451.0,0.007);(452.0,0.01);(453.0,0.026);(454.0,0.026);(455.0,0.055);(456.0,0.046);(457.0,0.059);(458.0,0.041);(459.0,0.035);(460.0,0.012);(461.0,0.011);(462.0,0.003);(463.0,0.001);(465.0,0.011);(466.0,0.016);(467.0,0.022);(468.0,0.025);(469.0,0.052);(470.0,0.045);(471.0,0.078);(472.0,0.057);(473.0,0.068);(474.0,0.037);(475.0,0.027);(476.0,0.009);(477.0,0.003);(478.0,0.008);(479.0,0.009);(480.0,0.009);(481.0,0.024);(482.0,0.024);(483.0,0.044);(484.0,0.05);(485.0,0.07);(486.0,0.047);(487.0,0.078);(488.0,0.055);(489.0,0.036);(490.0,0.02);(491.0,0.002);(492.0,0.003);(493.0,0.006);(494.0,0.004);(495.0,0.009);(496.0,0.014);(497.0,0.029);(498.0,0.042);(499.0,0.064);(500.0,0.06);(501.0,0.091);(502.0,0.082);(503.0,0.188);(504.0,0.111);(505.0,0.089);(506.0,0.034);(507.0,0.018);(508.0,0.006);(509.0,0.011);(510.0,0.005);(511.0,0.012);(512.0,0.018);(513.0,0.023);(514.0,0.031);(515.0,0.038);(516.0,0.05);(517.0,0.051);(518.0,0.025);(519.0,0.025);(520.0,0.007);(521.0,0.004);(522.0,0.006);(523.0,0.009);(524.0,0.013);(525.0,0.013);(526.0,0.014);(527.0,0.029);(528.0,0.038);(529.0,0.046);(530.0,0.04);(531.0,0.047);(532.0,0.024);(533.0,0.018);(534.0,0.014);(535.0,0.009);(537.0,0.004);(538.0,0.002);(539.0,0.004);(540.0,0.019);(541.0,0.035);(542.0,0.038);(543.0,0.063);(544.0,0.061);(545.0,0.093);(546.0,0.091);(547.0,0.059);(548.0,0.037);(549.0,0.018);(550.0,0.01);(551.0,0.004);(552.0,0.004);(553.0,0.017);(554.0,0.008);(555.0,0.032);(556.0,0.05);(557.0,0.118);(558.0,0.119);(559.0,0.135);(560.0,0.088);(561.0,0.06);(562.0,0.04);(563.0,0.026);(564.0,0.007);(566.0,0.002);(567.0,0.005);(568.0,0.008);(569.0,0.025);(570.0,0.033);(571.0,0.089);(572.0,0.11);(573.0,0.164);(574.0,0.192);(575.0,0.364);(576.0,0.288);(577.0,0.222);(578.0,0.155);(579.0,0.076);(580.0,0.033);(581.0,0.016);(582.0,0.006);(583.0,0.002);(584.0,0.002);(585.0,0.011);(586.0,0.014);(587.0,0.036);(588.0,0.031);(589.0,0.046);(590.0,0.043);(591.0,0.035);(592.0,0.031);(593.0,0.013);(594.0,0.01);(597.0,0.002);(598.0,0.005);(600.0,0.005)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,6.006006);(86.0,2.102102);(87.0,6.706707);(88.0,3.803804);(89.0,9.309309);(90.0,2.502503);(91.0,7.507508);(92.0,2.502503);(93.0,4.504505);(94.0,0.1001);(95.0,1.501502);(96.0,1.701702);(97.0,3.903904);(98.0,2.102102);(99.0,11.111111);(100.0,1.601602);(101.0,3.403403);(102.0,2.902903);(103.0,15.615616);(104.0,3.303303);(105.0,13.313313);(106.0,0.900901);(107.0,6.006006);(108.0,1.201201);(109.0,3.503504);(110.0,0.3003);(111.0,3.803804);(112.0,0.3003);(113.0,3.303303);(114.0,0.3003);(115.0,14.914915);(116.0,2.302302);(117.0,9.309309);(118.0,2.202202);(119.0,13.313313);(120.0,2.802803);(121.0,4.404404);(122.0,1.001001);(123.0,2.102102);(124.0,0.500501);(125.0,1.101101);(126.0,1.201201);(127.0,3.403403);(128.0,4.404404);(129.0,6.906907);(130.0,2.102102);(131.0,23.723724);(132.0,4.204204);(133.0,62.562563);(134.0,9.50951);(135.0,14.514515);(136.0,2.402402);(137.0,3.403403);(138.0,1.901902);(139.0,4.204204);(140.0,1.101101);(141.0,5.205205);(142.0,1.601602);(143.0,5.005005);(144.0,0.900901);(145.0,6.406406);(146.0,1.101101);(147.0,100.0);(148.0,18.418418);(149.0,16.616617);(150.0,4.604605);(151.0,5.905906);(152.0,4.604605);(153.0,4.404404);(154.0,1.701702);(155.0,3.303303);(156.0,1.301301);(157.0,4.104104);(158.0,1.201201);(159.0,3.103103);(160.0,1.101101);(161.0,4.104104);(162.0,1.701702);(163.0,8.008008);(164.0,3.403403);(165.0,11.711712);(166.0,4.104104);(167.0,5.105105);(168.0,1.601602);(169.0,2.802803);(170.0,1.201201);(171.0,3.303303);(172.0,1.001001);(173.0,2.602603);(174.0,1.501502);(175.0,3.603604);(176.0,4.204204);(177.0,10.41041);(178.0,6.406406);(179.0,24.924925);(180.0,5.805806);(181.0,6.906907);(182.0,1.701702);(183.0,1.501502);(185.0,2.702703);(187.0,2.802803);(188.0,1.001001);(189.0,11.411411);(190.0,5.205205);(191.0,20.820821);(192.0,6.906907);(193.0,27.327327);(194.0,6.606607);(195.0,8.008008);(196.0,1.601602);(197.0,1.801802);(198.0,1.301301);(199.0,1.601602);(200.0,2.102102);(201.0,2.702703);(202.0,5.805806);(203.0,7.607608);(204.0,2.002002);(205.0,6.806807);(206.0,2.302302);(207.0,25.125125);(208.0,7.107107);(209.0,8.708709);(210.0,2.602603);(211.0,2.802803);(212.0,0.4004);(213.0,2.202202);(214.0,1.201201);(215.0,4.004004);(216.0,1.501502);(217.0,5.305305);(218.0,1.801802);(219.0,5.005005);(220.0,2.202202);(221.0,6.206206);(222.0,2.402402);(223.0,6.606607);(224.0,2.602603);(225.0,2.702703);(226.0,1.701702);(227.0,2.202202);(228.0,1.201201);(229.0,1.701702);(230.0,0.900901);(231.0,2.602603);(232.0,0.3003);(233.0,2.202202);(234.0,2.102102);(235.0,5.205205);(236.0,2.502503);(237.0,6.506507);(238.0,2.502503);(239.0,3.303303);(240.0,1.901902);(241.0,2.002002);(242.0,1.401401);(243.0,1.901902);(244.0,0.900901);(245.0,1.601602);(246.0,0.700701);(247.0,2.502503);(248.0,1.501502);(249.0,6.106106);(250.0,2.702703);(251.0,11.211211);(252.0,2.902903);(253.0,8.408408);(254.0,3.503504);(255.0,2.702703);(256.0,1.101101);(257.0,2.302302);(258.0,0.700701);(259.0,1.501502);(260.0,0.4004);(261.0,3.003003);(262.0,1.101101);(263.0,2.902903);(264.0,2.102102);(265.0,5.105105);(266.0,2.902903);(267.0,6.306306);(268.0,2.302302);(269.0,3.203203);(270.0,0.500501);(271.0,1.401401);(272.0,1.001001);(273.0,1.801802);(274.0,0.800801);(275.0,2.702703);(276.0,0.3003);(277.0,3.403403);(278.0,2.602603);(279.0,5.405405);(280.0,1.901902);(281.0,8.408408);(282.0,2.702703);(283.0,3.403403);(284.0,0.700701);(285.0,1.301301);(286.0,1.301301);(287.0,0.900901);(288.0,0.4004);(289.0,1.401401);(290.0,1.401401);(291.0,2.802803);(292.0,1.601602);(293.0,3.803804);(294.0,1.601602);(295.0,7.407407);(296.0,2.602603);(297.0,2.602603);(298.0,1.301301);(299.0,1.701702);(301.0,1.701702);(302.0,0.500501);(303.0,2.302302);(304.0,1.701702);(305.0,2.302302);(306.0,1.501502);(307.0,3.303303);(308.0,2.102102);(309.0,3.403403);(310.0,1.501502);(311.0,2.402402);(312.0,1.501502);(313.0,1.401401);(314.0,0.700701);(315.0,2.802803);(316.0,17.117117);(317.0,10.11011);(318.0,1.901902);(319.0,1.501502);(320.0,1.501502);(321.0,2.902903);(322.0,1.401401);(323.0,4.604605);(324.0,3.703704);(325.0,3.803804);(326.0,1.701702);(327.0,4.404404);(328.0,1.201201);(329.0,1.401401);(330.0,0.900901);(331.0,1.501502);(332.0,0.600601);(333.0,0.900901);(334.0,0.3003);(335.0,2.002002);(336.0,1.501502);(337.0,4.104104);(338.0,1.401401);(339.0,2.702703);(340.0,1.701702);(341.0,2.702703);(342.0,1.001001);(343.0,1.501502);(344.0,0.700701);(345.0,0.700701);(346.0,1.301301);(347.0,1.001001);(348.0,0.700701);(349.0,1.201201);(350.0,1.301301);(351.0,2.702703);(352.0,1.901902);(353.0,3.103103);(354.0,2.702703);(355.0,3.903904);(356.0,1.901902);(357.0,2.902903);(358.0,1.701702);(359.0,1.401401);(360.0,1.201201);(361.0,0.900901);(362.0,0.900901);(363.0,0.600601);(364.0,0.900901);(365.0,1.901902);(366.0,1.901902);(367.0,4.804805);(368.0,7.107107);(369.0,6.906907);(370.0,2.602603);(371.0,2.902903);(372.0,1.001001);(373.0,1.401401);(374.0,0.500501);(375.0,4.804805);(376.0,3.303303);(377.0,1.801802);(378.0,1.801802);(379.0,3.103103);(380.0,1.801802);(381.0,3.803804);(382.0,2.102102);(383.0,2.702703);(384.0,1.201201);(385.0,3.103103);(386.0,1.601602);(387.0,1.401401);(388.0,0.600601);(389.0,0.700701);(390.0,1.001001);(391.0,0.600601);(392.0,1.501502);(393.0,7.607608);(394.0,4.704705);(395.0,4.304304);(396.0,2.602603);(397.0,3.503504);(398.0,2.202202);(399.0,4.704705);(400.0,1.801802);(401.0,1.501502);(402.0,0.900901);(403.0,0.700701);(405.0,0.700701);(406.0,0.3003);(407.0,1.301301);(408.0,0.800801);(409.0,1.801802);(410.0,1.501502);(411.0,3.003003);(412.0,2.802803);(413.0,3.303303);(414.0,2.202202);(415.0,1.901902);(416.0,1.801802);(417.0,0.900901);(419.0,0.600601);(420.0,0.800801);(421.0,0.600601);(422.0,0.900901);(423.0,1.301301);(424.0,0.800801);(425.0,2.202202);(426.0,2.102102);(427.0,3.303303);(428.0,2.402402);(429.0,3.903904);(430.0,2.302302);(431.0,2.402402);(432.0,1.701702);(433.0,0.900901);(435.0,0.500501);(436.0,0.700701);(437.0,0.800801);(438.0,0.3003);(439.0,1.401401);(440.0,0.900901);(441.0,2.302302);(442.0,2.302302);(443.0,2.502503);(444.0,1.101101);(445.0,1.501502);(446.0,0.600601);(447.0,0.700701);(448.0,0.800801);(449.0,0.500501);(450.0,0.2002);(451.0,0.900901);(452.0,0.700701);(453.0,1.301301);(454.0,1.701702);(455.0,2.402402);(456.0,2.802803);(457.0,3.303303);(458.0,2.402402);(459.0,2.102102);(460.0,1.201201);(461.0,0.4004);(463.0,0.4004);(464.0,0.500501);(465.0,0.500501);(467.0,1.501502);(468.0,1.301301);(469.0,1.901902);(470.0,2.602603);(471.0,4.604605);(472.0,3.103103);(473.0,3.703704);(474.0,2.302302);(475.0,1.601602);(476.0,0.700701);(477.0,0.600601);(480.0,0.4004);(481.0,0.700701);(482.0,1.401401);(483.0,1.401401);(484.0,2.102102);(485.0,4.004004);(486.0,2.902903);(487.0,4.504505);(488.0,2.902903);(489.0,2.402402);(490.0,1.401401);(491.0,0.4004);(492.0,0.4004);(494.0,0.2002);(495.0,0.700701);(496.0,0.800801);(497.0,1.301301);(498.0,2.202202);(499.0,2.502503);(500.0,3.203203)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.079);(71.0,0.096);(72.0,0.369);(76.0,0.173);(77.0,0.452);(79.0,0.05);(82.0,0.013);(83.0,0.11);(84.0,0.027);(85.0,0.09);(86.0,0.03);(87.0,0.087);(88.0,0.022);(89.0,0.075);(90.0,0.022);(91.0,0.125);(92.0,0.028);(93.0,0.054);(94.0,0.007);(95.0,0.025);(97.0,0.034);(99.0,0.127);(101.0,0.042);(102.0,0.024);(103.0,0.192);(104.0,0.035);(105.0,0.174);(106.0,0.02);(107.0,0.037);(108.0,0.015);(109.0,0.036);(110.0,0.018);(111.0,0.031);(112.0,0.007);(113.0,0.036);(114.0,0.012);(115.0,0.215);(116.0,0.034);(117.0,0.133);(118.0,0.029);(119.0,0.192);(120.0,0.032);(121.0,0.052);(122.0,0.018);(123.0,0.03);(124.0,0.01);(125.0,0.014);(126.0,0.017);(127.0,0.03);(128.0,0.058);(129.0,0.089);(130.0,0.01);(131.0,0.416);(132.0,0.067);(133.0,1.0);(134.0,0.131);(135.0,0.194);(136.0,0.024);(137.0,0.037);(138.0,0.013);(139.0,0.038);(141.0,0.063);(142.0,0.016);(143.0,0.07);(144.0,0.012);(145.0,0.088);(146.0,0.022);(150.0,0.055);(151.0,0.079);(152.0,0.062);(153.0,0.055);(154.0,0.016);(155.0,0.056);(156.0,0.009);(157.0,0.057);(158.0,0.009);(159.0,0.043);(160.0,0.016);(161.0,0.051);(162.0,0.026);(163.0,0.103);(164.0,0.043);(165.0,0.158);(166.0,0.037);(167.0,0.06);(168.0,0.015);(169.0,0.039);(170.0,0.014);(171.0,0.042);(172.0,0.008);(173.0,0.029);(175.0,0.042);(176.0,0.055);(177.0,0.143);(178.0,0.096);(179.0,0.428);(180.0,0.082);(181.0,0.092);(182.0,0.021);(183.0,0.048);(184.0,0.021);(185.0,0.024);(186.0,0.007);(187.0,0.023);(188.0,0.015);(189.0,0.181);(190.0,0.067);(191.0,0.347);(192.0,0.091);(193.0,0.469);(194.0,0.094);(195.0,0.126);(196.0,0.022);(197.0,0.043);(198.0,0.011);(199.0,0.02);(200.0,0.019);(201.0,0.033);(202.0,0.091);(203.0,0.095);(204.0,0.029);(205.0,0.103);(206.0,0.04);(207.0,0.458);(208.0,0.112);(209.0,0.12);(210.0,0.04);(211.0,0.032);(212.0,0.01);(213.0,0.035);(214.0,0.016);(215.0,0.066);(216.0,0.032);(217.0,0.059);(218.0,0.023);(219.0,0.081);(220.0,0.027);(221.0,0.109);(222.0,0.033);(223.0,0.093);(224.0,0.04);(225.0,0.05);(226.0,0.02);(227.0,0.03);(228.0,0.02);(229.0,0.034);(230.0,0.016);(231.0,0.04);(232.0,0.019);(233.0,0.057);(234.0,0.021);(235.0,0.068);(236.0,0.039);(237.0,0.097);(238.0,0.045);(239.0,0.058);(240.0,0.022);(241.0,0.035);(242.0,0.016);(243.0,0.025);(244.0,0.012);(245.0,0.024);(246.0,0.015);(247.0,0.048);(248.0,0.018);(249.0,0.111);(250.0,0.037);(251.0,0.174);(252.0,0.056);(253.0,0.138);(254.0,0.042);(255.0,0.044);(256.0,0.011);(257.0,0.028);(258.0,0.013);(259.0,0.025);(260.0,0.019);(261.0,0.031);(262.0,0.016);(263.0,0.043);(264.0,0.021);(265.0,0.102);(266.0,0.048);(267.0,0.083);(268.0,0.029);(269.0,0.041);(271.0,0.023);(272.0,0.015);(273.0,0.029);(274.0,0.011);(275.0,0.034);(276.0,0.016);(277.0,0.05);(278.0,0.016);(279.0,0.078);(280.0,0.033);(281.0,0.157);(282.0,0.047);(283.0,0.061);(284.0,0.013);(285.0,0.026);(286.0,0.012);(287.0,0.023);(288.0,0.017);(289.0,0.023);(290.0,0.024);(291.0,0.063);(292.0,0.03);(293.0,0.06);(294.0,0.029);(295.0,0.11);(296.0,0.031);(297.0,0.068);(298.0,0.027);(299.0,0.032);(300.0,0.011);(301.0,0.022);(302.0,0.015);(303.0,0.035);(304.0,0.018);(305.0,0.045);(306.0,0.027);(307.0,0.074);(308.0,0.032);(309.0,0.058);(310.0,0.013);(311.0,0.04);(312.0,0.02);(313.0,0.027);(314.0,0.016);(315.0,0.03);(316.0,0.213);(317.0,0.116);(318.0,0.024);(319.0,0.035);(320.0,0.021);(321.0,0.069);(322.0,0.025);(323.0,0.072);(324.0,0.041);(325.0,0.048);(326.0,0.029);(327.0,0.049);(328.0,0.029);(329.0,0.018);(330.0,0.012);(331.0,0.031);(332.0,0.012);(333.0,0.019);(334.0,0.011);(335.0,0.033);(336.0,0.026);(337.0,0.062);(338.0,0.033);(339.0,0.051);(340.0,0.031);(341.0,0.053);(342.0,0.027);(343.0,0.021);(344.0,0.011);(345.0,0.01);(346.0,0.008);(347.0,0.026);(348.0,0.016);(349.0,0.03);(350.0,0.021);(351.0,0.04);(352.0,0.027);(353.0,0.073);(354.0,0.044);(355.0,0.058);(356.0,0.025);(357.0,0.051);(358.0,0.011);(359.0,0.018);(360.0,0.008);(361.0,0.017);(362.0,0.013);(363.0,0.026);(364.0,0.017);(365.0,0.04);(366.0,0.03);(367.0,0.058);(368.0,0.096);(369.0,0.134);(370.0,0.053);(371.0,0.036);(372.0,0.011);(373.0,0.024);(374.0,0.017);(375.0,0.073);(376.0,0.044);(377.0,0.031);(378.0,0.036);(379.0,0.07);(380.0,0.027);(381.0,0.064);(382.0,0.038);(383.0,0.052);(384.0,0.028);(385.0,0.038);(386.0,0.025);(387.0,0.016);(388.0,0.01);(389.0,0.013);(390.0,0.008);(391.0,0.012);(392.0,0.025);(393.0,0.142);(394.0,0.069);(395.0,0.073);(396.0,0.048);(397.0,0.057);(398.0,0.036);(399.0,0.06);(400.0,0.022);(401.0,0.034);(402.0,0.014);(403.0,0.007);(404.0,0.01);(405.0,0.016);(406.0,0.018);(407.0,0.029);(408.0,0.024);(409.0,0.033);(410.0,0.031);(411.0,0.052);(412.0,0.032);(413.0,0.049);(414.0,0.036);(415.0,0.042);(416.0,0.015);(417.0,0.014);(418.0,0.003);(419.0,0.017);(420.0,0.008);(421.0,0.012);(422.0,0.012);(423.0,0.028);(424.0,0.017);(425.0,0.034);(426.0,0.036);(427.0,0.04);(428.0,0.039);(429.0,0.052);(430.0,0.037);(431.0,0.043);(432.0,0.011);(433.0,0.008);(434.0,0.011);(435.0,0.008);(436.0,0.016);(437.0,0.015);(438.0,0.02);(439.0,0.027);(440.0,0.021);(441.0,0.045);(442.0,0.035);(443.0,0.043);(444.0,0.026);(445.0,0.031);(446.0,0.016);(447.0,0.011);(448.0,0.013);(449.0,0.005);(450.0,0.006);(451.0,0.007);(452.0,0.01);(453.0,0.026);(454.0,0.026);(455.0,0.055);(456.0,0.046);(457.0,0.059);(458.0,0.041);(459.0,0.035);(460.0,0.012);(461.0,0.011);(462.0,0.003);(463.0,0.001);(465.0,0.011);(466.0,0.016);(467.0,0.022);(468.0,0.025);(469.0,0.052);(470.0,0.045);(471.0,0.078);(472.0,0.057);(473.0,0.068);(474.0,0.037);(475.0,0.027);(476.0,0.009);(477.0,0.003);(478.0,0.008);(479.0,0.009);(480.0,0.009);(481.0,0.024);(482.0,0.024);(483.0,0.044);(484.0,0.05);(485.0,0.07);(486.0,0.047);(487.0,0.078);(488.0,0.055);(489.0,0.036);(490.0,0.02);(491.0,0.002);(492.0,0.003);(493.0,0.006);(494.0,0.004);(495.0,0.009);(496.0,0.014);(497.0,0.029);(498.0,0.042);(499.0,0.064);(500.0,0.06);(501.0,0.091);(502.0,0.082);(503.0,0.188);(504.0,0.111);(505.0,0.089);(506.0,0.034);(507.0,0.018);(508.0,0.006);(509.0,0.011);(510.0,0.005);(511.0,0.012);(512.0,0.018);(513.0,0.023);(514.0,0.031);(515.0,0.038);(516.0,0.05);(517.0,0.051);(518.0,0.025);(519.0,0.025);(520.0,0.007);(521.0,0.004);(522.0,0.006);(523.0,0.009);(524.0,0.013);(525.0,0.013);(526.0,0.014);(527.0,0.029);(528.0,0.038);(529.0,0.046);(530.0,0.04);(531.0,0.047);(532.0,0.024);(533.0,0.018);(534.0,0.014);(535.0,0.009);(537.0,0.004);(538.0,0.002);(539.0,0.004);(540.0,0.019);(541.0,0.035);(542.0,0.038);(543.0,0.063);(544.0,0.061);(545.0,0.093);(546.0,0.091);(547.0,0.059);(548.0,0.037);(549.0,0.018);(550.0,0.01);(551.0,0.004);(552.0,0.004);(553.0,0.017);(554.0,0.008);(555.0,0.032);(556.0,0.05);(557.0,0.118);(558.0,0.119);(559.0,0.135);(560.0,0.088);(561.0,0.06);(562.0,0.04);(563.0,0.026);(564.0,0.007);(566.0,0.002);(567.0,0.005);(568.0,0.008);(569.0,0.025);(570.0,0.033);(571.0,0.089);(572.0,0.11);(573.0,0.164);(574.0,0.192);(575.0,0.364);(576.0,0.288);(577.0,0.222);(578.0,0.155);(579.0,0.076);(580.0,0.033);(581.0,0.016);(582.0,0.006);(583.0,0.002);(584.0,0.002);(585.0,0.011);(586.0,0.014);(587.0,0.036);(588.0,0.031);(589.0,0.046);(590.0,0.043);(591.0,0.035);(592.0,0.031);(593.0,0.013);(594.0,0.01);(597.0,0.002);(598.0,0.005);(600.0,0.005)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(110.0362272,2.271310466);(124.0154921,2.032471413);(125.0233167,1.455223555);(136.0154921,8.511430259);(137.0233167,5.327128453);(138.0311413,4.481479004);(139.0389659,2.185226639);(140.0467905,1.392829882);(152.0104062,3.336534843);(153.0182308,2.564647763);(154.0260554,1.923970373);(164.0104062,2.266667514);(165.0182308,3.821307006);(166.0260554,4.835144594);(167.03388,2.351446916);(168.0417046,1.446972232);(246.0158836,1.361973731);(247.0237082,1.599961862);(248.0315328,1.870658758);(260.0315328,1.817169015);(261.0393574,1.369517487);(262.047182,1.812421209);(274.0107977,2.820845219);(276.0264469,1.472893372);(288.0264469,5.402550828);(289.0342715,5.402352338);(290.0420961,8.671030868);(291.0454929,1.394643254);(300.0264469,4.855467114);(301.0342715,3.731283887);(318.0370102,6.213440149)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,5.522229179);(193.0315421,2.85818943);(206.0393667,0.8605225737);(208.0550159,1.077305311);(209.0628405,7.490997831);(210.0650785,1.240872206);(225.0577546,1.743362648);(369.1368022,3.35187687);(370.1384913,1.129099113);(439.1606768,3.650571405);(440.1622538,1.540438748);(455.1919752,1.348478794);(577.1923667,0.8387158047);(589.1923667,0.8924381243);(604.1794562,0.8515712687);(605.1872808,3.339100567);(606.1891836,1.716040701);(606.1951054,3.600925255);(607.18779,0.921631822);(607.1970095,1.851138659);(607.20293,1.662796098);(608.1956167,0.9941762091);(608.2048354,0.8550481327);(635.2162413,2.321263331);(636.2179725,1.337689434);(650.2397151,1.126611147);(662.2033308,0.9129482315);(663.2111554,8.392631817);(664.2129191,4.933569069);(665.2115612,2.928515994);(666.2120622,1.083690685)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(110.0362272,1.449018715);(124.0154921,1.293466733);(125.0233167,0.9261056496);(136.0154921,3.767889049);(137.0233167,4.533373739);(138.0311413,2.877295858);(139.0389659,1.098472685);(152.0104062,2.626330303);(153.0182308,2.272863312);(154.0260554,1.673702274);(155.03388,0.9542776439);(164.0104062,1.571918148);(165.0182308,1.748592569);(166.0260554,3.085359375);(167.03388,1.515528734);(168.0417046,1.06918225);(260.0315328,1.520625525);(261.0393574,1.234201381);(262.047182,1.87931625);(271.9951485,0.8449288301);(274.0107977,1.841534969);(276.0264469,0.9604078239);(286.0107977,0.8310250919);(287.0186223,1.086016328);(288.0264469,3.853752575);(289.0342715,4.041696819);(290.0420961,6.355790954);(291.0454929,1.022261495);(300.0264469,3.476237032);(301.0342715,2.979158975);(318.0370102,3.879309991)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(317.0435,0.0780780781);(318.0351,0.028028028);(319.0529,1.0);(320.0716,0.1621621622);(321.0323,0.043043043);(667.0696,0.011011011);(690.0396,0.013013013)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(63.0217,0.014014014);(65.001,0.028028028);(81.0332,0.014014014);(83.0126,0.038038038);(107.0133,0.1091091091);(109.029,0.1521521522);(125.0244,0.014014014);(137.0243,0.2822822823);(151.0035,0.3883883884);(152.0087,0.011011011);(163.0039,0.011011011);(165.0193,0.029029029);(178.9984,0.2542542543);(192.0064,0.019019019);(193.0142,0.015015015);(227.0356,0.01001001);(271.0251,0.026026026);(317.0298,1.0);(317.3016,0.018018018);(317.9336,0.013013013);(318.0334,0.042042042)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(63.0476,0.0750750751);(65.016,0.1271271271);(81.0829,0.0500500501);(83.0485,0.1761761762);(96.0001,0.028028028);(107.0459,0.5765765766);(107.9812,0.0910910911);(109.0522,0.6566566567);(109.8396,0.0720720721);(110.7127,0.027027027);(119.0094,0.024024024);(120.7409,0.02002002);(124.0613,0.036036036);(125.0505,0.048048048);(135.0691,0.022022022);(136.0947,0.047047047);(137.0549,0.958958959);(137.8844,0.1301301301);(138.8201,0.034034034);(149.1037,0.035035035);(150.0721,0.039039039);(151.0301,1.0);(151.9063,0.1351351351);(152.7854,0.034034034);(155.0129,0.033033033);(160.9766,0.02002002);(163.0161,0.032032032);(164.0027,0.0520520521);(165.0496,0.1031031031);(179.0262,0.1001001001);(183.0177,0.025025025);(191.0847,0.024024024);(193.033,0.021021021);(199.0629,0.023023023);(227.0459,0.031031031);(243.0653,0.023023023);(271.0282,0.0790790791)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(68.9871,0.1011011011);(109.0248,0.1001001001);(111.0042,0.1091091091);(121.026,0.031031031);(121.0632,0.032032032);(125.0214,0.0620620621);(137.0223,0.1841841842);(139.038,0.031031031);(147.0434,0.045045045);(153.0181,1.0);(153.0817,0.1091091091);(161.0594,0.0610610611);(165.0183,0.1811811812);(166.0269,0.042042042);(171.0443,0.0700700701);(175.0395,0.038038038);(177.0549,0.034034034);(179.034,0.1311311311);(189.0548,0.1371371371);(195.03,0.041041041);(199.0402,0.0690690691);(203.0349,0.1161161161);(217.0503,0.4774774775);(217.1265,0.041041041);(219.0301,0.0540540541);(227.0354,0.0540540541);(231.0304,0.032032032);(244.0383,0.0500500501);(245.0451,0.4184184184);(245.1273,0.031031031);(255.0293,0.0610610611);(273.0399,0.1941941942);(290.0424,0.041041041);(319.0454,0.0680680681)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(68.9868,0.028028028);(109.0251,0.021021021);(111.0045,0.026026026);(115.0514,0.019019019);(137.0223,0.039039039);(153.018,0.1871871872);(165.0183,0.0560560561);(171.0442,0.015015015);(179.0347,0.024024024);(189.0563,0.019019019);(203.0351,0.019019019);(217.0506,0.0720720721);(245.0455,0.0800800801);(273.0403,0.0680680681);(290.0422,0.018018018);(301.035,0.015015015);(319.0454,1.0);(319.1353,0.0730730731);(320.0482,0.046046046)
LC-MS/MS	LC-ESI-ITTOF (LCMS-IT-TOF)	Positive	Not Available	View Spectrum	(202.9276,0.003003003);(218.208,0.003003003);(226.461,0.003003003);(227.1122,0.003003003);(245.0484,0.003003003);(252.139,0.003003003);(264.0721,0.008008008);(269.2662,0.003003003);(273.0322,0.006006006);(282.5294,0.003003003);(287.0376,0.006006006);(289.256,0.003003003);(290.041,0.003003003);(301.043,0.006006006);(302.0442,0.003003003);(303.0638,0.006006006);(317.0567,0.014014014);(318.067,0.003003003);(318.65,0.003003003);(319.0447,1.0);(319.2163,0.017017017);(319.3709,0.022022022);(319.5942,0.016016016);(319.7832,0.006006006);(320.041,0.1601601602);(321.0388,0.02002002);(322.0383,0.006006006);(323.1947,0.003003003);(337.5867,0.003003003);(339.0184,0.011011011);(351.2829,0.003003003);(394.2535,0.003003003);(410.9896,0.006006006);(412.9791,0.006006006);(415.992,0.003003003);(434.8402,0.003003003);(502.9872,0.003003003);(504.7776,0.003003003);(539.9132,0.003003003);(559.9235,0.003003003);(574.7554,0.003003003);(583.8915,0.003003003);(605.4262,0.003003003);(606.0648,0.003003003);(633.0441,0.003003003);(651.0624,0.025025025);(652.0681,0.006006006);(653.05,0.003003003);(657.059,0.003003003);(671.3987,0.003003003);(685.1132,0.003003003);(689.0427,0.003003003);(690.0015,0.03003003);(690.658,0.003003003);(691.0116,0.012012012);(691.9971,0.003003003);(725.1465,0.003003003);(737.5687,0.003003003);(749.0177,0.003003003);(751.8871,0.003003003);(766.7955,0.003003003);(816.1008,0.003003003);(822.0689,0.003003003);(841.9987,0.003003003);(931.7161,0.003003003);(1004.1755,0.003003003);(1008.0161,0.009009009);(1024.9897,0.003003003);(1056.8299,0.003003003);(1061.9909,0.003003003);(1091.6641,0.003003003);(1098.0553,0.003003003);(1183.4343,0.003003003);(1265.8477,0.003003003);(1348.1048,0.003003003);(1378.7621,0.003003003);(1409.8364,0.003003003);(1424.8141,0.003003003);(1458.6747,0.003003003);(1544.4617,0.003003003);(1545.5571,0.003003003);(1556.3429,0.003003003);(1569.9445,0.003003003);(1790.4111,0.003003003);(1827.5637,0.003003003);(1860.0381,0.003003003);(1877.3193,0.003003003);(1890.0819,0.003003003);(1904.7746,0.003003003);(1905.9492,0.003003003);(1948.6003,0.003003003);(1980.289,0.003003003)
LC-MS/MS	LC-ESI-ITTOF (LCMS-IT-TOF)	Negative	Not Available	View Spectrum	(287.0156,0.009009009);(315.0178,0.1461461461);(315.3248,0.006006006);(316.0249,0.021021021);(317.0336,1.0);(317.1876,0.017017017);(317.3416,0.02002002);(317.5813,0.014014014);(317.7869,0.006006006);(318.0267,0.1671671672);(319.0386,0.02002002);(333.023,0.023023023);(334.0234,0.007007007);(380.0286,0.021021021);(431.0143,0.1271271271);(431.6529,0.005005005);(432.0324,0.026026026);(433.0316,0.005005005);(483.0512,0.009009009);(497.0269,0.008008008);(515.033,0.021021021);(517.0195,0.005005005);(633.0557,0.0670670671);(634.0474,0.019019019);(635.064,0.4264264264);(635.5,0.009009009);(635.8392,0.005005005);(636.0573,0.1351351351);(637.0756,0.024024024);(638.0462,0.006006006);(649.0404,0.013013013);(651.0494,0.025025025);(687.9703,0.005005005)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(151.0044,24.0);(178.9992,35.0);(287.0184,63.0);(315.0136,999.0);(316.0166,138.0);(317.0272,80.0);(318.031,12.0);(333.0238,15.0);(351.0338,20.0);(631.0364,16.0);(665.0412,28.0);(681.0372,14.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(151.0044,24.0);(178.9992,35.0);(287.0184,63.0);(315.0136,999.0);(316.0166,138.0);(317.0272,80.0);(318.031,12.0);(333.0238,15.0);(351.0338,20.0);(631.0364,16.0);(665.0412,28.0);(681.0372,14.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(315.0132,999.0);(316.0163,129.0);(317.028,195.0);(318.0309,30.0);(333.0239,31.0);(351.0338,42.0);(631.0319,21.0);(633.0481,41.0);(649.0436,22.0);(666.0238,23.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(151.0044,24.0);(178.9992,35.0);(287.0184,63.0);(315.0136,999.0);(316.0166,138.0);(317.0272,80.0);(318.031,12.0);(333.0238,15.0);(351.0338,20.0);(631.0364,16.0);(665.0412,28.0);(681.0372,14.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(287.0161,175.0);(315.012,999.0);(316.0151,258.0);(317.0264,494.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(287.0176,999.0);(288.0219,267.0);(315.0134,640.0);(316.0163,159.0);(317.0273,499.0);(318.0326,150.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(315.0132,999.0);(316.0163,129.0);(317.028,195.0);(318.0309,30.0);(333.0239,31.0);(351.0338,42.0);(631.0319,21.0);(633.0481,41.0);(649.0436,22.0);(666.0238,23.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(45.00341,96.0);(45.567299,136.0);(46.011753,92.0);(47.807014,128.0);(47.955761,44.0);(49.207069,176.0);(49.532135,228.0);(49.661877,176.0);(50.99905,120.0);(51.138443,188.0);(51.262348,224.0);(52.00462,136.0);(52.073536,156.0);(52.200008,176.0);(52.378475,148.0);(54.065689,48.0);(54.529144,108.0);(55.176277,180.0);(57.695587,128.0);(58.687035,152.0);(60.83646,108.0);(61.166019,156.0);(62.276222,116.0);(62.422382,136.0);(62.554546,188.0);(63.540703,68.0);(63.804344,168.0);(64.587349,84.0);(65.015144,208.0);(65.039215,68.0);(65.092201,140.0);(65.203049,192.0);(65.37352,228.0);(66.779465,144.0);(67.655746,184.0);(68.498199,44.0);(68.516319,220.0);(69.071007,88.0);(70.922684,152.0);(72.378304,172.0);(72.420639,144.0);(72.481628,272.0);(72.657967,72.0);(73.307503,148.0);(73.452423,164.0);(73.59066,84.0);(73.631645,248.0);(75.643448,116.0);(75.726562,136.0);(75.759476,164.0);(76.649063,48.0);(77.401939,168.0);(77.64904,100.0);(77.770103,160.0);(78.343361,76.0);(79.255035,176.0);(79.270988,160.0);(79.299339,208.0);(79.336563,156.0);(79.963608,156.0);(80.300346,124.0);(80.762337,120.0);(81.334557,124.0);(81.803734,124.0);(82.295921,32.0);(82.970787,192.0);(83.181221,184.0);(83.253853,220.0);(83.788628,204.0);(84.199059,108.0);(85.022919,112.0);(85.081657,124.0);(85.259834,136.0);(88.055656,204.0);(88.216347,48.0);(88.648712,156.0);(89.239998,120.0);(89.663551,220.0);(90.517456,136.0);(91.035156,140.0);(91.130127,60.0);(93.028549,204.0);(93.842361,132.0);(94.077736,156.0);(94.156906,196.0);(95.008606,180.0);(95.362022,228.0);(95.589569,224.0);(96.07473,88.0);(96.801834,156.0);(97.023239,80.0);(97.036964,176.0);(97.209579,184.0);(97.724403,148.0);(98.116341,40.0);(98.165634,116.0);(99.646248,120.0);(100.386719,176.0);(100.769966,192.0);(100.789948,108.0);(102.211647,224.0);(102.547966,148.0);(103.051064,332.0);(103.065575,132.0);(103.313286,52.0);(105.03392,232.0);(105.064781,184.0);(105.67131,168.0);(106.044014,104.0);(107.017754,128.0);(108.018333,200.0);(108.200821,144.0);(109.022858,160.0);(109.95108,80.0);(110.333344,172.0);(110.626228,68.0);(110.653442,104.0);(111.010902,516.0);(111.047409,600.0);(111.217361,48.0);(111.29924,52.0);(112.014313,148.0);(112.088051,92.0);(112.176575,76.0);(113.41317,80.0);(113.53614,104.0);(114.003197,128.0);(115.050453,108.0);(115.478539,272.0);(116.290588,96.0);(116.352837,236.0);(117.361931,160.0);(117.454666,120.0);(118.908691,88.0);(119.093239,128.0);(120.02034,212.0);(121.026566,336.0);(121.064323,156.0);(122.028191,184.0);(122.375832,240.0);(123.042412,180.0);(123.587601,84.0);(123.842186,144.0);(123.890923,244.0);(124.010162,232.0);(125.020401,296.0);(126.029053,144.0);(126.151978,132.0);(127.007385,184.0);(127.035416,188.0);(127.126297,140.0);(128.041306,160.0);(128.792374,168.0);(129.050003,228.0);(130.310211,176.0);(130.36702,108.0);(130.614838,96.0);(130.803711,188.0);(131.052155,204.0);(131.159058,220.0);(131.994659,140.0);(133.028244,288.0);(133.057816,260.0);(133.145081,248.0);(133.556488,116.0);(134.092972,124.0);(135.040558,136.0);(135.28952,188.0);(135.588318,80.0);(136.001175,48.0);(136.019745,144.0);(136.792786,104.0);(137.022034,1120.0);(137.065201,176.0);(137.348434,60.0);(137.371765,208.0);(137.544434,48.0);(137.883118,160.0);(137.90416,92.0);(138.02565,124.0);(138.166061,160.0);(138.526581,140.0);(139.039841,312.0);(139.547485,92.0);(142.024796,180.0);(143.030548,240.0);(143.050537,220.0);(143.437241,136.0);(143.537384,188.0);(143.558838,204.0);(144.279938,48.0);(144.464096,80.0);(145.057846,216.0);(145.146683,160.0);(145.624268,208.0);(145.910233,172.0);(146.011215,180.0);(146.699875,132.0);(147.006195,372.0);(147.043625,508.0);(147.95369,56.0);(148.086884,64.0);(148.5159,200.0);(149.020996,512.0);(149.059158,188.0);(150.026001,184.0);(150.24794,144.0);(150.543274,208.0);(151.421265,52.0);(152.016998,192.0);(152.69014,40.0);(153.018127,7120.0);(153.05928,196.0);(153.202133,152.0);(153.347519,104.0);(153.616287,40.0);(154.022018,492.0);(154.936432,112.0);(155.029648,148.0);(155.072723,88.0);(155.174362,92.0);(155.295868,172.0);(156.17514,152.0);(157.231552,224.0);(158.612228,100.0);(160.051041,276.0);(160.72229,108.0);(161.028061,236.0);(161.058701,500.0);(161.325928,204.0);(162.820908,124.0);(163.03392,272.0);(163.156326,92.0);(164.039703,204.0);(164.57547,116.0);(164.81813,128.0);(165.01709,1392.0);(165.076309,36.0);(166.022934,212.0);(166.175186,48.0);(166.4216,200.0);(167.030685,200.0);(167.280289,56.0);(168.025085,148.0);(168.399384,96.0);(168.487213,52.0);(168.673279,136.0);(169.12854,168.0);(170.274567,104.0);(171.043716,688.0);(171.221252,88.0);(171.487,192.0);(172.04657,320.0);(172.105286,200.0);(173.024612,208.0);(173.057037,160.0);(174.297729,156.0);(174.994766,68.0);(175.034088,184.0);(175.321396,188.0);(175.76178,220.0);(176.033676,160.0);(177.012115,152.0);(177.056519,360.0);(177.337982,88.0);(177.977325,92.0);(178.027786,192.0);(178.059647,172.0);(178.86264,184.0);(179.03685,1144.0);(179.055679,200.0);(179.507385,192.0);(179.638077,48.0);(180.030441,172.0);(181.086853,148.0);(181.127029,80.0);(181.872467,180.0);(183.029327,264.0);(183.13353,72.0);(183.289795,40.0);(184.320587,176.0);(185.018402,192.0);(187.039536,180.0);(187.99205,148.0);(189.014069,140.0);(189.054001,1228.0);(189.391876,56.0);(190.047089,148.0);(190.469879,56.0);(190.552292,132.0);(191.030655,356.0);(192.040207,256.0);(192.146408,68.0);(192.174011,80.0);(192.974991,172.0);(193.019073,356.0);(193.045593,360.0);(194.010452,148.0);(195.027039,356.0);(195.468643,164.0);(196.02713,452.0);(196.145432,40.0);(196.256943,184.0);(196.29599,80.0);(196.753586,52.0);(199.038269,448.0);(200.037918,512.0);(201.05249,120.0);(201.471832,136.0);(202.008499,148.0);(202.306091,136.0);(202.5298,60.0);(202.654449,128.0);(202.739471,116.0);(203.03273,1088.0);(204.035339,300.0);(204.042999,160.0);(204.400742,40.0);(205.019455,212.0);(205.041229,332.0);(205.512024,72.0);(206.057724,156.0);(206.660645,136.0);(207.02948,212.0);(207.069199,280.0);(207.37085,60.0);(208.034271,500.0);(208.076538,160.0);(209.026443,164.0);(209.479965,40.0);(210.220963,44.0);(210.36528,84.0);(212.712982,196.0);(216.040573,144.0);(216.585449,136.0);(216.784683,200.0);(217.010391,164.0);(217.049271,3340.0);(217.447479,96.0);(217.785141,84.0);(217.840942,40.0);(217.893829,36.0);(218.008423,168.0);(218.054855,596.0);(218.353104,84.0);(218.740799,176.0);(218.808502,128.0);(219.025726,836.0);(219.048065,192.0);(219.203201,104.0);(220.027252,200.0);(220.436691,36.0);(220.637695,96.0);(221.012451,164.0);(221.05014,224.0);(221.131683,36.0);(222.020447,180.0);(222.031219,176.0);(222.388397,88.0);(222.557617,80.0);(223.018097,116.0);(224.814026,152.0);(225.016998,104.0);(227.033585,928.0);(228.03981,164.0);(229.053604,164.0);(229.336853,152.0);(229.928009,136.0);(230.0578,140.0);(230.24501,52.0);(231.024078,316.0);(231.182205,128.0);(232.031876,376.0);(233.040543,176.0);(233.077484,64.0);(233.320633,156.0);(234.002151,136.0);(234.051941,192.0);(235.017395,132.0);(235.056778,180.0);(236.064575,124.0);(237.02301,68.0);(237.056717,128.0);(239.000488,144.0);(243.023682,136.0);(243.961487,92.0);(244.033539,256.0);(244.717514,116.0);(244.790817,204.0);(245.043655,2488.0);(245.144257,44.0);(245.353104,52.0);(245.652481,48.0);(245.995743,196.0);(246.047852,500.0);(247.014481,160.0);(247.389999,52.0);(247.715683,144.0);(248.025909,188.0);(249.0457,176.0);(253.117233,104.0);(255.028732,268.0);(255.12883,28.0);(256.038879,168.0);(256.867584,168.0);(257.030304,140.0);(258.052429,128.0);(258.881195,76.0);(259.018921,124.0);(261.021027,192.0);(261.030518,156.0);(262.048401,168.0);(263.056732,468.0);(263.813782,48.0);(270.016937,108.0);(271.403259,136.0);(272.034668,96.0);(272.157928,68.0);(272.187469,116.0);(272.263,172.0);(272.884064,100.0);(273.041107,2404.0);(273.212952,56.0);(273.433441,60.0);(273.983337,64.0);(274.035614,252.0);(274.25354,36.0);(275.049805,180.0);(279.779053,236.0);(283.031067,96.0);(284.019745,136.0);(285.044525,344.0);(290.040619,352.0);(291.041534,212.0);(291.331635,136.0);(291.545715,72.0);(292.052307,168.0);(296.038666,132.0);(296.744537,140.0);(297.135529,152.0);(299.607452,80.0);(300.027924,196.0);(300.811035,104.0);(301.036469,120.0);(302.044678,100.0);(302.619507,192.0);(302.92392,104.0);(305.757263,124.0);(307.747742,60.0);(308.058563,84.0);(311.0,112.0);(317.027557,292.0);(317.935425,144.0);(318.034821,68.0);(318.393402,160.0);(318.485748,208.0);(318.599426,144.0);(318.823273,144.0);(318.954803,44.0);(319.042664,4100.0);(319.200104,52.0);(319.498871,76.0);(320.04776,340.0);(320.570648,32.0);(321.046844,340.0);(321.155334,60.0);(321.744141,60.0);(322.158417,52.0);(322.594391,84.0);(408.955444,120.0);(495.674622,84.0);(534.585022,32.0);(555.714661,48.0);(739.90625,56.0);(746.17804,64.0);(898.236633,52.0);(910.09259,64.0);(982.112,116.0);(1029.252441,108.0);(1055.922607,252.0);(1067.986694,192.0);(1070.954834,180.0);(1143.600098,120.0);(1151.394165,184.0);(1202.997559,192.0);(1222.209961,72.0);(1260.373413,200.0);(1291.717407,156.0);(1310.001465,168.0);(1327.732178,140.0);(1367.574463,168.0);(1370.299194,160.0);(1416.390259,92.0);(1425.528687,192.0);(1454.994751,152.0);(1482.071533,164.0);(1484.187134,196.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(317.0305,100.0);(318.0337,18.011452);(319.0362,3.227486)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(137.0241,6.047565);(151.0034,9.139298);(178.9984,19.037373);(180.0014,1.91393);(192.0062,1.721404);(289.0357,1.732729);(317.03,100.0);(318.0335,17.259343);(319.0347,3.680634)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0145,4.726284);(109.0298,5.066304);(125.0246,4.318259);(137.0244,66.031962);(138.0276,8.84053);(151.0037,100.0);(152.0078,8.568514);(165.0193,14.552873);(169.0142,20.061204);(178.9988,70.316219);(180.0021,7.446447);(192.007,4.454267);(193.0134,4.386263);(271.0256,7.684461);(289.0368,4.862292);(299.0193,4.352261);(317.0306,36.518191);(318.0341,6.086365)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0143,17.259499);(109.0297,19.118836);(125.0245,4.32498);(137.0245,95.836702);(138.0281,7.518189);(151.0037,100.0);(152.0078,11.156023);(155.0352,7.63945);(163.0034,5.537591);(164.0117,7.316087);(165.0188,16.410671);(169.0144,22.675829);(178.9988,15.319321);(271.025,13.01536)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.014,25.028902);(109.0298,59.017341);(125.0248,9.653179);(137.0244,100.0);(138.0279,8.554913);(151.0041,45.66474);(155.0351,10.346821);(165.0195,8.612717);(169.0137,13.236994)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(63.0217,1.401529);(65.001,2.857663);(81.0332,1.441573);(83.0126,3.895158);(107.0133,10.935566);(109.029,15.267565);(125.0244,1.437932);(137.0243,28.296323);(151.0035,38.91518);(152.0087,1.150346);(163.0039,1.150346);(165.0193,2.995996);(178.9984,25.43866);(192.0064,1.914816);(193.0142,1.579905);(227.0356,1.044776);(271.0251,2.646523);(317.0298,100.0);(317.3016,1.856571);(317.9336,1.346924);(318.0334,4.281034)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(63.0476,7.580038);(65.016,12.758945);(81.0829,5.037665);(83.0485,17.702448);(96.0001,2.824859);(107.0459,57.721281);(107.9812,9.13371);(109.0522,65.725047);(109.8396,7.297552);(110.7127,2.730697);(119.0094,2.495292);(120.7409,2.071563);(124.0613,3.672316);(125.0505,4.849341);(135.0691,2.212806);(136.0947,4.708098);(137.0549,95.903955);(137.8844,13.041431);(138.8201,3.436911);(149.1037,3.531073);(150.0721,3.907721);(151.0301,100.0);(151.9063,13.559322);(152.7854,3.483992);(155.0129,3.34275);(160.9766,2.024482);(163.0161,3.248588);(164.0027,5.27307);(165.0496,10.404896);(179.0262,10.07533);(183.0177,2.589454);(191.0847,2.448211);(193.033,2.165725);(199.0629,2.306968);(227.0459,3.154426);(243.0653,2.306968);(271.0282,7.909605)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(107.229631,1.096433);(125.26981,0.522535);(137.282359,2.713076);(151.213522,25.537428);(163.223959,1.212147);(179.13025,100.0);(191.105171,2.113052);(192.09289,10.00089);(193.070612,6.725111);(227.115535,2.526824);(245.121493,1.469061);(255.105884,2.577856);(271.093667,1.100338);(273.113457,0.977275);(289.094724,2.096034);(299.08955,2.135569);(317.267274,4.179058);(318.11509,7.890689)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(107.245241,1.048636);(125.269863,0.524396);(137.308518,2.639269);(151.242253,24.32149);(163.253592,1.187367);(179.162944,100.0);(191.129816,2.203414);(192.117203,10.212903);(193.092916,7.085729);(227.13843,2.647182);(245.156099,1.556225);(255.125421,2.741187);(271.114271,1.156418);(273.136645,0.959934);(289.118962,2.157325);(299.112475,2.357395);(317.268376,6.296644);(318.11042,14.788428)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(122.9636,0.838007);(170.034119,1.784537);(183.033431,29.618713);(184.019011,2.800369);(197.055928,6.598523);(198.059219,2.426996);(211.064808,4.16701);(212.073245,1.13654);(214.989382,1.009992);(225.081657,5.435898);(226.098114,0.890433);(239.104911,4.667259);(240.124073,0.655728);(253.133598,1.486692);(267.11435,0.750916);(281.182614,0.744406);(289.303482,2.742121);(295.161866,0.543672);(308.185394,0.738946);(309.235256,1.908752);(317.074485,100.0);(335.184434,1.77912);(353.286483,1.759817)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(183.042936,8.932471);(184.024166,0.792872);(197.056929,1.957375);(198.045929,0.764243);(211.081176,1.392584);(225.084094,1.403716);(239.102863,1.33321);(289.303234,0.663579);(309.180268,0.818188);(317.078846,100.0);(335.126611,0.621644)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(315.097265,1.312729);(316.071893,2.301912);(317.074737,37.764997);(318.050011,0.750311);(528.083344,0.235936);(528.250011,0.267649);(529.166678,0.197534);(546.237792,0.558124);(546.750012,0.208559);(547.216926,0.467249);(555.250012,0.195012);(558.206886,0.277079);(560.249599,0.265401);(561.333345,0.222659);(562.253119,0.349259);(563.172726,0.285973);(572.228298,0.457178);(573.166679,0.533433);(573.265878,0.593497);(575.361748,0.20584);(576.666679,0.219296);(589.500013,0.347475);(590.23893,3.49251);(591.242014,2.485349);(597.750013,0.237244);(597.91668,0.288869);(598.250013,0.477451);(602.23105,0.520521);(603.251561,0.59037);(603.750013,0.281658);(604.21663,0.355528);(605.083347,0.234769);(606.298348,0.230657);(607.250013,0.235098);(607.500013,0.214278);(608.018635,0.204051);(611.500013,0.326966);(612.11323,1.240482);(612.66668,0.673486);(613.250014,0.390191);(615.500014,0.27023);(616.172338,1.093178);(617.083347,1.023336);(617.500014,0.764383);(618.66668,0.232426);(619.083347,0.329673);(619.583347,0.370999);(619.833347,0.339354);(620.16668,0.205472)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(179.083334,0.028494);(180.333334,0.020352);(192.079162,0.016445);(199.833335,0.017355);(203.833335,0.019437);(205.083335,0.024101);(211.083335,0.018334);(211.916668,0.018049);(212.783902,0.019826);(215.166668,0.026655);(220.164976,0.029267);(221.097047,0.020348);(223.116495,0.020057);(225.833335,0.01684);(227.083335,0.025256);(229.166669,0.018651);(231.101252,0.070564);(237.333336,0.017748);(243.083336,0.026554);(243.978474,0.020401);(247.082746,0.026487);(247.416669,0.020679);(251.180522,0.018049);(254.166669,0.023011);(255.000003,0.026543);(255.000003,0.026543);(259.083336,0.038843);(260.083336,0.038559);(265.333336,0.018776);(270.750003,0.025664);(271.083337,0.066662);(271.982226,0.024324);(273.069756,0.078244);(273.858993,0.020958);(275.083337,0.01681);(279.099898,0.021821);(280.16667,0.02881);(282.226364,0.016961);(283.333337,0.023806);(286.833337,0.019093);(287.083337,0.064054);(288.000004,0.029892);(288.09136,0.029559);(291.258775,0.020675);(293.166671,0.016719);(295.000004,0.018188);(295.250004,0.021364);(296.166671,0.022893);(299.09927,0.042398);(300.166671,0.03952);(301.082945,0.024541);(305.000004,0.027551);(305.333338,0.020251);(307.333338,0.018978);(307.951396,0.027599);(309.250004,0.047267);(310.094394,0.031714);(311.064901,0.033433);(312.250005,0.022803);(312.833338,0.020179);(314.000005,0.025768);(315.063931,0.330096);(316.072458,0.594869);(317.061169,3.284994);(317.833338,0.029534);(318.083338,0.063576);(319.127911,0.032705);(322.357926,0.01909);(323.127721,0.038343);(325.231218,0.041987);(326.100432,0.066297);(326.886577,0.029078);(328.750005,0.084819);(329.116325,0.229581);(331.066539,0.024874);(332.097924,0.047412);(333.083338,0.026533);(335.36528,0.024006);(337.068826,0.019076);(343.171119,0.020486);(343.945711,0.017981);(347.083339,0.030805);(349.066457,0.064536);(349.916672,0.020628);(350.166672,0.042715);(351.250006,0.054446);(352.000006,0.021258);(352.250006,0.033144);(353.002663,0.024375);(354.083339,0.019945);(358.089478,0.025596);(361.158977,0.03562);(362.916673,0.022348);(363.166673,0.017631);(365.500006,0.029861);(366.083339,0.017288);(366.333339,0.030637);(369.08334,0.052852);(369.500006,0.026539);(369.916673,0.017314);(370.750006,0.017076);(371.08334,0.022092);(373.250006,0.016434);(374.077274,0.034232);(374.500006,0.02761);(375.33334,0.020446);(377.273448,0.030037);(377.916673,0.017982);(378.209782,0.039099);(379.000007,0.04883);(379.089559,0.04883);(380.017187,0.020884);(380.250007,0.030137);(381.58334,0.017265);(382.704319,0.034968);(384.33334,0.023495);(385.166673,0.031662);(386.666673,0.017151);(390.83334,0.05788);(390.965661,0.07895);(391.33334,0.022744);(392.088435,0.290494);(393.201047,0.08592);(395.250007,0.021973);(396.08334,0.030994);(397.166674,0.032853);(397.211799,0.032853);(399.08334,0.024194);(399.33334,0.023194);(400.166674,0.025825);(402.360819,0.019259);(403.057594,0.019691);(403.958883,0.022989);(404.266685,0.023913);(407.083341,0.032705);(407.416674,0.024149);(408.916674,0.018961);(409.056025,0.02388);(410.780817,0.018326);(411.108219,0.035314);(411.916674,0.020136);(416.083341,0.019502);(417.166674,0.016786);(418.067777,0.026555);(419.005547,0.032066);(419.333341,0.028154);(419.500008,0.028479);(421.092446,0.034347);(421.416674,0.024975);(421.916674,0.024657);(424.916675,0.035139);(425.166675,0.035698);(426.279335,0.032801);(427.500008,0.018125);(429.174596,0.023372);(429.500008,0.026631);(431.029971,0.016883);(432.416675,0.023052);(432.833341,0.016945);(433.166675,0.022146);(434.000008,0.018946);(434.333342,0.039163);(434.385021,0.039163);(434.957978,0.028716);(435.166675,0.02426);(436.144132,0.067968);(437.106691,0.02321);(437.416675,0.035584);(438.083342,0.019147);(439.139985,0.038524);(440.250008,0.021727);(440.916675,0.017582);(441.166675,0.02569);(441.416675,0.021489);(441.833342,0.017334);(443.070024,0.039297);(444.103876,0.026444);(445.308845,0.038641);(446.071437,0.042951);(446.666675,0.016708);(447.250009,0.045603);(447.322484,0.045603);(447.750009,0.019635);(448.083342,0.026847);(449.080158,0.067662);(449.333342,0.034431);(450.172884,0.022279);(450.500009,0.018448);(451.250009,0.025304);(452.098567,0.057033);(452.8862,0.113622);(454.180778,0.079632);(454.500009,0.04481);(455.103824,0.054641);(456.193311,0.039983);(457.083342,0.027225);(457.333342,0.021797);(458.250009,0.026142);(459.250009,0.030056);(460.160859,0.056529);(461.034901,0.017272);(462.000009,0.041636);(462.448479,0.016452);(463.000009,0.030033);(463.075146,0.041823);(463.916676,0.017309);(464.106049,0.041484);(465.083342,0.057426);(465.333342,0.044421);(467.091958,0.088719);(468.090254,0.036985);(469.000009,0.058384);(470.250009,0.029463);(470.916676,0.025876);(471.250009,0.030555);(473.333343,0.03362);(475.166676,0.03284);(475.230451,0.03284);(476.139194,0.025372);(477.000009,0.026166);(477.250009,0.025109);(477.250009,0.025109);(478.11484,0.028785);(479.071008,0.044246);(479.416676,0.027671);(480.021737,0.033666);(480.25001,0.030209);(480.583343,0.03394);(481.033447,0.061318);(482.055232,0.060944);(482.916676,0.041424);(483.166676,0.056646);(483.583343,0.02877);(484.416676,0.021962);(485.057377,0.040473);(485.333343,0.017969);(486.00001,0.027209);(487.372954,0.025694);(488.979248,0.030311);(489.416676,0.021129);(490.175925,0.052672);(491.166677,0.021696);(491.416677,0.018694);(492.166677,0.023922);(492.870604,0.029469);(493.25001,0.041838);(494.00001,0.027422);(495.00001,0.016847);(495.333343,0.017864);(496.031386,0.021066);(496.537962,0.027002);(496.997371,0.033828);(499.166677,0.018591);(499.50001,0.019552);(500.083343,0.030105);(500.941136,0.022289);(502.00001,0.041928);(502.25001,0.046007);(502.25001,0.046007);(502.75001,0.028409);(503.083344,0.022584);(504.42802,0.051842);(505.253402,0.045473);(505.50001,0.020465);(506.00001,0.018714);(507.260822,0.052126);(507.916677,0.035769);(507.916677,0.035769);(508.333344,0.041859);(509.256677,0.078648);(509.962694,0.036826);(511.3046,0.036061);(515.250338,0.022982);(515.916677,0.019017);(516.166677,0.031238);(518.093459,0.096419);(518.416677,0.041059);(518.666677,0.041387);(518.916677,0.017403);(519.250011,0.030335);(519.416677,0.033107);(519.833344,0.025702);(520.28095,0.045844);(520.867287,0.028731);(522.337803,0.035122);(524.794077,0.021624);(525.500011,0.030686);(526.080551,0.023726);(527.000011,0.023864);(527.191002,0.041837);(528.166678,0.051499);(528.416678,0.026533);(529.182906,0.049151);(529.583344,0.040948);(530.173562,0.05367);(530.416678,0.036406);(531.000011,0.018494);(531.250011,0.030165);(532.355274,0.04184);(533.166678,0.024005);(533.500011,0.017678);(533.946019,0.021536);(534.250011,0.023569);(535.083345,0.030221);(535.122767,0.030221);(535.583345,0.020368);(535.916678,0.030836);(537.000011,0.017802);(537.333345,0.048761);(537.333345,0.048761);(538.190583,0.029711);(539.441762,0.022934);(542.147838,0.026719);(543.100867,0.068954);(543.333345,0.019837);(543.500011,0.022372);(544.083345,0.066508);(544.333345,0.061124);(544.916678,0.024489);(545.334305,0.067685);(546.000012,0.04904);(546.262704,0.104252);(547.083345,0.155521);(547.173001,0.155521);(548.000012,0.039569);(548.250012,0.043836);(549.000012,0.028726);(549.37795,0.058408);(549.666678,0.024769);(550.333345,0.026575);(550.833345,0.029111);(551.089177,0.032457);(552.333345,0.022687);(552.583345,0.020748);(552.949866,0.024805);(553.961082,0.022935);(554.250012,0.065869);(554.750012,0.034179);(555.250012,0.104669);(555.28793,0.107374);(555.666678,0.040926);(556.166678,0.018779);(556.583345,0.029581);(557.019812,0.023931);(557.583345,0.026905);(558.250012,0.055499);(558.500012,0.031592);(559.250012,0.063483);(559.500012,0.027471);(560.257331,0.083482);(561.000012,0.046308);(561.250012,0.083638);(562.101534,0.088599);(562.500012,0.068084);(562.833345,0.090095);(563.166679,0.127112);(563.416679,0.05218);(563.833345,0.023182);(564.083345,0.016653);(565.250012,0.040156);(565.96304,0.042069);(566.166679,0.022392);(566.620456,0.029526);(567.767877,0.017442);(568.276493,0.02432);(569.242816,0.024846);(570.500012,0.017355);(570.916679,0.020183);(571.250012,0.044796);(571.666679,0.031426);(572.166679,0.190255);(572.416679,0.147555);(573.083346,0.12657);(573.333346,0.136956);(573.666679,0.156726);(574.273282,0.076006);(574.833346,0.026087);(575.199809,0.109689);(575.583346,0.04287);(575.583346,0.04287);(576.208646,0.088438);(577.211963,0.056518);(577.666679,0.047944);(578.333346,0.032455);(578.916679,0.02151);(579.166679,0.029466);(581.10819,0.02069);(584.000013,0.017068);(587.144314,0.042609);(587.750013,0.062409);(588.083346,0.059485);(588.500013,0.049649);(589.000013,0.042186);(589.293019,0.103392);(589.583346,0.126778);(590.166679,0.534841);(590.583346,0.426946);(591.282601,0.677492);(592.16668,0.082402);(592.91668,0.017908);(593.16668,0.04842);(593.583346,0.036015);(594.333346,0.040003);(595.306984,0.029847);(596.1776,0.02701);(597.106336,0.045741);(597.66668,0.058002);(598.16668,0.083017);(598.41668,0.100956);(598.91668,0.026066);(599.250013,0.059317);(602.000013,0.08732);(602.250013,0.128114);(602.750013,0.031992);(603.161694,0.129031);(603.583347,0.044156);(603.833347,0.034988);(604.192053,0.10299);(604.750013,0.02849);(604.91668,0.029387);(604.91668,0.029387);(605.333347,0.049708);(605.833347,0.09918);(606.083347,0.122951);(606.333347,0.132313);(606.833347,0.087021);(607.246502,0.185601);(607.66668,0.025307);(608.500013,0.039822);(609.083347,0.038973);(609.41668,0.042325);(610.083347,0.020394);(611.583347,0.040819);(611.798721,0.094232);(612.000013,0.118238);(612.41668,0.090886);(612.91668,0.07988);(613.41668,0.028975);(613.798394,0.04716);(614.41668,0.020208);(614.91668,0.018029);(615.083347,0.020897);(615.500014,0.022133);(616.000014,0.298969);(616.250014,0.344842);(616.66668,0.221142);(617.16668,0.436907);(617.41668,0.405494);(618.000014,0.074955);(618.500014,0.044951);(618.750014,0.023274);(619.358302,0.105994);(619.833347,0.078265);(620.083347,0.093342);(620.333347,0.050438);(620.750014,0.040209);(624.916681,0.050511);(625.166681,0.073855);(625.264015,0.073855);(628.750014,0.051422);(631.931383,0.019302);(633.666681,0.022403);(634.000014,0.020614);(634.271801,0.030093);(634.666681,0.018997);(635.083347,0.026112)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(137.651909,1.218225);(151.652606,12.501763);(153.000002,0.883677);(155.000002,0.80007);(155.500002,0.846915);(155.833336,0.845781);(163.656921,0.606887);(179.453271,95.94509);(180.833336,0.75349);(191.333337,2.152042);(192.358157,10.507588);(193.286215,7.436503);(227.334175,2.89209);(231.32039,0.508142);(245.34501,1.894805);(255.325082,3.175186);(271.314455,1.408004);(273.331282,1.203114);(289.33864,2.800727);(299.290326,2.751953);(317.316765,49.83885);(318.053134,100.0);(319.013523,0.781861)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(137.662283,1.147145);(151.661439,11.999573);(153.000002,0.812667);(153.916669,0.578672);(154.666669,0.640315);(155.166669,0.685481);(155.583336,0.682526);(163.661689,0.587544);(179.455201,100.0);(191.41667,2.089773);(192.349418,10.057956);(193.307813,7.241247);(227.340309,2.900004);(245.332056,1.861543);(255.321529,3.271047);(271.312206,1.406067);(273.316319,1.160618);(289.3193,2.66094);(299.283163,2.824583);(317.279367,38.709541);(318.03594,94.47927)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(287.0161,17.517518);(315.012,100.0);(316.0151,25.825826);(317.0264,49.449449)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(287.0176,100.0);(288.0219,26.726727);(315.0134,64.064064);(316.0163,15.915916);(317.0273,49.94995);(318.0326,15.015015)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(319.045,100.0);(320.0483,15.054314);(321.0502,2.726118)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(319.0445,100.0);(320.0478,13.486725);(321.0498,2.404921)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(111.0081,2.338612);(137.0235,1.905462);(153.0184,17.82074);(154.0219,1.210038);(165.0184,8.75837);(166.0245,1.372966);(179.0338,2.626716);(183.0287,2.187606);(189.0548,1.070953);(195.0287,1.754456);(217.0496,4.385146);(245.0444,10.453218);(246.0483,1.323293);(255.0285,1.007371);(263.055,2.545252);(273.0394,13.069999);(274.0431,1.978978);(290.0421,3.757277);(291.0482,1.311371);(301.0345,4.021538);(319.0452,100.0);(320.0483,14.657553);(321.0504,2.676389)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(109.0286,3.506124);(111.0082,6.22279);(121.0288,1.65438);(125.0234,1.520868);(126.0312,1.770477);(133.0289,1.526673);(137.0236,11.957973);(138.0282,1.044871);(139.0393,3.366808);(147.0444,1.712428);(149.0236,1.613746);(153.0185,100.0);(154.022,7.563708);(161.0602,3.001103);(165.0185,17.635108);(166.0249,4.00534);(171.044,2.57735);(175.0394,1.724038);(177.0552,2.379985);(179.034,9.984327);(183.0289,4.777384);(189.0547,11.267197);(191.0339,1.317699);(193.0132,1.886573);(194.0204,1.329309);(195.0289,5.270796);(199.0388,3.807976);(203.0339,6.629129);(204.0399,1.207407);(205.0486,1.050676);(207.0288,2.670227);(208.036,1.83433);(216.0411,1.039067);(217.0496,40.4075);(218.0529,4.922505);(219.029,3.883439);(221.0444,3.175248);(227.0342,2.7573);(229.0496,2.54252);(231.0291,2.339351);(232.0362,2.681837);(233.044,1.427991);(235.0598,3.628026);(244.0369,3.442271);(245.0445,38.120392);(246.0479,4.812213);(255.0289,4.225924);(263.0551,1.799501);(272.0321,1.660185);(273.0395,24.670575);(274.0432,3.813781);(290.0425,5.723573);(291.0475,1.10292);(301.0342,3.65705);(319.045,25.314913);(320.0487,3.639635)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(105.0708,2.251564);(109.0288,5.343989);(111.0079,3.648367);(115.0548,3.648367);(121.0291,4.2877);(123.0447,1.938846);(125.0237,2.522585);(133.0654,2.960389);(137.0236,13.849896);(139.0394,3.43294);(143.0495,2.161223);(147.0447,5.587213);(149.0233,2.321056);(152.0111,2.216817);(153.0187,100.0);(154.022,7.185546);(161.06,6.636553);(163.0393,3.057679);(165.0183,6.782488);(166.0255,2.432245);(171.0445,9.861015);(175.039,3.613621);(177.0547,2.515636);(179.0339,8.672689);(183.0291,1.542738);(187.0389,1.480195);(189.0547,12.119527);(190.0577,1.466296);(191.0339,1.612231);(193.0132,1.911049);(195.0294,3.14107);(199.0388,5.031272);(200.0453,1.681723);(203.034,10.437804);(204.0393,2.022238);(205.0491,1.473245);(207.0289,1.528839);(208.0363,1.876303);(209.0446,1.4246);(216.0416,3.405142);(217.0494,36.247394);(218.0527,4.753301);(219.0286,8.818624);(221.0446,1.924948);(227.034,4.023628);(229.0489,1.438499);(231.029,1.626129);(232.0359,1.709521);(233.0439,1.591383);(235.0597,2.00139);(244.0366,3.259208);(245.0444,19.763725);(246.0479,2.661571);(255.0288,2.557331);(273.0393,5.705351);(301.0347,1.445448);(319.0454,1.292564)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(68.9871,10.14574);(109.0248,10.033632);(111.0042,10.95852);(121.026,3.195067);(121.0632,3.251121);(125.0214,6.278027);(137.0223,18.497758);(139.038,3.195067);(147.0434,4.568386);(153.0181,100.0);(153.0817,10.930493);(161.0594,6.165919);(165.0183,18.133408);(166.0269,4.232063);(171.0443,7.090807);(175.0395,3.89574);(177.0549,3.503363);(179.034,13.144619);(189.0548,13.733184);(195.03,4.176009);(199.0402,6.950673);(203.0349,11.659193);(217.0503,47.757848);(217.1265,4.119955);(219.0301,5.43722);(227.0354,5.43722);(231.0304,3.223094);(244.0383,5.044843);(245.0451,41.900224);(245.1273,3.110987);(255.0293,6.193946);(273.0399,19.422646);(290.0424,4.204036);(319.0454,6.894619)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(68.9868,2.869471);(109.0251,2.125135);(111.0045,2.632147);(115.0514,1.97411);(137.0223,3.937433);(153.018,18.737864);(165.0183,5.66343);(171.0442,1.548004);(179.0347,2.497303);(189.0563,1.947141);(203.0351,1.936354);(217.0506,7.227616);(245.0455,8.101402);(273.0403,6.812298);(290.0422,1.812298);(301.035,1.521036);(319.0454,100.0);(319.1353,7.330097);(320.0482,4.665588)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(109.011184,2.833982);(110.986975,2.697777);(127.035332,3.640191);(137.034253,5.409962);(153.006979,31.673002);(154.023323,0.775374);(165.035236,37.48277);(166.016341,2.437799);(175.016659,0.605604);(177.09244,2.35792);(179.039151,5.554035);(189.057473,1.012228);(193.040935,2.692348);(195.059598,5.829034);(203.075307,0.752373);(207.078459,1.562417);(209.067171,0.820479);(217.075401,4.269595);(221.071265,1.773963);(227.074406,1.818047);(229.111795,1.785623);(231.050942,1.980679);(235.063771,4.007186);(239.094128,0.630763);(240.98656,0.596717);(245.097064,34.442161);(246.115268,1.206347);(249.078922,0.850038);(255.10142,8.133578);(256.314726,2.884702);(257.167975,0.884033);(259.08391,0.665212);(261.169923,2.53639);(263.121205,23.092457);(264.134053,0.868101);(270.322373,3.409984);(271.301226,0.639003);(273.086997,100.0);(274.069994,4.07266);(277.086653,0.994947);(283.057416,6.187043);(290.10135,15.676314);(291.091083,5.413695);(300.33334,2.415585);(301.088814,42.582251);(302.100548,2.510597);(319.12008,1.295945)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(109.016187,2.815281);(110.98619,2.895909);(127.044968,3.69435);(137.034055,5.353541);(153.027474,31.872156);(154.043406,0.682419);(165.031085,38.566838);(166.025128,2.626668);(175.014587,0.519992);(177.074497,2.223109);(179.066306,5.959042);(189.067682,0.894097);(193.024068,2.468259);(195.048244,5.76263);(203.05264,0.797544);(207.043464,1.644842);(209.083893,0.832605);(217.088307,4.261827);(221.095637,1.835477);(227.091048,1.680516);(229.102481,1.704436);(231.079441,1.927986);(235.070472,4.176802);(239.098591,0.693761);(245.095891,31.874528);(246.090162,1.178438);(249.076109,0.801107);(255.081453,7.809097);(256.304754,3.22187);(257.202933,0.955837);(259.087568,0.691436);(261.172617,3.600803);(263.102427,21.588869);(264.110537,1.03381);(270.330193,4.585752);(271.330404,0.81047);(273.088761,100.0);(274.093543,4.132014);(275.128881,0.638671);(277.0635,0.85858);(283.081276,5.624103);(290.081748,15.598659);(291.108655,5.590501);(300.416673,2.950064);(301.097847,38.663134);(302.075922,2.459636);(319.113146,1.250964)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(109.052504,2.578003);(111.044963,2.514891);(127.096857,3.412882);(137.076229,5.101661);(153.079904,31.312628);(154.085831,1.293418);(165.094206,36.804176);(166.099071,3.305609);(175.08048,0.578173);(177.119767,1.869987);(179.112772,5.243078);(189.117264,0.83391);(193.085154,2.409021);(195.126621,5.57309);(203.116714,0.700347);(207.108859,1.625644);(209.144583,0.754303);(217.144953,3.573188);(221.126187,1.731485);(227.109863,1.524161);(229.160485,1.497938);(231.113785,1.888135);(235.13548,4.054273);(239.154212,0.553291);(245.13503,29.823574);(246.134281,2.186767);(249.144137,0.869948);(255.120131,7.218435);(256.187175,0.767111);(257.156645,0.635204);(259.12025,0.556254);(263.148932,20.228687);(264.142132,1.672198);(273.151649,100.0);(274.128822,7.659828);(277.129471,0.909565);(283.12234,5.330415);(290.122493,14.5241);(291.136046,6.076395);(301.118346,35.353201);(302.133334,4.082039);(319.103375,0.632506)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(109.040691,2.823038);(111.025253,2.878773);(127.092226,3.870822);(137.052868,5.575374);(153.077251,33.808722);(154.082072,1.353855);(165.083845,38.932563);(166.076491,3.541477);(177.104771,2.114041);(179.109141,5.709437);(189.093542,0.912179);(193.072777,2.589979);(195.10887,6.121708);(203.112603,0.720973);(207.090044,1.65157);(209.123969,0.880303);(217.135361,4.201697);(221.11107,1.819124);(227.117252,1.715294);(229.131886,1.70293);(231.111908,2.025212);(235.125029,4.30538);(239.135652,0.682674);(245.130699,33.065432);(246.142681,2.403862);(249.139632,0.913277);(255.097476,8.044664);(256.260562,1.338313);(257.183851,0.747504);(259.121444,0.608804);(263.13396,22.607075);(264.151672,1.938009);(270.374627,2.903498);(271.377911,0.575133);(273.128423,100.0);(274.124521,8.294597);(277.104293,0.874695);(283.125454,6.075334);(284.114885,0.500811);(290.13261,16.353665);(291.146085,6.724017);(300.416673,2.381225);(301.133617,40.175737);(302.141885,4.48205);(319.11013,0.629848)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(45.00341,1.348315);(45.567299,1.910112);(46.011753,1.292135);(47.807014,1.797753);(47.955761,0.617978);(49.207069,2.47191);(49.532135,3.202247);(49.661877,2.47191);(50.99905,1.685393);(51.138443,2.640449);(51.262348,3.146067);(52.00462,1.910112);(52.073536,2.191011);(52.200008,2.47191);(52.378475,2.078652);(54.065689,0.674157);(54.529144,1.516854);(55.176277,2.52809);(57.695587,1.797753);(58.687035,2.134831);(60.83646,1.516854);(61.166019,2.191011);(62.276222,1.629213);(62.422382,1.910112);(62.554546,2.640449);(63.540703,0.955056);(63.804344,2.359551);(64.587349,1.179775);(65.015144,2.921348);(65.039215,0.955056);(65.092201,1.966292);(65.203049,2.696629);(65.37352,3.202247);(66.779465,2.022472);(67.655746,2.58427);(68.498199,0.617978);(68.516319,3.089888);(69.071007,1.235955);(70.922684,2.134831);(72.378304,2.41573);(72.420639,2.022472);(72.481628,3.820225);(72.657967,1.011236);(73.307503,2.078652);(73.452423,2.303371);(73.59066,1.179775);(73.631645,3.483146);(75.643448,1.629213);(75.726562,1.910112);(75.759476,2.303371);(76.649063,0.674157);(77.401939,2.359551);(77.64904,1.404494);(77.770103,2.247191);(78.343361,1.067416);(79.255035,2.47191);(79.270988,2.247191);(79.299339,2.921348);(79.336563,2.191011);(79.963608,2.191011);(80.300346,1.741573);(80.762337,1.685393);(81.334557,1.741573);(81.803734,1.741573);(82.295921,0.449438);(82.970787,2.696629);(83.181221,2.58427);(83.253853,3.089888);(83.788628,2.865169);(84.199059,1.516854);(85.022919,1.573034);(85.081657,1.741573);(85.259834,1.910112);(88.055656,2.865169);(88.216347,0.674157);(88.648712,2.191011);(89.239998,1.685393);(89.663551,3.089888);(90.517456,1.910112);(91.035156,1.966292);(91.130127,0.842697);(93.028549,2.865169);(93.842361,1.853933);(94.077736,2.191011);(94.156906,2.752809);(95.008606,2.52809);(95.362022,3.202247);(95.589569,3.146067);(96.07473,1.235955);(96.801834,2.191011);(97.023239,1.123596);(97.036964,2.47191);(97.209579,2.58427);(97.724403,2.078652);(98.116341,0.561798);(98.165634,1.629213);(99.646248,1.685393);(100.386719,2.47191);(100.769966,2.696629);(100.789948,1.516854);(102.211647,3.146067);(102.547966,2.078652);(103.051064,4.662921);(103.065575,1.853933);(103.313286,0.730337);(105.03392,3.258427);(105.064781,2.58427);(105.67131,2.359551);(106.044014,1.460674);(107.017754,1.797753);(108.018333,2.808989);(108.200821,2.022472);(109.022858,2.247191);(109.95108,1.123596);(110.333344,2.41573);(110.626228,0.955056);(110.653442,1.460674);(111.010902,7.247191);(111.047409,8.426966);(111.217361,0.674157);(111.29924,0.730337);(112.014313,2.078652);(112.088051,1.292135);(112.176575,1.067416);(113.41317,1.123596);(113.53614,1.460674);(114.003197,1.797753);(115.050453,1.516854);(115.478539,3.820225);(116.290588,1.348315);(116.352837,3.314607);(117.361931,2.247191);(117.454666,1.685393);(118.908691,1.235955);(119.093239,1.797753);(120.02034,2.977528);(121.026566,4.719101);(121.064323,2.191011);(122.028191,2.58427);(122.375832,3.370787);(123.042412,2.52809);(123.587601,1.179775);(123.842186,2.022472);(123.890923,3.426966);(124.010162,3.258427);(125.020401,4.157303);(126.029053,2.022472);(126.151978,1.853933);(127.007385,2.58427);(127.035416,2.640449);(127.126297,1.966292);(128.041306,2.247191);(128.792374,2.359551);(129.050003,3.202247);(130.310211,2.47191);(130.36702,1.516854);(130.614838,1.348315);(130.803711,2.640449);(131.052155,2.865169);(131.159058,3.089888);(131.994659,1.966292);(133.028244,4.044944);(133.057816,3.651685);(133.145081,3.483146);(133.556488,1.629213);(134.092972,1.741573);(135.040558,1.910112);(135.28952,2.640449);(135.588318,1.123596);(136.001175,0.674157);(136.019745,2.022472);(136.792786,1.460674);(137.022034,15.730337);(137.065201,2.47191);(137.348434,0.842697);(137.371765,2.921348);(137.544434,0.674157);(137.883118,2.247191);(137.90416,1.292135);(138.02565,1.741573);(138.166061,2.247191);(138.526581,1.966292);(139.039841,4.382022);(139.547485,1.292135);(142.024796,2.52809);(143.030548,3.370787);(143.050537,3.089888);(143.437241,1.910112);(143.537384,2.640449);(143.558838,2.865169);(144.279938,0.674157);(144.464096,1.123596);(145.057846,3.033708);(145.146683,2.247191);(145.624268,2.921348);(145.910233,2.41573);(146.011215,2.52809);(146.699875,1.853933);(147.006195,5.224719);(147.043625,7.134831);(147.95369,0.786517);(148.086884,0.898876);(148.5159,2.808989);(149.020996,7.191011);(149.059158,2.640449);(150.026001,2.58427);(150.24794,2.022472);(150.543274,2.921348);(151.421265,0.730337);(152.016998,2.696629);(152.69014,0.561798);(153.018127,100.0);(153.05928,2.752809);(153.202133,2.134831);(153.347519,1.460674);(153.616287,0.561798);(154.022018,6.910112);(154.936432,1.573034);(155.029648,2.078652);(155.072723,1.235955);(155.174362,1.292135);(155.295868,2.41573);(156.17514,2.134831);(157.231552,3.146067);(158.612228,1.404494);(160.051041,3.876404);(160.72229,1.516854);(161.028061,3.314607);(161.058701,7.022472);(161.325928,2.865169);(162.820908,1.741573);(163.03392,3.820225);(163.156326,1.292135);(164.039703,2.865169);(164.57547,1.629213);(164.81813,1.797753);(165.01709,19.550562);(165.076309,0.505618);(166.022934,2.977528);(166.175186,0.674157);(166.4216,2.808989);(167.030685,2.808989);(167.280289,0.786517);(168.025085,2.078652);(168.399384,1.348315);(168.487213,0.730337);(168.673279,1.910112);(169.12854,2.359551);(170.274567,1.460674);(171.043716,9.662921);(171.221252,1.235955);(171.487,2.696629);(172.04657,4.494382);(172.105286,2.808989);(173.024612,2.921348);(173.057037,2.247191);(174.297729,2.191011);(174.994766,0.955056);(175.034088,2.58427);(175.321396,2.640449);(175.76178,3.089888);(176.033676,2.247191);(177.012115,2.134831);(177.056519,5.05618);(177.337982,1.235955);(177.977325,1.292135);(178.027786,2.696629);(178.059647,2.41573);(178.86264,2.58427);(179.03685,16.067416);(179.055679,2.808989);(179.507385,2.696629);(179.638077,0.674157);(180.030441,2.41573);(181.086853,2.078652);(181.127029,1.123596);(181.872467,2.52809);(183.029327,3.707865);(183.13353,1.011236);(183.289795,0.561798);(184.320587,2.47191);(185.018402,2.696629);(187.039536,2.52809);(187.99205,2.078652);(189.014069,1.966292);(189.054001,17.247191);(189.391876,0.786517);(190.047089,2.078652);(190.469879,0.786517);(190.552292,1.853933);(191.030655,5.0);(192.040207,3.595506);(192.146408,0.955056);(192.174011,1.123596);(192.974991,2.41573);(193.019073,5.0);(193.045593,5.05618);(194.010452,2.078652);(195.027039,5.0);(195.468643,2.303371);(196.02713,6.348315);(196.145432,0.561798);(196.256943,2.58427);(196.29599,1.123596);(196.753586,0.730337);(199.038269,6.292135);(200.037918,7.191011);(201.05249,1.685393);(201.471832,1.910112);(202.008499,2.078652);(202.306091,1.910112);(202.5298,0.842697);(202.654449,1.797753);(202.739471,1.629213);(203.03273,15.280899);(204.035339,4.213483);(204.042999,2.247191);(204.400742,0.561798);(205.019455,2.977528);(205.041229,4.662921);(205.512024,1.011236);(206.057724,2.191011);(206.660645,1.910112);(207.02948,2.977528);(207.069199,3.932584);(207.37085,0.842697);(208.034271,7.022472);(208.076538,2.247191);(209.026443,2.303371);(209.479965,0.561798);(210.220963,0.617978);(210.36528,1.179775);(212.712982,2.752809);(216.040573,2.022472);(216.585449,1.910112);(216.784683,2.808989);(217.010391,2.303371);(217.049271,46.910112);(217.447479,1.348315);(217.785141,1.179775);(217.840942,0.561798);(217.893829,0.505618);(218.008423,2.359551);(218.054855,8.370787);(218.353104,1.179775);(218.740799,2.47191);(218.808502,1.797753);(219.025726,11.741573);(219.048065,2.696629);(219.203201,1.460674);(220.027252,2.808989);(220.436691,0.505618);(220.637695,1.348315);(221.012451,2.303371);(221.05014,3.146067);(221.131683,0.505618);(222.020447,2.52809);(222.031219,2.47191);(222.388397,1.235955);(222.557617,1.123596);(223.018097,1.629213);(224.814026,2.134831);(225.016998,1.460674);(227.033585,13.033708);(228.03981,2.303371);(229.053604,2.303371);(229.336853,2.134831);(229.928009,1.910112);(230.0578,1.966292);(230.24501,0.730337);(231.024078,4.438202);(231.182205,1.797753);(232.031876,5.280899);(233.040543,2.47191);(233.077484,0.898876);(233.320633,2.191011);(234.002151,1.910112);(234.051941,2.696629);(235.017395,1.853933);(235.056778,2.52809);(236.064575,1.741573);(237.02301,0.955056);(237.056717,1.797753);(239.000488,2.022472);(243.023682,1.910112);(243.961487,1.292135);(244.033539,3.595506);(244.717514,1.629213);(244.790817,2.865169);(245.043655,34.94382);(245.144257,0.617978);(245.353104,0.730337);(245.652481,0.674157);(245.995743,2.752809);(246.047852,7.022472);(247.014481,2.247191);(247.389999,0.730337);(247.715683,2.022472);(248.025909,2.640449);(249.0457,2.47191);(253.117233,1.460674);(255.028732,3.764045);(255.12883,0.393258);(256.038879,2.359551);(256.867584,2.359551);(257.030304,1.966292);(258.052429,1.797753);(258.881195,1.067416);(259.018921,1.741573);(261.021027,2.696629);(261.030518,2.191011);(262.048401,2.359551);(263.056732,6.573034);(263.813782,0.674157);(270.016937,1.516854);(271.403259,1.910112);(272.034668,1.348315);(272.157928,0.955056);(272.187469,1.629213);(272.263,2.41573);(272.884064,1.404494);(273.041107,33.764045);(273.212952,0.786517);(273.433441,0.842697);(273.983337,0.898876);(274.035614,3.539326);(274.25354,0.505618);(275.049805,2.52809);(279.779053,3.314607);(283.031067,1.348315);(284.019745,1.910112);(285.044525,4.831461);(290.040619,4.94382);(291.041534,2.977528);(291.331635,1.910112);(291.545715,1.011236);(292.052307,2.359551);(296.038666,1.853933);(296.744537,1.966292);(297.135529,2.134831);(299.607452,1.123596);(300.027924,2.752809);(300.811035,1.460674);(301.036469,1.685393);(302.044678,1.404494);(302.619507,2.696629);(302.92392,1.460674);(305.757263,1.741573);(307.747742,0.842697);(308.058563,1.179775);(311.0,1.573034);(317.027557,4.101124);(317.935425,2.022472);(318.034821,0.955056);(318.393402,2.247191);(318.485748,2.921348);(318.599426,2.022472);(318.823273,2.022472);(318.954803,0.617978);(319.042664,57.58427);(319.200104,0.730337);(319.498871,1.067416);(320.04776,4.775281);(320.570648,0.449438);(321.046844,4.775281);(321.155334,0.842697);(321.744141,0.842697);(322.158417,0.730337);(322.594391,1.179775);(408.955444,1.685393);(495.674622,1.179775);(534.585022,0.449438);(555.714661,0.674157);(739.90625,0.786517);(746.17804,0.898876);(898.236633,0.730337);(910.09259,0.898876);(982.112,1.629213);(1029.252441,1.516854);(1055.922607,3.539326);(1067.986694,2.696629);(1070.954834,2.52809);(1143.600098,1.685393);(1151.394165,2.58427);(1202.997559,2.696629);(1222.209961,1.011236);(1260.373413,2.808989);(1291.717407,2.191011);(1310.001465,2.359551);(1327.732178,1.966292);(1367.574463,2.359551);(1370.299194,2.247191);(1416.390259,1.292135);(1425.528687,2.696629);(1454.994751,2.134831);(1482.071533,2.303371);(1484.187134,2.752809)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(84.959091,15.112946);(101.064598,3.118908);(102.971596,5.217292);(109.02803,3.818369);(115.053841,3.531705);(127.043938,3.290907);(133.030563,2.396514);(135.046112,1.547988);(135.991745,2.602913);(137.024063,6.765279);(143.051895,1.880518);(148.059311,1.192524);(153.018402,25.719528);(154.022736,5.274624);(155.060074,4.666896);(162.972336,4.506364);(163.034698,2.499713);(165.020447,1.066391);(166.026276,8.473799);(171.040512,3.74957);(171.974976,1.926385);(177.050522,1.846119);(179.034683,4.632496);(180.983597,20.444903);(189.049805,1.777319);(193.014618,1.846119);(195.590027,1.502121);(198.990158,4.001835);(203.03476,1.731453);(203.083542,2.706112);(205.046356,1.467722);(207.03653,1.410389);(207.068695,1.330123);(210.577164,2.499713);(211.024567,3.267974);(217.04805,6.29515);(218.04747,1.880518);(219.03331,6.318083);(227.038712,1.914918);(232.030563,1.467722);(234.119568,2.350648);(240.985962,3.176241);(241.154022,1.502121);(244.031967,1.582387);(245.0504,5.228758);(246.044556,2.648779);(256.036011,1.249857);(263.052155,2.774911);(265.141968,1.570921);(273.042511,9.849788);(301.03598,1.67412);(319.046021,100.0);(319.30011,2.843711);(320.046356,3.646371);(320.079468,1.67412)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(137.0232,0.9068739521);(153.0183,3.840877915);(165.0183,3.276939491);(179.034,1.036427374);(193.0131,0.6058527663);(195.0287,1.592745008);(217.0495,1.238378296);(221.0442,0.3505563176);(229.0495,0.6287151349);(231.0288,0.579180003);(235.0599,0.3657978967);(245.0444,12.84103033);(255.0289,3.014022253);(263.055,8.70675202);(273.0393,38.10394757);(283.0237,2.240512117);(290.0423,6.603414114);(291.0502,2.053802774);(301.0346,11.71696388);(319.0439,0.297210791)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(137.2004,1.840676938);(153.0411,9.284293564);(165.1312,10.82493342);(195.1326,2.231736507);(217.1356,1.611435121);(245.1002,9.854026902);(255.0283,3.000370832);(263.0078,5.936688804);(273.0139,33.71203182);(283.0742,1.904729798);(290.1089,5.886120756);(301.1569,11.56322692);(319.1376,2.349728618)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.0236,1.93);(65.0038,4.25);(83.0156,1.89);(107.0136,11.43);(109.0293,8.99);(125.0242,3.13);(137.0245,53.44);(151.0038,100.0);(152.0072,1.27);(163.0046,1.72);(165.0187,4.76);(178.9985,83.53);(190.994,1.02);(192.0066,5.3);(193.0135,4.66);(227.033,1.99);(245.0451,1.45);(271.0252,3.93);(289.0335,3.34);(299.0168,2.59);(317.0299,75.43)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99697,2.4);(109.02982,2.6);(111.00645,1.5);(153.01576,8.5);(154.02504,1.1);(165.01611,6.5);(189.05327,2.1);(190.06189,1.2);(199.01608,1.1);(208.03204,1.5);(217.05244,5.1);(232.0294,1.2);(245.04237,3.8);(246.0528,1.9);(273.0368,4.6);(290.03751,1.3);(301.93823,1.2);(319.04602,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(318.03107,1.2);(319.04459,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(39.0245,1.73);(41.0032,6.34);(53.0394,2.27);(63.0247,46.61);(65.0041,59.15);(81.0349,11.89);(83.0142,33.63);(91.0168,1.36);(96.0192,1.76);(107.0138,56.2);(108.0195,2.84);(109.0296,100.0);(119.0108,1.19);(124.0138,1.79);(125.0249,3.91);(135.0068,1.4);(137.0246,83.64);(151.0037,58.91);(152.0098,1.07);(163.0026,1.75);(164.009,2.56);(165.0184,5.78);(178.9967,2.88);(183.0458,1.06);(191.0324,1.83);(199.0403,1.24);(227.0323,1.81);(243.0257,1.34);(271.027,3.17)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(50.01731,14.9);(65.04032,10.8);(68.99767,25.7);(77.04089,21.3);(79.05385,14.5);(81.03143,20.3);(91.05445,13.5);(93.03122,7.8);(97.02764,18.2);(102.04044,6.8);(105.03139,6.8);(105.54864,6.1);(109.03354,9.5);(111.04337,9.1);(115.0564,23.0);(116.05814,5.7);(118.04617,15.5);(119.00905,24.3);(121.03149,12.5);(123.04018,5.7);(125.01916,15.2);(125.65482,6.4);(131.04427,5.7);(137.02583,6.8);(143.04793,20.3);(144.61847,9.5);(147.04134,14.2);(148.04855,12.8);(149.30922,6.1);(152.00609,5.7);(153.01578,100.0);(155.01782,10.8);(160.04517,11.1);(161.05902,8.1);(163.0325,11.8);(171.047,15.2);(173.03073,6.8);(174.03471,8.1);(177.04759,15.9);(178.02419,7.4);(188.049,18.2);(189.05531,9.8);(190.05652,7.4);(203.03371,18.2);(203.99838,8.4);(206.05193,11.8);(216.0266,11.1);(217.04915,6.1);(218.04991,6.8);(219.02182,10.5);(220.0349,20.3);(228.18167,7.1);(239.03621,8.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01521,1.1);(80.03062,1.7);(93.04045,2.6);(105.03611,2.0);(109.03139,4.8);(110.0322,1.3);(111.00955,15.0);(115.05098,1.8);(116.05046,1.3);(121.06893,2.0);(122.03439,1.1);(125.01935,2.9);(137.02861,5.9);(139.03268,1.4);(147.01447,2.0);(148.31038,1.7);(152.01294,1.6);(153.01866,100.0);(154.01503,3.0);(158.03233,2.1);(161.02545,4.2);(165.01656,19.6);(166.01878,5.5);(167.05879,1.1);(171.03622,1.6);(172.0519,2.2);(173.03835,2.6);(175.04233,2.2);(177.05644,3.3);(179.03537,5.8);(181.03464,1.4);(183.04051,1.1);(187.03665,2.3);(189.05806,6.2);(190.05042,2.0);(191.03108,1.1);(192.03232,1.2);(193.01056,1.6);(193.99139,2.3);(195.02754,3.4);(199.02502,1.8);(202.02878,1.3);(203.03392,7.1);(204.03949,3.0);(205.04871,2.6);(207.03131,1.4);(217.04649,36.0);(218.04683,3.4);(219.0484,3.2);(222.04506,1.2);(223.04089,1.8);(227.03931,1.7);(228.03256,2.2);(229.04581,4.3);(231.02498,3.7);(232.04211,2.3);(233.06628,2.3);(234.04753,2.6);(235.06248,1.9);(237.03792,2.2);(244.03874,5.9);(245.04167,36.3);(246.04195,2.7);(247.97005,1.8);(255.03207,3.9);(256.04193,1.6);(258.04874,1.2);(263.06702,1.1);(264.05307,2.1);(272.04089,2.7);(273.04193,37.5);(274.0535,1.9);(276.63583,1.5);(287.04611,1.6);(290.04831,5.6);(291.04462,1.5);(317.03363,1.4);(319.04178,16.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(90.39175,1.3);(91.05755,2.0);(93.02913,1.8);(105.03767,1.7);(109.02755,2.4);(110.02801,4.1);(111.00646,8.4);(112.00893,2.9);(115.37528,1.2);(121.02771,5.6);(123.04646,1.3);(125.02187,2.9);(133.02733,2.0);(135.04407,1.6);(137.02138,20.5);(138.03041,1.8);(139.04214,4.6);(146.06041,1.1);(147.04395,1.6);(149.02202,1.5);(153.01755,100.0);(154.0154,3.5);(157.02856,1.7);(159.0448,1.3);(161.05684,5.5);(165.01903,17.3);(166.02052,9.0);(167.81374,1.2);(168.83594,2.1);(171.04623,1.2);(172.03816,2.2);(173.06203,2.7);(174.06279,2.1);(175.02086,3.2);(177.05251,2.4);(179.03499,22.0);(180.0412,1.6);(181.07214,1.2);(189.05276,6.9);(190.05948,1.4);(191.02979,1.2);(192.03915,1.8);(192.9962,2.5);(194.02151,1.7);(195.02831,2.1);(196.03229,1.4);(198.04736,1.1);(199.03784,5.1);(203.03268,8.3);(204.03893,2.4);(205.04353,2.8);(207.02626,5.7);(208.02786,4.4);(209.05511,1.6);(211.04782,1.4);(215.02541,1.6);(216.04854,1.2);(217.04922,36.1);(218.05843,3.9);(219.0629,1.6);(220.03619,1.3);(222.0446,1.2);(227.0325,3.1);(229.03923,2.8);(231.03636,3.3);(234.05074,1.2);(235.05869,3.2);(240.02736,2.1);(241.05341,1.4);(243.01912,1.5);(244.04356,2.3);(245.04816,41.6);(246.05591,6.5);(247.04314,2.7);(248.03456,2.0);(249.03726,2.3);(255.0363,8.9);(255.54002,1.2);(261.0329,1.2);(262.04181,1.3);(263.05667,6.1);(271.02405,1.2);(273.0383,15.4);(274.0322,3.0);(275.04224,2.5);(285.05234,1.5);(290.0405,2.5);(291.04184,3.6);(292.04929,1.9);(301.02921,3.5);(302.03482,1.7);(319.0448,25.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.9957,35.8);(77.03973,9.7);(78.03526,6.4);(79.03962,12.5);(80.0194,6.9);(81.03413,46.4);(83.01598,12.8);(89.03686,10.6);(91.05424,10.8);(95.01005,7.8);(97.02721,22.8);(101.04183,7.8);(102.04095,5.0);(103.05886,8.9);(104.0545,6.4);(105.0672,6.1);(107.04227,13.6);(109.02641,38.6);(115.059,18.6);(116.06586,8.3);(119.05254,13.3);(120.05737,5.3);(121.02756,14.4);(123.32594,5.3);(124.00636,5.6);(125.02245,15.6);(126.02459,7.8);(127.04183,8.6);(131.02023,6.4);(133.03334,9.7);(137.02283,58.1);(138.02029,9.2);(139.03436,5.8);(146.04584,4.7);(148.05136,12.2);(151.03436,8.9);(152.0182,12.2);(153.01534,100.0);(154.02873,11.4);(159.04301,5.3);(161.065,10.8);(163.04196,5.8);(171.04361,13.6);(172.05696,13.1);(175.04657,10.0);(177.0504,6.9);(179.02148,8.1);(187.0352,10.6);(199.0379,7.2);(200.05481,5.0);(201.86807,8.3);(203.03276,5.6);(215.02199,10.6);(217.03954,7.2);(218.0502,12.5);(229.0457,7.2);(230.01443,8.9);(233.04091,6.1);(245.03654,12.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(317.02356,1.8);(318.03265,1.1);(319.04459,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.01482,2.91);(109.02782,2.34);(137.02359,28.79);(138.03914,1.17);(151.00067,60.11);(151.50815,1.17);(165.01939,1.17);(179.00244,38.95);(179.54553,1.17);(190.99881,1.17);(192.00682,1.75);(193.0058,1.17);(271.02231,1.17);(317.03549,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.014,25.03);(109.0298,59.02);(125.0248,9.65);(137.0244,100.0);(138.0279,8.55);(151.0041,45.66);(155.0351,10.35);(165.0195,8.61);(169.0137,13.24)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.00271,1.5);(137.02718,1.4);(153.01942,7.5);(154.02126,1.1);(165.01668,1.1);(166.02585,2.2);(189.05627,1.4);(217.04575,1.7);(244.02908,1.1);(245.04489,3.5);(273.04266,3.1);(319.04474,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.0144,24.6);(56.01657,5.2);(65.03531,6.2);(67.01188,7.7);(68.99461,9.2);(77.03871,35.7);(79.02059,14.5);(80.02146,6.2);(80.96895,6.2);(91.05476,23.4);(92.04796,8.0);(93.03353,7.1);(95.01522,6.2);(96.01321,8.6);(97.02037,7.4);(103.05299,16.3);(106.07713,8.9);(109.02736,20.3);(112.01004,8.3);(115.05434,24.9);(116.05399,10.8);(119.00631,6.5);(121.02607,33.8);(123.04224,22.8);(124.01571,7.1);(126.03159,6.2);(127.06033,9.2);(131.04861,18.2);(133.06412,10.8);(134.03629,8.6);(136.01933,8.3);(137.02341,18.5);(147.03197,6.2);(149.06345,10.2);(152.01305,16.3);(153.01907,100.0);(154.03996,6.2);(155.05215,12.6);(160.05019,6.2);(161.02635,6.8);(171.04622,47.1);(172.19968,11.7);(175.01642,9.2);(177.0463,9.2);(179.02948,5.5);(188.03627,8.3);(190.0612,9.5);(200.05177,5.5);(203.03781,7.7);(204.04501,7.1);(216.03661,7.4);(217.05728,7.1);(219.04115,9.2);(227.03404,12.9);(245.03671,9.2);(255.02176,5.2);(256.04086,7.7);(319.04138,8.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.9927,1.4);(69.00254,2.0);(79.01794,1.9);(95.04828,2.4);(97.02823,1.5);(109.0308,2.4);(111.00761,15.1);(112.01587,1.7);(121.02808,1.7);(125.01738,1.4);(126.02901,1.9);(133.05952,1.1);(134.06763,1.2);(137.02121,10.0);(138.02122,2.0);(143.04634,2.1);(147.0468,1.1);(149.01651,1.7);(153.01749,100.0);(154.02156,5.0);(155.00117,1.1);(156.0564,2.2);(161.05122,3.0);(163.03706,2.4);(165.01747,42.1);(166.02042,1.9);(171.0455,3.2);(172.04921,1.7);(175.02234,1.3);(177.05554,3.7);(179.03482,17.1);(180.03337,2.8);(184.05841,1.1);(186.09708,2.1);(189.05617,4.1);(190.02742,2.0);(195.03516,3.3);(199.03613,7.8);(200.04596,1.5);(203.03448,10.3);(204.03008,2.0);(205.05734,1.4);(206.41943,1.4);(207.02689,1.6);(217.04546,21.4);(218.06139,1.9);(219.01749,1.3);(221.00879,1.5);(227.03764,2.4);(228.71329,1.3);(231.01962,2.0);(232.02757,1.1);(233.03415,3.9);(235.06105,3.2);(236.05969,1.5);(239.0302,1.1);(244.03966,2.9);(245.04703,30.0);(246.05605,4.2);(248.02298,1.5);(249.03526,1.5);(255.01801,3.8);(256.03601,1.9);(259.048,1.1);(261.02734,1.8);(263.05368,1.6);(272.02219,3.2);(273.04114,16.1);(274.04276,9.9);(275.03793,2.5);(290.0415,8.4);(291.04538,2.4);(301.03635,1.8);(319.04132,26.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01521,1.1);(68.99371,1.0);(80.03062,1.7);(93.04045,2.6);(105.03611,2.0);(109.03139,4.8);(110.0322,1.3);(111.00955,15.02);(115.05098,1.8);(116.05046,1.3);(121.06893,2.0);(122.03439,1.1);(123.03091,1.0);(125.01935,2.9);(137.02861,5.91);(139.03268,1.4);(145.06349,1.0);(147.01447,2.0);(148.31038,1.7);(152.01294,1.6);(153.01866,100.0);(154.01503,3.0);(158.03233,2.1);(159.0484,1.0);(161.02545,4.2);(165.01656,19.62);(166.01878,5.51);(167.05879,1.1);(171.03622,1.6);(172.0519,2.2);(173.03835,2.6);(175.04233,2.2);(177.05644,3.3);(179.03537,5.81);(181.03464,1.4);(183.04051,1.1);(187.03665,2.3);(189.05806,6.21);(190.05042,2.0);(191.03108,1.1);(192.03232,1.2);(193.01056,1.6);(193.99139,2.3);(195.02754,3.4);(199.02502,1.8);(202.02878,1.3);(203.03392,7.11);(204.03949,3.0);(205.04871,2.6);(207.03131,1.4);(211.31641,1.0);(217.04649,36.04);(218.04683,3.4);(219.0484,3.2);(222.04506,1.2);(223.04089,1.8);(227.03931,1.7);(228.03256,2.2);(229.04581,4.3);(230.17949,1.0);(231.02498,3.7);(232.04211,2.3);(233.06628,2.3);(234.04753,2.6);(235.06248,1.9);(237.03792,2.2);(244.03874,5.91);(245.04167,36.34);(246.04195,2.7);(247.97005,1.8);(255.03207,3.9);(256.04193,1.6);(258.04874,1.2);(263.06702,1.1);(264.05307,2.1);(272.04089,2.7);(273.04193,37.54);(274.0535,1.9);(276.63583,1.5);(287.04611,1.6);(290.04831,5.61);(291.04462,1.5);(317.03363,1.4);(319.04178,16.42)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(137.02092,2.8);(151.00021,2.9);(152.00606,1.0);(178.99742,12.31);(179.99707,2.3);(192.00694,1.0);(193.01414,2.9);(287.01382,1.9);(288.02109,4.8);(289.02417,1.6);(315.01724,11.21);(316.01801,15.82);(317.0285,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.9927,1.4);(69.00254,2.0);(79.01794,1.9);(95.04828,2.4);(97.02823,1.5);(107.05203,1.0);(109.0308,2.4);(111.00761,15.12);(112.01587,1.7);(119.0112,1.0);(121.02808,1.7);(125.01738,1.4);(126.02901,1.9);(131.04712,1.0);(133.05952,1.1);(134.06763,1.2);(135.00418,1.0);(137.02121,10.01);(138.02122,2.0);(143.04634,2.1);(147.0468,1.1);(149.01651,1.7);(153.01749,100.0);(154.02156,5.01);(155.00117,1.1);(156.0564,2.2);(161.05122,3.0);(163.03706,2.4);(165.01747,42.14);(166.02042,1.9);(171.0455,3.2);(172.04921,1.7);(175.02234,1.3);(177.05554,3.7);(178.0649,1.0);(179.03482,17.12);(180.03337,2.8);(182.03838,1.0);(184.05841,1.1);(186.09708,2.1);(187.02422,1.0);(188.05824,1.0);(189.05617,4.1);(190.02742,2.0);(191.03102,1.0);(195.03516,3.3);(199.03613,7.81);(200.04596,1.5);(203.03448,10.31);(204.03008,2.0);(205.05734,1.4);(206.41943,1.4);(207.02689,1.6);(217.04546,21.42);(218.06139,1.9);(219.01749,1.3);(221.00879,1.5);(227.03764,2.4);(228.71329,1.3);(231.01962,2.0);(232.02757,1.1);(233.03415,3.9);(234.04591,1.0);(235.06105,3.2);(236.05969,1.5);(239.0302,1.1);(240.23267,1.0);(244.03966,2.9);(245.04703,30.03);(246.05605,4.2);(246.65047,1.0);(248.02298,1.5);(249.03526,1.5);(255.01801,3.8);(256.03601,1.9);(259.048,1.1);(261.02734,1.8);(263.05368,1.6);(272.02219,3.2);(273.04114,16.12);(274.04276,9.91);(275.03793,2.5);(277.00711,1.0);(290.0415,8.41);(291.04538,2.4);(301.03635,1.8);(319.04132,26.73)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.00271,1.5);(137.02718,1.4);(153.01942,7.51);(154.02126,1.1);(165.01668,1.1);(166.02585,2.2);(179.03827,1.0);(189.05627,1.4);(217.04575,1.7);(244.02908,1.1);(245.04489,3.5);(273.04266,3.1);(319.04474,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99697,2.4);(109.02982,2.6);(111.00645,1.5);(153.01576,8.51);(154.02504,1.1);(165.01611,6.51);(189.05327,2.1);(190.06189,1.2);(194.97585,1.0);(199.01608,1.1);(208.03204,1.5);(217.05244,5.11);(232.0294,1.2);(245.04237,3.8);(246.0528,1.9);(273.0368,4.6);(290.03751,1.3);(301.93823,1.2);(319.04602,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.50441,1.0);(77.02767,1.0);(90.39175,1.3);(91.05755,2.0);(93.02913,1.8);(105.03767,1.7);(109.02755,2.4);(110.02801,4.1);(111.00646,8.41);(112.00893,2.9);(115.37528,1.2);(121.02771,5.61);(123.04646,1.3);(125.02187,2.9);(133.02733,2.0);(135.04407,1.6);(137.02138,20.52);(138.03041,1.8);(139.04214,4.6);(146.06041,1.1);(147.04395,1.6);(149.02202,1.5);(153.01755,100.0);(154.0154,3.5);(157.02856,1.7);(159.0448,1.3);(161.05684,5.51);(162.05994,1.0);(165.01903,17.32);(166.02052,9.01);(167.81374,1.2);(168.83594,2.1);(171.04623,1.2);(172.03816,2.2);(173.06203,2.7);(174.06279,2.1);(175.02086,3.2);(177.05251,2.4);(179.03499,22.02);(180.0412,1.6);(181.07214,1.2);(189.05276,6.91);(190.05948,1.4);(191.02979,1.2);(192.03915,1.8);(192.9962,2.5);(194.02151,1.7);(195.02831,2.1);(196.03229,1.4);(198.04736,1.1);(199.03784,5.11);(203.03268,8.31);(204.03893,2.4);(205.04353,2.8);(207.02626,5.71);(208.02786,4.4);(209.05511,1.6);(211.04782,1.4);(212.62044,1.0);(215.02541,1.6);(216.04854,1.2);(217.04922,36.14);(218.05843,3.9);(219.0629,1.6);(220.03619,1.3);(221.01756,1.0);(222.0446,1.2);(227.0325,3.1);(229.03923,2.8);(231.03636,3.3);(232.03566,1.0);(234.05074,1.2);(235.05869,3.2);(240.02736,2.1);(241.05341,1.4);(243.01912,1.5);(244.04356,2.3);(245.04816,41.64);(246.05591,6.51);(247.04314,2.7);(248.03456,2.0);(249.03726,2.3);(255.0363,8.91);(255.54002,1.2);(261.0329,1.2);(262.04181,1.3);(263.05667,6.11);(271.02405,1.2);(273.0383,15.42);(274.0322,3.0);(275.04224,2.5);(285.05234,1.5);(290.0405,2.5);(291.04184,3.6);(292.04929,1.9);(301.02921,3.5);(302.03482,1.7);(319.0448,25.73)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.0081,2.3);(137.0235,1.9);(153.0184,17.82);(154.0219,1.2);(165.0184,8.71);(166.0245,1.4);(179.0338,2.6);(183.0287,2.2);(189.0548,1.1);(195.0287,1.8);(217.0496,4.4);(245.0444,10.41);(246.0483,1.3);(255.0285,1.0);(263.055,2.5);(273.0394,13.11);(274.0431,2.0);(290.0421,3.8);(291.0482,1.3);(301.0345,4.0);(319.0452,100.0);(320.0483,14.61);(321.0504,2.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(319.045,100.0);(320.0483,15.05);(321.0502,2.73)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(319.0445,100.0);(320.0478,13.49);(321.0498,2.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(109.0286,3.5);(111.0082,6.21);(121.0288,1.7);(125.0234,1.5);(126.0312,1.8);(133.0289,1.5);(137.0236,11.91);(138.0282,1.0);(139.0393,3.4);(147.0444,1.7);(149.0236,1.6);(153.0185,100.0);(154.022,7.61);(161.0602,3.0);(165.0185,17.62);(166.0249,4.0);(171.044,2.6);(175.0394,1.7);(177.0552,2.4);(179.034,10.01);(183.0289,4.8);(189.0547,11.31);(191.0339,1.3);(193.0132,1.9);(194.0204,1.3);(195.0289,5.31);(199.0388,3.8);(203.0339,6.61);(204.0399,1.2);(205.0486,1.0);(207.0288,2.7);(208.036,1.8);(216.0411,1.0);(217.0496,40.44);(218.0529,4.9);(219.029,3.9);(221.0444,3.2);(227.0342,2.8);(229.0496,2.5);(231.0291,2.3);(232.0362,2.7);(233.044,1.4);(235.0598,3.6);(244.0369,3.4);(245.0445,38.14);(246.0479,4.8);(255.0289,4.2);(263.0551,1.8);(272.0321,1.7);(273.0395,24.62);(274.0432,3.8);(290.0425,5.71);(291.0475,1.1);(301.0342,3.7);(319.045,25.33);(320.0487,3.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(109.0286,3.51);(111.0082,6.22);(121.0288,1.65);(125.0234,1.52);(126.0312,1.77);(133.0289,1.53);(137.0236,11.96);(138.0282,1.04);(139.0393,3.37);(147.0444,1.71);(149.0236,1.61);(153.0185,100.0);(154.022,7.56);(161.0602,3.0);(165.0185,17.64);(166.0249,4.01);(171.044,2.58);(175.0394,1.72);(177.0552,2.38);(179.034,9.98);(183.0289,4.78);(189.0547,11.27);(191.0339,1.32);(193.0132,1.89);(194.0204,1.33);(195.0289,5.27);(199.0388,3.81);(203.0339,6.63);(204.0399,1.21);(205.0486,1.05);(207.0288,2.67);(208.036,1.83);(216.0411,1.04);(217.0496,40.41);(218.0529,4.92);(219.029,3.88);(221.0444,3.18);(227.0342,2.76);(229.0496,2.54);(231.0291,2.34);(232.0362,2.68);(233.044,1.43);(235.0598,3.63);(244.0369,3.44);(245.0445,38.12);(246.0479,4.81);(255.0289,4.23);(263.0551,1.8);(272.0321,1.66);(273.0395,24.67);(274.0432,3.81);(290.0425,5.72);(291.0475,1.1);(301.0342,3.66);(319.045,25.31);(320.0487,3.64)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.0081,2.34);(137.0235,1.91);(153.0184,17.82);(154.0219,1.21);(165.0184,8.76);(166.0245,1.37);(179.0338,2.63);(183.0287,2.19);(189.0548,1.07);(195.0287,1.75);(217.0496,4.39);(245.0444,10.45);(246.0483,1.32);(255.0285,1.01);(263.055,2.55);(273.0394,13.07);(274.0431,1.98);(290.0421,3.76);(291.0482,1.31);(301.0345,4.02);(319.0452,100.0);(320.0483,14.66);(321.0504,2.68)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.0161,17.52);(315.012,100.0);(316.0151,25.83);(317.0264,49.45)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(137.02402,2.2);(151.00143,1.4);(178.99375,6.4);(317.01357,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0708,2.2);(109.0288,5.31);(111.0079,3.6);(115.0548,3.6);(121.0291,4.3);(123.0447,1.9);(125.0237,2.5);(133.0654,3.0);(137.0236,13.81);(139.0394,3.4);(143.0495,2.2);(147.0447,5.61);(149.0233,2.3);(152.0111,2.2);(153.0187,100.0);(154.022,7.21);(161.06,6.61);(163.0393,3.1);(165.0183,6.81);(166.0255,2.4);(171.0445,9.91);(175.039,3.6);(177.0547,2.5);(179.0339,8.71);(183.0291,1.5);(187.0389,1.5);(189.0547,12.11);(190.0577,1.5);(191.0339,1.6);(193.0132,1.9);(195.0294,3.1);(199.0388,5.01);(200.0453,1.7);(203.034,10.41);(204.0393,2.0);(205.0491,1.5);(207.0289,1.5);(208.0363,1.9);(209.0446,1.4);(216.0416,3.4);(217.0494,36.24);(218.0527,4.7);(219.0286,8.81);(221.0446,1.9);(227.034,4.0);(229.0489,1.4);(231.029,1.6);(232.0359,1.7);(233.0439,1.6);(235.0597,2.0);(244.0366,3.3);(245.0444,19.72);(246.0479,2.7);(255.0288,2.6);(273.0393,5.71);(301.0347,1.4);(319.0454,1.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(137.02534,1.6);(153.01488,9.41);(165.01891,1.4);(166.02158,1.4);(179.0316,3.5);(203.03209,2.0);(217.05841,2.7);(218.06255,1.1);(245.04259,5.21);(273.03613,3.2);(290.04727,1.9);(301.04004,1.7);(317.03522,1.0);(319.04651,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(137.02534,1.6);(153.01488,9.4);(165.01891,1.4);(166.02158,1.4);(179.0316,3.5);(203.03209,2.0);(217.05841,2.7);(218.06255,1.1);(245.04259,5.2);(273.03613,3.2);(290.04727,1.9);(301.04004,1.7);(319.04651,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(317.01639,1.1);(317.03668,1.7);(318.02356,1.1);(319.04327,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(151.00114,3.9);(178.99408,8.01);(287.01743,4.2);(288.02133,3.2);(289.03091,1.0);(315.01331,16.72);(316.01682,21.72);(317.02856,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(37.01226,1.5);(63.02573,2.4);(65.005,2.7);(107.01463,4.7);(109.03042,5.8);(125.02288,1.6);(137.02262,38.8);(148.01237,1.3);(151.00058,100.0);(152.00875,1.2);(158.03634,1.2);(162.99722,1.4);(164.009,1.8);(165.01576,4.5);(178.99414,78.4);(190.99306,1.4);(192.00047,8.6);(193.00846,2.0);(221.03688,1.7);(227.02489,1.8);(255.01201,1.7);(261.02567,1.8);(271.01165,5.1);(289.02002,3.4);(299.0029,1.8);(317.01346,73.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.0176,100.0);(288.0219,26.73);(315.0134,64.06);(316.0163,15.92);(317.0273,49.95);(318.0326,15.02)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(153.0181,5.84);(165.01451,3.56);(204.03839,2.67);(217.04903,2.67);(245.04704,4.45);(273.03827,4.45);(319.04855,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0708,2.25);(109.0288,5.34);(111.0079,3.65);(115.0548,3.65);(121.0291,4.29);(123.0447,1.94);(125.0237,2.52);(133.0654,2.96);(137.0236,13.85);(139.0394,3.43);(143.0495,2.16);(147.0447,5.59);(149.0233,2.32);(152.0111,2.22);(153.0187,100.0);(154.022,7.19);(161.06,6.64);(163.0393,3.06);(165.0183,6.78);(166.0255,2.43);(171.0445,9.86);(175.039,3.61);(177.0547,2.52);(179.0339,8.67);(183.0291,1.54);(187.0389,1.48);(189.0547,12.12);(190.0577,1.47);(191.0339,1.61);(193.0132,1.91);(195.0294,3.14);(199.0388,5.03);(200.0453,1.68);(203.034,10.44);(204.0393,2.02);(205.0491,1.47);(207.0289,1.53);(208.0363,1.88);(209.0446,1.42);(216.0416,3.41);(217.0494,36.25);(218.0527,4.75);(219.0286,8.82);(221.0446,1.92);(227.034,4.02);(229.0489,1.44);(231.029,1.63);(232.0359,1.71);(233.0439,1.59);(235.0597,2.0);(244.0366,3.26);(245.0444,19.76);(246.0479,2.66);(255.0288,2.56);(273.0393,5.71);(301.0347,1.45);(319.0454,1.29)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.00623,7.5);(53.04064,1.7);(63.0261,37.6);(65.00573,47.1);(80.03045,1.2);(81.03603,17.3);(83.01567,20.2);(89.00497,3.6);(93.03586,1.1);(105.03369,2.3);(107.01476,48.0);(109.03008,100.0);(121.02724,2.4);(124.01554,3.0);(125.02159,4.2);(132.01768,1.4);(135.00585,4.0);(136.01152,1.8);(137.0234,63.2);(139.05027,1.7);(147.00385,3.1);(151.00103,40.7);(152.00714,1.7);(155.05014,2.9);(161.06113,1.5);(164.00686,2.8);(165.01416,6.7);(174.02569,1.4);(178.99716,4.8);(183.03735,1.9);(185.02075,1.6);(188.04075,1.3);(191.03056,2.4);(205.00623,1.6);(215.02541,1.4);(227.32758,1.4);(259.01385,1.9);(271.01748,5.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.0079,1.4);(137.0195,1.23);(153.0141,5.28);(162.9755,2.85);(165.0162,5.87);(179.0332,1.13);(217.0462,2.11);(245.0456,3.71);(263.0484,1.17);(273.0369,7.29);(301.0292,2.14);(319.0448,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(151.00114,3.9);(178.99408,8.0);(287.01743,4.2);(288.02133,3.2);(315.01331,16.7);(316.01682,21.7);(317.02856,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(137.0241,6.05);(151.0034,9.14);(178.9984,19.04);(180.0014,1.91);(192.0062,1.72);(289.0357,1.73);(317.03,100.0);(318.0335,17.26);(319.0347,3.68)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(317.0305,100.0);(318.0337,18.01);(319.0362,3.23)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(137.01891,1.9);(151.0006,4.1);(178.99821,13.0);(271.02536,1.2);(287.01682,4.3);(288.02036,3.1);(315.01596,13.2);(316.01859,17.6);(317.02927,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(153.0137,1.32);(162.9717,1.64);(240.9862,1.19);(319.0449,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0145,4.73);(109.0298,5.07);(125.0246,4.32);(137.0244,66.03);(138.0276,8.84);(151.0037,100.0);(152.0078,8.57);(165.0193,14.55);(169.0142,20.06);(178.9988,70.32);(180.0021,7.45);(192.007,4.45);(193.0134,4.39);(271.0256,7.68);(289.0368,4.86);(299.0193,4.35);(317.0306,36.52);(318.0341,6.09)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02082,31.0);(65.0041,12.8);(81.03316,10.2);(82.03406,13.7);(84.01591,8.0);(95.04836,11.1);(105.03503,11.9);(109.02625,100.0);(111.02067,10.6);(120.0508,9.3);(122.02878,10.6);(125.0206,12.8);(126.02832,8.8);(135.03923,9.7);(137.0275,8.0);(147.03262,11.1);(197.02792,12.8);(214.02379,13.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(137.02092,2.8);(151.00021,2.9);(178.99742,12.3);(179.99707,2.3);(193.01414,2.9);(287.01382,1.9);(288.02109,4.8);(289.02417,1.6);(315.01724,11.2);(316.01801,15.8);(317.0285,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.026488732);(59.01330434,0.015822589);(92.99765427,0.0281455043);(95.01330434,0.0703591968);(111.0446045,0.0485674867);(125.023869,3.925665719);(137.023869,0.0959720712);(153.0187836,0.4169808391);(177.0187836,0.0142415691);(181.0136983,0.0514654463);(183.0293483,0.2212487059);(195.0293483,0.2652923053);(209.0086129,0.0359468184);(219.0293483,0.0249816579);(235.0242629,0.0925729583);(245.0086129,0.0347297918);(247.0242629,0.0174625808);(249.039913,0.0138661022);(261.039913,0.0348590807);(263.0555631,0.059035484);(271.0242629,0.0510423412);(275.0191776,0.2955224059);(277.0348276,0.1309488506);(277.0348276,0.0817633478);(283.0242629,0.0160416774);(287.0191776,0.6315305714);(289.0348276,1.301199762);(301.0348276,3.961558486);(301.0348276,9.221635024);(303.0140922,0.6466769393);(319.0453923,78.16837596)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(31.01838972,0.3530679751);(43.01838972,0.2354893089);(56.99765427,0.4465343792);(59.01330434,0.596369584);(85.0289544,0.4035784446);(92.99765427,0.2976301828);(95.01330434,0.3831774152);(111.0446045,0.2224447761);(125.023869,10.40018812);(137.023869,0.9895463239);(139.0395191,0.2638116507);(153.0187836,1.731599604);(165.0187836,0.3114362568);(167.0344337,1.22861122);(195.0293483,0.3795992051);(219.0293483,1.170174621);(235.0242629,0.4261275466);(245.0086129,0.411866036);(245.0449984,0.2446788475);(247.0242629,0.2058214147);(261.039913,1.105264589);(263.0555631,1.065811932);(271.0242629,0.3102254741);(275.0191776,1.038836903);(277.0348276,1.309151806);(287.0191776,0.7146156294);(289.0348276,5.265271305);(301.0348276,6.143689785);(301.0348276,12.01005015);(303.0140922,1.414190104);(319.0453923,48.9211394)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,0.8808694419);(56.99765427,1.1541979);(67.01838972,5.415703468);(68.99765427,1.778426513);(69.03403978,7.615584008);(85.0289544,0.8973247292);(92.99765427,2.599747172);(93.03403978,2.156572675);(95.01330434,5.569724766);(97.0289544,0.9268354095);(111.0446045,2.078790796);(121.0289544,3.596189652);(123.008219,2.957070973);(125.023869,11.50614705);(135.008219,3.662904588);(137.023869,7.098695494);(149.023869,0.9293543024);(153.0187836,13.66776093);(219.0293483,1.114657851);(233.0449984,1.173941111);(235.0242629,1.238014673);(245.0449984,4.357866586);(259.0242629,1.257831508);(263.0555631,1.12775545);(271.0242629,1.833341055);(275.0191776,1.299481582);(277.0348276,1.547877443);(289.0348276,1.112641992);(301.0348276,3.527362593);(301.0348276,4.976335393);(303.0140922,0.9409929006)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.0557706735);(41.00273965,0.0977447208);(43.01838972,0.0220275433);(71.01330434,0.0615310405);(83.01330434,0.0242857749);(109.0289544,0.254208333);(123.008219,0.0787277297);(135.008219,0.5138190336);(137.023869,0.0368727294);(151.0031336,2.354856401);(153.0187836,0.2634275554);(163.0031336,0.0679798966);(165.0187836,1.474528734);(175.0031336,0.0395105968);(181.0136983,0.707249588);(193.0136983,1.087766053);(233.0086129,0.0280419339);(243.0293483,0.0332795813);(245.0086129,0.2918643292);(247.0242629,0.2387358903);(259.0242629,0.3808794093);(261.039913,1.596142846);(273.0035275,0.0933136221);(275.0191776,0.2753001713);(275.0191776,0.1110065585);(285.0035275,0.05222445);(287.0191776,0.6026019671);(299.0191776,3.026648979);(300.9984421,0.1441091682);(300.9984421,0.0301678295);(317.0297422,85.95537686)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,0.675308983);(71.01330434,0.6916458771);(83.01330434,0.2878930071);(109.0289544,0.6710919609);(123.008219,0.484433878);(135.008219,0.8615492187);(137.023869,0.2385754456);(151.0031336,5.396040114);(153.0187836,0.1945505004);(163.0031336,0.3354344198);(165.0187836,3.479964902);(175.0031336,0.1816973316);(181.0136983,0.2446428112);(193.0136983,2.904211349);(217.0136983,0.5109831159);(219.0293483,0.1919996278);(233.0086129,0.4600081901);(242.9929628,0.2277127323);(245.0086129,0.7677724155);(247.0242629,1.06432108);(259.0242629,2.002357892);(261.039913,3.399915752);(273.0035275,0.9893560406);(273.0035275,0.2122781089);(275.0191776,2.446548235);(275.0191776,0.6955393282);(285.0035275,0.4303798176);(287.0191776,0.7105438128);(299.0191776,6.696484363);(300.9984421,1.149152822);(317.0297422,61.39760687)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,6.595353493);(65.00273965,6.499690969);(67.01838972,4.666817925);(83.01330434,3.87768754);(91.01838972,3.024806583);(92.99765427,3.575424608);(107.0133043,1.988675227);(109.0289544,10.22609776);(119.0133043,1.176040164);(123.008219,2.394594836);(135.008219,7.684111543);(137.023869,1.145850032);(147.008219,1.392011681);(151.0031336,8.396261854);(153.0187836,1.014970172);(163.0031336,1.83980029);(165.0187836,7.892165343);(175.0031336,1.799146516);(193.0136983,2.034745185);(217.0136983,1.941330906);(219.0293483,2.153960891);(233.0086129,1.545785607);(242.9929628,1.373628196);(245.0086129,0.9727986056);(247.0242629,2.471022);(261.039913,1.961184993);(275.0191776,2.667153915);(285.0035275,0.9987169115);(287.0191776,2.186951416);(299.0191776,3.335804493);(317.0297422,1.16741034)

Food Sources

Name	Group
American cranberry	Fruit, Berries	Publications	Show
Black tea	Teas and herbal teas		Show
Blackberry	Fruit, Berries	Publications	Show
Blackcurrant	Fruit, Berries		Show
Broccoli	Vegetables, Cabbages		Show
Common bean	Pulses and beans		Show
Common cabbage	Vegetables, Cabbages		Show
European cranberry	Fruit, Berries	Publications	Show
Red wine	Beverages, Alcoholic		Show
Strawberry	Fruit, Berries	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
Myricetin	Myricetin 3-O-glucuronide	Not Available	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₁H₁₈O₁₄	494.06965526
Myricetin	Myricetin 5-O-glucuronide	Not Available	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₁H₁₈O₁₄	494.06965526
Myricetin	Myricetin 7-O-glucuronide	Not Available	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₁H₁₈O₁₄	494.06965526
Cranberry flavonols	Myricetin	human	plasma, urine	unknown	Not Available	Not Available	Not Available	C₁₅H₁₀O₈	318.037567282	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Myricetin