PhytoHub: Showing entry for Kaempferol

Kaempferol

Identification

PhytoHub ID

PHUB000672

Name

Kaempferol

Systematic Name

Not Available

Synonyms

3,5,7,4'-Tetrahydroxyflavone

CAS Number

Not Available

Average Mass

286.239

Monoisotopic Mass

286.047738042

Chemical Formula

C₁₅H₁₀O₆

IUPAC Name

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

InChI Key

IYRMWMYZSQPJKC-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H

SMILES

OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.78e-01 g/l
LogS (ALOGPS): -3.21
LogP (ALOGPS): 1.99
Hydrogen Acceptors: 6
Hydrogen Donors: 4
Rotatable Bond Count: 1
Polar Surface Area: 107.22000000000001
Refractivity: 74.8813
Polarizability: 27.58839078559376
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.921626650503836
pKa (strongest acidic): 6.3798758258778765
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: 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", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "tetrahydroxyflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "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", "Vinylogous acid"]

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	(85.0,0.0810810811);(86.0,0.036036036);(87.0,0.0560560561);(88.0,0.047047047);(89.0,0.1041041041);(90.0,0.043043043);(91.0,0.1891891892);(92.0,0.029029029);(93.0,0.0680680681);(94.0,0.016016016);(95.0,0.047047047);(96.0,0.02002002);(97.0,0.041041041);(98.0,0.023023023);(99.0,0.1531531532);(100.0,0.023023023);(101.0,0.046046046);(102.0,0.032032032);(103.0,0.1491491491);(104.0,0.0670670671);(105.0,0.1671671672);(106.0,0.031031031);(107.0,0.0710710711);(108.0,0.013013013);(109.0,0.048048048);(110.0,0.022022022);(111.0,0.032032032);(112.0,0.018018018);(113.0,0.028028028);(114.0,0.024024024);(115.0,0.1711711712);(116.0,0.04004004);(117.0,0.0770770771);(118.0,0.033033033);(119.0,0.1561561562);(120.0,0.046046046);(121.0,0.1551551552);(122.0,0.02002002);(123.0,0.036036036);(124.0,0.009009009);(125.0,0.015015015);(126.0,0.022022022);(127.0,0.049049049);(128.0,0.044044044);(129.0,0.0610610611);(130.0,0.007007007);(131.0,0.1261261261);(132.0,0.033033033);(133.0,0.5895895896);(134.0,0.1091091091);(135.0,0.2542542543);(136.0,0.035035035);(137.0,0.0500500501);(138.0,0.038038038);(139.0,0.0600600601);(140.0,0.022022022);(141.0,0.0570570571);(142.0,0.023023023);(143.0,0.0700700701);(144.0,0.014014014);(145.0,0.0580580581);(146.0,0.032032032);(147.0,0.4174174174);(148.0,0.0900900901);(149.0,0.1611611612);(150.0,0.0740740741);(151.0,0.0860860861);(152.0,0.0610610611);(153.0,0.0600600601);(154.0,0.022022022);(155.0,0.048048048);(156.0,0.02002002);(157.0,0.041041041);(158.0,0.015015015);(159.0,0.031031031);(160.0,0.013013013);(161.0,0.0600600601);(162.0,0.036036036);(163.0,0.1361361361);(164.0,0.0630630631);(165.0,0.1851851852);(166.0,0.0540540541);(167.0,0.0610610611);(168.0,0.036036036);(169.0,0.047047047);(170.0,0.02002002);(171.0,0.038038038);(172.0,0.011011011);(173.0,0.024024024);(174.0,0.016016016);(175.0,0.0510510511);(176.0,0.0680680681);(177.0,0.1591591592);(178.0,0.1091091091);(179.0,0.1401401401);(180.0,0.043043043);(181.0,0.0580580581);(182.0,0.023023023);(183.0,0.043043043);(184.0,0.041041041);(185.0,0.029029029);(186.0,0.018018018);(187.0,0.036036036);(188.0,0.024024024);(189.0,0.1191191191);(190.0,0.0530530531);(191.0,0.2282282282);(192.0,0.0780780781);(193.0,0.5685685686);(194.0,0.1171171171);(195.0,0.1051051051);(196.0,0.024024024);(197.0,0.037037037);(198.0,0.025025025);(199.0,0.035035035);(200.0,0.018018018);(201.0,0.026026026);(202.0,0.0520520521);(203.0,0.0600600601);(204.0,0.024024024);(205.0,0.0720720721);(206.0,0.048048048);(207.0,0.1761761762);(208.0,0.037037037);(209.0,0.0850850851);(210.0,0.035035035);(211.0,0.04004004);(212.0,0.019019019);(213.0,0.024024024);(214.0,0.045045045);(215.0,0.041041041);(216.0,0.018018018);(217.0,0.038038038);(218.0,0.027027027);(219.0,0.0550550551);(220.0,0.045045045);(221.0,0.0820820821);(222.0,0.029029029);(223.0,0.0830830831);(224.0,0.035035035);(225.0,0.037037037);(226.0,0.009009009);(227.0,0.049049049);(228.0,0.0740740741);(229.0,0.034034034);(230.0,0.008008008);(231.0,0.016016016);(232.0,0.014014014);(233.0,0.042042042);(234.0,0.025025025);(235.0,0.0870870871);(236.0,0.1061061061);(237.0,0.0950950951);(238.0,0.026026026);(239.0,0.0580580581);(240.0,0.033033033);(241.0,0.031031031);(242.0,0.016016016);(243.0,0.025025025);(244.0,0.011011011);(245.0,0.016016016);(246.0,0.009009009);(247.0,0.032032032);(248.0,0.023023023);(249.0,0.0500500501);(250.0,0.025025025);(251.0,0.0580580581);(252.0,0.038038038);(253.0,0.0660660661);(254.0,0.022022022);(255.0,0.031031031);(256.0,0.019019019);(257.0,0.044044044);(258.0,0.026026026);(259.0,0.016016016);(260.0,0.011011011);(261.0,0.019019019);(262.0,0.013013013);(263.0,0.033033033);(264.0,0.0570570571);(265.0,0.0940940941);(266.0,0.0530530531);(267.0,0.0790790791);(268.0,0.04004004);(269.0,0.0570570571);(270.0,0.032032032);(271.0,0.0630630631);(272.0,1.0);(273.0,0.3883883884);(274.0,0.0610610611);(275.0,0.028028028);(276.0,0.008008008);(277.0,0.036036036);(278.0,0.022022022);(279.0,0.0910910911);(280.0,0.0830830831);(281.0,0.0560560561);(282.0,0.025025025);(283.0,0.038038038);(284.0,0.013013013);(285.0,0.034034034);(286.0,0.024024024);(287.0,0.049049049);(288.0,0.02002002);(289.0,0.026026026);(290.0,0.006006006);(291.0,0.023023023);(292.0,0.011011011);(293.0,0.046046046);(294.0,0.028028028);(295.0,0.0880880881);(296.0,0.041041041);(297.0,0.048048048);(298.0,0.015015015);(299.0,0.019019019);(300.0,0.003003003);(301.0,0.019019019);(302.0,0.009009009);(303.0,0.012012012);(304.0,0.01001001);(305.0,0.022022022);(306.0,0.021021021);(307.0,0.042042042);(308.0,0.031031031);(309.0,0.0510510511);(310.0,0.031031031);(311.0,0.0600600601);(312.0,0.03003003);(313.0,0.045045045);(314.0,0.024024024);(315.0,0.017017017);(316.0,0.006006006);(317.0,0.007007007);(318.0,0.01001001);(319.0,0.009009009);(320.0,0.007007007);(321.0,0.032032032);(322.0,0.034034034);(323.0,0.0510510511);(324.0,0.037037037);(325.0,0.0820820821);(326.0,0.041041041);(327.0,0.041041041);(328.0,0.021021021);(329.0,0.015015015);(330.0,0.002002002);(331.0,0.019019019);(332.0,0.015015015);(333.0,0.007007007);(334.0,0.009009009);(335.0,0.015015015);(336.0,0.022022022);(337.0,0.048048048);(338.0,0.027027027);(339.0,0.0620620621);(340.0,0.049049049);(341.0,0.1101101101);(342.0,0.0600600601);(343.0,0.1041041041);(344.0,0.037037037);(345.0,0.023023023);(346.0,0.013013013);(347.0,0.019019019);(348.0,0.012012012);(349.0,0.019019019);(350.0,0.018018018);(351.0,0.024024024);(352.0,0.021021021);(353.0,0.0580580581);(354.0,0.039039039);(355.0,0.0730730731);(356.0,0.028028028);(357.0,0.0550550551);(358.0,0.021021021);(359.0,0.018018018);(360.0,0.004004004);(361.0,0.009009009);(362.0,0.009009009);(363.0,0.015015015);(364.0,0.013013013);(365.0,0.024024024);(366.0,0.032032032);(367.0,0.049049049);(368.0,0.042042042);(369.0,0.0740740741);(370.0,0.0530530531);(371.0,0.0550550551);(372.0,0.026026026);(373.0,0.018018018);(374.0,0.001001001);(375.0,0.011011011);(376.0,0.005005005);(377.0,0.017017017);(378.0,0.019019019);(379.0,0.024024024);(380.0,0.022022022);(381.0,0.045045045);(382.0,0.035035035);(383.0,0.0940940941);(384.0,0.0650650651);(385.0,0.0950950951);(386.0,0.0690690691);(387.0,0.04004004);(388.0,0.025025025);(389.0,0.007007007);(390.0,0.004004004);(391.0,0.004004004);(392.0,0.013013013);(393.0,0.041041041);(394.0,0.04004004);(395.0,0.038038038);(396.0,0.044044044);(397.0,0.0930930931);(398.0,0.0590590591);(399.0,0.0700700701);(400.0,0.034034034);(401.0,0.027027027);(402.0,0.012012012);(403.0,0.008008008);(404.0,0.007007007);(405.0,0.003003003);(406.0,0.003003003);(407.0,0.003003003);(408.0,0.004004004);(409.0,0.022022022);(410.0,0.025025025);(411.0,0.045045045);(412.0,0.0710710711);(413.0,0.1011011011);(414.0,0.0990990991);(415.0,0.2762762763);(416.0,0.1441441441);(417.0,0.1171171171);(418.0,0.049049049);(419.0,0.027027027);(420.0,0.002002002);(421.0,0.006006006);(422.0,0.002002002);(423.0,0.004004004);(424.0,0.01001001);(425.0,0.02002002);(426.0,0.023023023);(427.0,0.0590590591);(428.0,0.0600600601);(429.0,0.0900900901);(430.0,0.0640640641);(431.0,0.04004004);(432.0,0.016016016);(433.0,0.004004004);(434.0,0.008008008);(436.0,0.008008008);(437.0,0.012012012);(438.0,0.005005005);(439.0,0.021021021);(440.0,0.018018018);(441.0,0.046046046);(442.0,0.0760760761);(443.0,0.2152152152);(444.0,0.1641641642);(445.0,0.0720720721);(446.0,0.035035035);(447.0,0.015015015);(448.0,0.009009009);(450.0,0.009009009);(451.0,0.001001001);(452.0,0.003003003);(453.0,0.016016016);(454.0,0.018018018);(455.0,0.0540540541);(456.0,0.0760760761);(457.0,0.1621621622);(458.0,0.2602602603);(459.0,0.2092092092);(460.0,0.1181181181);(461.0,0.04004004);(462.0,0.016016016);(463.0,0.007007007);(464.0,0.006006006);(465.0,0.004004004);(466.0,0.01001001);(467.0,0.015015015);(468.0,0.021021021);(469.0,0.0640640641);(470.0,0.0850850851);(471.0,0.1501501502);(472.0,0.1021021021);(473.0,0.1041041041);(474.0,0.0600600601);(475.0,0.035035035);(476.0,0.011011011);(477.0,0.004004004);(478.0,0.007007007);(479.0,0.001001001);(480.0,0.001001001);(481.0,0.004004004);(482.0,0.005005005);(483.0,0.045045045);(484.0,0.1071071071);(485.0,0.2152152152);(486.0,0.3833833834);(487.0,0.5985985986);(488.0,0.3813813814);(489.0,0.2702702703);(490.0,0.1711711712);(491.0,0.0810810811);(492.0,0.031031031);(493.0,0.01001001);(494.0,0.003003003);(495.0,0.003003003);(496.0,0.007007007);(498.0,0.008008008);(499.0,0.014014014);(500.0,0.02002002)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(76.0,0.009);(115.0,0.009);(131.0,0.038);(133.0,0.031);(135.0,0.014);(165.0,0.017);(177.0,0.007);(178.0,0.005);(191.0,0.022);(193.0,0.038);(194.0,0.006);(221.0,0.01);(235.0,0.012);(251.0,0.009);(265.0,0.007);(266.0,0.007);(267.0,0.009);(272.0,0.103);(273.0,0.032);(279.0,0.008);(281.0,0.007);(287.0,0.005);(295.0,0.007);(325.0,0.005);(339.0,0.006);(341.0,0.008);(343.0,0.009);(353.0,0.018);(355.0,0.007);(357.0,0.004);(385.0,0.013);(386.0,0.005);(393.0,0.014);(394.0,0.009);(397.0,0.007);(399.0,0.005);(411.0,0.014);(412.0,0.013);(413.0,0.019);(414.0,0.012);(415.0,0.057);(416.0,0.022);(417.0,0.008);(429.0,0.013);(430.0,0.008);(441.0,0.008);(443.0,0.021);(444.0,0.01);(445.0,0.005);(455.0,0.014);(456.0,0.013);(457.0,0.022);(458.0,0.03);(459.0,0.016);(460.0,0.008);(469.0,0.012);(470.0,0.008);(471.0,0.02);(472.0,0.009);(473.0,0.013);(474.0,0.004);(483.0,0.011);(484.0,0.016);(485.0,0.031);(486.0,0.039);(487.0,0.105);(488.0,0.043);(489.0,0.014);(501.0,0.016);(529.0,0.021);(530.0,0.014);(531.0,0.012);(543.0,0.01);(557.0,0.049);(558.0,0.112);(559.0,1.0);(560.0,0.505);(561.0,0.278);(562.0,0.091);(563.0,0.025);(564.0,0.007);(573.0,0.012);(574.0,0.008)
GC-MS	EI-B	positive	Not Available	View Spectrum	(32.0,5.0);(39.0,5.9);(41.0,2.0);(43.0,0.11);(44.0,1.6);(50.0,2.4);(51.0,5.9);(52.0,0.13);(53.0,2.3);(55.0,1.8);(62.0,1.1);(63.0,0.3);(64.0,1.0);(65.0,8.3);(66.0,1.1);(67.0,0.15);(69.0,17.3);(77.0,4.0);(78.0,3.5);(79.0,0.17);(91.0,0.9);(92.0,1.4);(93.0,6.1);(94.0,0.15);(96.0,0.9);(105.0,4.0);(106.0,1.6);(108.0,0.33);(115.0,1.0);(119.0,1.3);(120.0,1.6);(121.0,1.98);(122.0,1.4);(123.0,1.9);(124.0,1.9);(129.0,0.4);(131.0,1.8);(134.0,3.9);(136.0,4.2);(137.0,0.28);(143.0,6.8);(149.0,6.6);(150.0,0.8);(153.0,0.62);(155.0,1.0);(184.0,1.7);(212.0,0.8);(213.0,0.47);(229.0,8.2);(230.0,0.9);(257.0,8.3);(258.0,0.95);(259.0,0.8);(285.0,21.8);(286.0,99.99);(287.0,1.68);(288.0,2.2)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,8.108108);(86.0,3.603604);(87.0,5.605606);(88.0,4.704705);(89.0,10.41041);(90.0,4.304304);(91.0,18.918919);(92.0,2.902903);(93.0,6.806807);(94.0,1.601602);(95.0,4.704705);(96.0,2.002002);(97.0,4.104104);(98.0,2.302302);(99.0,15.315315);(100.0,2.302302);(101.0,4.604605);(102.0,3.203203);(103.0,14.914915);(104.0,6.706707);(105.0,16.716717);(106.0,3.103103);(107.0,7.107107);(108.0,1.301301);(109.0,4.804805);(110.0,2.202202);(111.0,3.203203);(112.0,1.801802);(113.0,2.802803);(114.0,2.402402);(115.0,17.117117);(116.0,4.004004);(117.0,7.707708);(118.0,3.303303);(119.0,15.615616);(120.0,4.604605);(121.0,15.515516);(122.0,2.002002);(123.0,3.603604);(124.0,0.900901);(125.0,1.501502);(126.0,2.202202);(127.0,4.904905);(128.0,4.404404);(129.0,6.106106);(130.0,0.700701);(131.0,12.612613);(132.0,3.303303);(133.0,58.958959);(134.0,10.910911);(135.0,25.425425);(136.0,3.503504);(137.0,5.005005);(138.0,3.803804);(139.0,6.006006);(140.0,2.202202);(141.0,5.705706);(142.0,2.302302);(143.0,7.007007);(144.0,1.401401);(145.0,5.805806);(146.0,3.203203);(147.0,41.741742);(148.0,9.009009);(149.0,16.116116);(150.0,7.407407);(151.0,8.608609);(152.0,6.106106);(153.0,6.006006);(154.0,2.202202);(155.0,4.804805);(156.0,2.002002);(157.0,4.104104);(158.0,1.501502);(159.0,3.103103);(160.0,1.301301);(161.0,6.006006);(162.0,3.603604);(163.0,13.613614);(164.0,6.306306);(165.0,18.518519);(166.0,5.405405);(167.0,6.106106);(168.0,3.603604);(169.0,4.704705);(170.0,2.002002);(171.0,3.803804);(172.0,1.101101);(173.0,2.402402);(174.0,1.601602);(175.0,5.105105);(176.0,6.806807);(177.0,15.915916);(178.0,10.910911);(179.0,14.014014);(180.0,4.304304);(181.0,5.805806);(182.0,2.302302);(183.0,4.304304);(184.0,4.104104);(185.0,2.902903);(186.0,1.801802);(187.0,3.603604);(188.0,2.402402);(189.0,11.911912);(190.0,5.305305);(191.0,22.822823);(192.0,7.807808);(193.0,56.856857);(194.0,11.711712);(195.0,10.510511);(196.0,2.402402);(197.0,3.703704);(198.0,2.502503);(199.0,3.503504);(200.0,1.801802);(201.0,2.602603);(202.0,5.205205);(203.0,6.006006);(204.0,2.402402);(205.0,7.207207);(206.0,4.804805);(207.0,17.617618);(208.0,3.703704);(209.0,8.508509);(210.0,3.503504);(211.0,4.004004);(212.0,1.901902);(213.0,2.402402);(214.0,4.504505);(215.0,4.104104);(216.0,1.801802);(217.0,3.803804);(218.0,2.702703);(219.0,5.505506);(220.0,4.504505);(221.0,8.208208);(222.0,2.902903);(223.0,8.308308);(224.0,3.503504);(225.0,3.703704);(226.0,0.900901);(227.0,4.904905);(228.0,7.407407);(229.0,3.403403);(230.0,0.800801);(231.0,1.601602);(232.0,1.401401);(233.0,4.204204);(234.0,2.502503);(235.0,8.708709);(236.0,10.610611);(237.0,9.50951);(238.0,2.602603);(239.0,5.805806);(240.0,3.303303);(241.0,3.103103);(242.0,1.601602);(243.0,2.502503);(244.0,1.101101);(245.0,1.601602);(246.0,0.900901);(247.0,3.203203);(248.0,2.302302);(249.0,5.005005);(250.0,2.502503);(251.0,5.805806);(252.0,3.803804);(253.0,6.606607);(254.0,2.202202);(255.0,3.103103);(256.0,1.901902);(257.0,4.404404);(258.0,2.602603);(259.0,1.601602);(260.0,1.101101);(261.0,1.901902);(262.0,1.301301);(263.0,3.303303);(264.0,5.705706);(265.0,9.409409);(266.0,5.305305);(267.0,7.907908);(268.0,4.004004);(269.0,5.705706);(270.0,3.203203);(271.0,6.306306);(272.0,100.0);(273.0,38.838839);(274.0,6.106106);(275.0,2.802803);(276.0,0.800801);(277.0,3.603604);(278.0,2.202202);(279.0,9.109109);(280.0,8.308308);(281.0,5.605606);(282.0,2.502503);(283.0,3.803804);(284.0,1.301301);(285.0,3.403403);(286.0,2.402402);(287.0,4.904905);(288.0,2.002002);(289.0,2.602603);(290.0,0.600601);(291.0,2.302302);(292.0,1.101101);(293.0,4.604605);(294.0,2.802803);(295.0,8.808809);(296.0,4.104104);(297.0,4.804805);(298.0,1.501502);(299.0,1.901902);(300.0,0.3003);(301.0,1.901902);(302.0,0.900901);(303.0,1.201201);(304.0,1.001001);(305.0,2.202202);(306.0,2.102102);(307.0,4.204204);(308.0,3.103103);(309.0,5.105105);(310.0,3.103103);(311.0,6.006006);(312.0,3.003003);(313.0,4.504505);(314.0,2.402402);(315.0,1.701702);(316.0,0.600601);(317.0,0.700701);(318.0,1.001001);(319.0,0.900901);(320.0,0.700701);(321.0,3.203203);(322.0,3.403403);(323.0,5.105105);(324.0,3.703704);(325.0,8.208208);(326.0,4.104104);(327.0,4.104104);(328.0,2.102102);(329.0,1.501502);(330.0,0.2002);(331.0,1.901902);(332.0,1.501502);(333.0,0.700701);(334.0,0.900901);(335.0,1.501502);(336.0,2.202202);(337.0,4.804805);(338.0,2.702703);(339.0,6.206206);(340.0,4.904905);(341.0,11.011011);(342.0,6.006006);(343.0,10.41041);(344.0,3.703704);(345.0,2.302302);(346.0,1.301301);(347.0,1.901902);(348.0,1.201201);(349.0,1.901902);(350.0,1.801802);(351.0,2.402402);(352.0,2.102102);(353.0,5.805806);(354.0,3.903904);(355.0,7.307307);(356.0,2.802803);(357.0,5.505506);(358.0,2.102102);(359.0,1.801802);(360.0,0.4004);(361.0,0.900901);(362.0,0.900901);(363.0,1.501502);(364.0,1.301301);(365.0,2.402402);(366.0,3.203203);(367.0,4.904905);(368.0,4.204204);(369.0,7.407407);(370.0,5.305305);(371.0,5.505506);(372.0,2.602603);(373.0,1.801802);(374.0,0.1001);(375.0,1.101101);(376.0,0.500501);(377.0,1.701702);(378.0,1.901902);(379.0,2.402402);(380.0,2.202202);(381.0,4.504505);(382.0,3.503504);(383.0,9.409409);(384.0,6.506507);(385.0,9.50951);(386.0,6.906907);(387.0,4.004004);(388.0,2.502503);(389.0,0.700701);(390.0,0.4004);(391.0,0.4004);(392.0,1.301301);(393.0,4.104104);(394.0,4.004004);(395.0,3.803804);(396.0,4.404404);(397.0,9.309309);(398.0,5.905906);(399.0,7.007007);(400.0,3.403403);(401.0,2.702703);(402.0,1.201201);(403.0,0.800801);(404.0,0.700701);(405.0,0.3003);(406.0,0.3003);(407.0,0.3003);(408.0,0.4004);(409.0,2.202202);(410.0,2.502503);(411.0,4.504505);(412.0,7.107107);(413.0,10.11011);(414.0,9.90991);(415.0,27.627628);(416.0,14.414414);(417.0,11.711712);(418.0,4.904905);(419.0,2.702703);(420.0,0.2002);(421.0,0.600601);(422.0,0.2002);(423.0,0.4004);(424.0,1.001001);(425.0,2.002002);(426.0,2.302302);(427.0,5.905906);(428.0,6.006006);(429.0,9.009009);(430.0,6.406406);(431.0,4.004004);(432.0,1.601602);(433.0,0.4004);(434.0,0.800801);(436.0,0.800801);(437.0,1.201201);(438.0,0.500501);(439.0,2.102102);(440.0,1.801802);(441.0,4.604605);(442.0,7.607608);(443.0,21.521522);(444.0,16.416416);(445.0,7.207207);(446.0,3.503504);(447.0,1.501502);(448.0,0.900901);(450.0,0.900901);(451.0,0.1001);(452.0,0.3003);(453.0,1.601602);(454.0,1.801802);(455.0,5.405405);(456.0,7.607608);(457.0,16.216216);(458.0,26.026026);(459.0,20.920921);(460.0,11.811812);(461.0,4.004004);(462.0,1.601602);(463.0,0.700701);(464.0,0.600601);(465.0,0.4004);(466.0,1.001001);(467.0,1.501502);(468.0,2.102102);(469.0,6.406406);(470.0,8.508509);(471.0,15.015015);(472.0,10.21021);(473.0,10.41041);(474.0,6.006006);(475.0,3.503504);(476.0,1.101101);(477.0,0.4004);(478.0,0.700701);(479.0,0.1001);(480.0,0.1001);(481.0,0.4004);(482.0,0.500501);(483.0,4.504505);(484.0,10.710711);(485.0,21.521522);(486.0,38.338338);(487.0,59.85986);(488.0,38.138138);(489.0,27.027027);(490.0,17.117117);(491.0,8.108108);(492.0,3.103103);(493.0,1.001001);(494.0,0.3003);(495.0,0.3003);(496.0,0.700701);(498.0,0.800801);(499.0,1.401401);(500.0,2.002002)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(76.0,0.009);(115.0,0.009);(131.0,0.038);(133.0,0.031);(135.0,0.014);(165.0,0.017);(177.0,0.007);(178.0,0.005);(191.0,0.022);(193.0,0.038);(194.0,0.006);(221.0,0.01);(235.0,0.012);(251.0,0.009);(265.0,0.007);(266.0,0.007);(267.0,0.009);(272.0,0.103);(273.0,0.032);(279.0,0.008);(281.0,0.007);(287.0,0.005);(295.0,0.007);(325.0,0.005);(339.0,0.006);(341.0,0.008);(343.0,0.009);(353.0,0.018);(355.0,0.007);(357.0,0.004);(385.0,0.013);(386.0,0.005);(393.0,0.014);(394.0,0.009);(397.0,0.007);(399.0,0.005);(411.0,0.014);(412.0,0.013);(413.0,0.019);(414.0,0.012);(415.0,0.057);(416.0,0.022);(417.0,0.008);(429.0,0.013);(430.0,0.008);(441.0,0.008);(443.0,0.021);(444.0,0.01);(445.0,0.005);(455.0,0.014);(456.0,0.013);(457.0,0.022);(458.0,0.03);(459.0,0.016);(460.0,0.008);(469.0,0.012);(470.0,0.008);(471.0,0.02);(472.0,0.009);(473.0,0.013);(474.0,0.004);(483.0,0.011);(484.0,0.016);(485.0,0.031);(486.0,0.039);(487.0,0.105);(488.0,0.043);(489.0,0.014);(501.0,0.016);(529.0,0.021);(530.0,0.014);(531.0,0.012);(543.0,0.01);(557.0,0.049);(558.0,0.112);(559.0,1.0);(560.0,0.505);(561.0,0.278);(562.0,0.091);(563.0,0.025);(564.0,0.007);(573.0,0.012);(574.0,0.008)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(105.0334885,1.579891403);(110.0362272,3.203902674);(133.0284026,1.558984394);(134.0362272,2.006433252);(135.0440518,1.348108002);(136.0154921,8.792671495);(137.0233167,6.001376454);(138.0311413,4.202896164);(139.0389659,1.70922684);(152.0104062,2.305091072);(164.0104062,1.657718895);(165.0182308,1.958011649);(166.0260554,2.944015166);(214.0260554,1.393918674);(215.03388,1.42415724);(216.0417046,1.914532813);(228.0417046,2.1167319);(229.0495292,1.746791018);(230.0573538,2.548428113);(242.0209695,2.795514558);(244.0366187,1.886266349);(254.0209695,1.617901465);(255.0287941,2.427941503);(256.0366187,6.060597887);(257.0444433,7.813701815);(258.0522679,9.27368376);(259.0556608,1.484620099);(268.0366187,4.175652402);(269.0444433,3.801995581);(285.0393574,1.985790431);(286.047182,6.263446931)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,8.937062999);(115.0573631,2.208916431);(193.0679264,2.62101429);(263.091801,2.257732862);(265.0710659,1.988754722);(278.1152748,0.9769552253);(279.1230994,2.472187971);(280.0945397,1.793102822);(281.06598,1.180627519);(281.1023643,3.387039088);(282.1042326,0.850365842);(297.0972784,2.029643276);(367.121153,1.493601817);(460.1551901,0.8324612224);(484.1551901,0.7648050873);(485.1630147,0.8776241499);(487.1422796,1.48064982);(500.1501042,0.8918017728);(501.1579288,3.60071168);(502.1599776,1.540229681);(502.1657534,3.930447511);(503.1678037,1.681866151);(503.173578,1.776901609);(504.1662668,0.7832690204);(531.1868893,2.352691573);(532.1887178,1.153078719);(546.2103631,1.194306737);(558.1739788,0.9774076417);(559.1818034,5.831744178);(560.1836677,2.925665146);(561.1821431,1.549935173)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(105.0334885,1.009501423);(110.0362272,1.19858532);(121.0284026,1.029933316);(122.0362272,0.8732732797);(133.0284026,1.037363471);(134.0362272,1.335100318);(135.0440518,0.8970442556);(136.0154921,5.228011605);(137.0233167,1.852676701);(138.0311413,2.284945938);(139.0389659,1.137336264);(152.0104062,1.533830155);(153.0182308,0.8746244867);(165.0182308,1.498950742);(166.0260554,1.677631711);(228.0417046,1.345170306);(229.0495292,1.056772944);(230.0573538,1.546477574);(240.0053203,0.9003116212);(242.0209695,1.810403304);(244.0366187,1.214255982);(254.0209695,1.076567466);(255.0287941,1.615576033);(256.0366187,4.703739055);(257.0444433,6.263056223);(258.0478335,1.001710415);(258.0522679,7.764662033);(259.0556608,1.243041451);(268.0366187,1.899838637);(269.0444433,1.760048729);(286.047182,4.337310517)
LC-MS/MS	Quattro_QQQ	Positive	low	View Spectrum	(286.0,100.0);(287.0,30.562)
LC-MS/MS	Quattro_QQQ	Positive	med	View Spectrum	(68.0,6.846);(92.0,2.727);(106.0,4.073);(108.0,2.901);(110.0,6.293);(120.0,19.793);(121.0,7.859);(132.0,4.547);(136.0,5.734);(137.0,3.859);(146.0,5.742);(152.0,28.713);(153.0,14.995);(156.0,3.456);(164.0,19.158);(165.0,6.109);(184.0,3.505);(212.0,8.614);(213.0,3.224);(230.0,3.565);(240.0,4.839);(257.0,9.139);(258.0,4.802);(286.0,100.0);(287.0,46.355)
LC-MS/MS	Quattro_QQQ	Positive	high	View Spectrum	(43.0,7.975);(64.0,11.154);(65.0,8.533);(66.0,13.777);(67.0,11.217);(68.0,66.994);(69.0,35.475);(76.0,24.293);(77.0,13.401);(78.0,18.489);(79.0,7.865);(80.0,11.428);(90.0,7.371);(92.0,37.799);(93.0,23.671);(104.0,13.427);(105.0,7.833);(106.0,18.48);(107.0,18.366);(108.0,15.298);(114.0,15.683);(118.0,8.961);(120.0,60.645);(121.0,33.559);(126.0,14.148);(127.0,16.309);(128.0,19.091);(135.0,7.826);(136.0,18.001);(137.0,9.842);(138.0,8.351);(146.0,11.952);(152.0,100.0);(153.0,46.111);(156.0,21.393);(157.0,10.1);(164.0,11.101);(170.0,7.372);(212.0,13.87);(228.0,8.293);(286.0,8.355)
LC-MS/MS	EI-B (JEOL JMS-06-H)	Positive	Not Available	View Spectrum	(32.0,0.0500500501);(39.0,0.0590590591);(41.0,0.02002002);(43.0,0.001001001);(44.0,0.016016016);(50.0,0.024024024);(51.0,0.0590590591);(52.0,0.001001001);(53.0,0.023023023);(55.0,0.018018018);(62.0,0.011011011);(63.0,0.003003003);(64.0,0.01001001);(65.0,0.0830830831);(66.0,0.011011011);(67.0,0.002002002);(69.0,0.1731731732);(77.0,0.04004004);(78.0,0.035035035);(79.0,0.002002002);(91.0,0.009009009);(92.0,0.014014014);(93.0,0.0610610611);(94.0,0.002002002);(96.0,0.009009009);(105.0,0.04004004);(106.0,0.016016016);(108.0,0.003003003);(115.0,0.01001001);(119.0,0.013013013);(120.0,0.016016016);(121.0,0.02002002);(122.0,0.014014014);(123.0,0.019019019);(124.0,0.019019019);(129.0,0.004004004);(131.0,0.018018018);(134.0,0.039039039);(136.0,0.042042042);(137.0,0.003003003);(143.0,0.0680680681);(149.0,0.0660660661);(150.0,0.008008008);(153.0,0.006006006);(155.0,0.01001001);(184.0,0.017017017);(212.0,0.008008008);(213.0,0.005005005);(229.0,0.0820820821);(230.0,0.009009009);(257.0,0.0830830831);(258.0,0.01001001);(259.0,0.008008008);(285.0,0.2182182182);(286.0,1.0);(287.0,0.017017017);(288.0,0.022022022)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(285.0619,0.026026026);(287.062,1.0);(288.0736,0.1501501502);(289.0319,0.032032032);(289.9965,0.011011011);(626.0358,0.0750750751);(627.0331,0.028028028)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(93.0338,0.032032032);(107.0136,0.015015015);(108.0212,0.012012012);(117.0346,0.024024024);(143.0505,0.019019019);(145.0301,0.014014014);(151.0043,0.018018018);(154.0431,0.011011011);(155.05,0.011011011);(159.0456,0.021021021);(161.0246,0.011011011);(163.0045,0.01001001);(169.066,0.011011011);(171.0456,0.015015015);(183.046,0.012012012);(185.0615,0.023023023);(187.0406,0.021021021);(211.0405,0.02002002);(213.0562,0.011011011);(214.0277,0.01001001);(227.0353,0.016016016);(229.0511,0.019019019);(239.0355,0.021021021);(255.0304,0.01001001);(257.0461,0.011011011);(285.0399,1.0);(285.2643,0.015015015);(285.2979,0.031031031);(286.0442,0.0620620621)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(50.5644,0.025025025);(51.4676,0.023023023);(52.4136,0.03003003);(53.2875,0.029029029);(54.2127,0.022022022);(55.2823,0.028028028);(58.9573,0.028028028);(59.8702,0.022022022);(60.8869,0.025025025);(63.0446,0.0960960961);(64.0747,0.028028028);(65.0786,0.1261261261);(66.0003,0.03003003);(67.0539,0.0530530531);(69.0104,0.039039039);(69.9423,0.021021021);(70.8238,0.02002002);(72.0766,0.02002002);(74.6172,0.027027027);(75.474,0.022022022);(77.0471,0.04004004);(78.0449,0.02002002);(79.05,0.0740740741);(80.0285,0.0650650651);(81.0017,0.046046046);(82.0036,0.028028028);(83.05,0.1961961962);(83.8994,0.039039039);(84.9541,0.023023023);(86.0858,0.024024024);(89.0492,0.0570570571);(91.0593,0.1571571572);(92.0873,0.1761761762);(93.0676,1.0);(93.9854,0.1501501502);(95.0551,0.1791791792);(96.002,0.0530530531);(97.0403,0.03003003);(103.1898,0.025025025);(104.1064,0.021021021);(105.0908,0.1581581582);(106.0276,0.0600600601);(107.0513,0.3943943944);(108.0639,0.4894894895);(109.0376,0.3163163163);(109.9277,0.0530530531);(111.2568,0.034034034);(112.7401,0.02002002);(114.1555,0.02002002);(115.1314,0.0610610611);(116.1727,0.036036036);(117.0751,0.6576576577);(117.9098,0.0990990991);(119.0742,0.2182182182);(120.0183,0.1541541542);(120.9995,0.1431431431);(121.9386,0.045045045);(123.046,0.1521521522);(123.9722,0.0650650651);(125.2215,0.032032032);(126.8559,0.036036036);(127.9269,0.046046046);(129.0273,0.1091091091);(130.0572,0.1631631632);(131.0816,0.3073073073);(132.0248,0.1201201201);(133.0744,0.2452452452);(133.9427,0.0580580581);(135.0515,0.3093093093);(136.039,0.2052052052);(137.0343,0.2272272272);(137.8563,0.0550550551);(139.0526,0.0540540541);(140.0088,0.033033033);(141.0439,0.1191191191);(142.0636,0.1121121121);(143.0891,0.7117117117);(143.9902,0.1481481481);(145.0621,0.5765765766);(145.9295,0.1431431431);(147.0319,0.1121121121);(147.9552,0.0580580581);(148.9784,0.045045045);(150.0483,0.033033033);(151.0221,0.2292292292);(151.941,0.0660660661);(152.9693,0.046046046);(154.0671,0.2802802803);(155.058,0.3613613614);(156.076,0.3503503504);(157.0755,0.5595595596);(158.0283,0.3323323323);(159.0665,0.7337337337);(159.956,0.1711711712);(161.0433,0.4824824825);(161.8954,0.0990990991);(163.0115,0.2122122122);(164.0143,0.2172172172);(165.0109,0.1011011011);(165.9855,0.046046046);(167.0799,0.2992992993);(168.0288,0.1601601602);(169.0761,0.2222222222);(170.0492,0.1221221221);(171.0715,0.4104104104);(171.9852,0.1021021021);(173.061,0.2632632633);(174.0066,0.1171171171);(175.011,0.0870870871);(175.9731,0.034034034);(176.9536,0.038038038);(177.8132,0.02002002);(179.0608,0.04004004);(180.0178,0.038038038);(181.051,0.028028028);(182.0578,0.1401401401);(183.0829,0.3983983984);(184.0469,0.3263263263);(185.0543,0.5435435435);(185.9664,0.1711711712);(187.059,0.6136136136);(187.9721,0.1491491491);(188.9734,0.0780780781);(189.9567,0.046046046);(190.9975,0.0940940941);(191.9998,0.0660660661);(192.9169,0.033033033);(193.7756,0.023023023);(195.0768,0.1711711712);(196.0077,0.0740740741);(196.9886,0.0840840841);(198.0272,0.0940940941);(199.0491,0.1001001001);(200.0546,0.0660660661);(201.0566,0.1571571572);(201.9591,0.0530530531);(209.0081,0.031031031);(210.0628,0.1331331331);(211.0589,0.5765765766);(211.9972,0.1741741742);(213.0171,0.1841841842);(214.0131,0.2602602603);(215.0003,0.1781781782);(215.9017,0.0630630631);(216.8992,0.035035035);(218.1631,0.025025025);(219.0885,0.0570570571);(220.8813,0.02002002);(223.0355,0.0610610611);(223.9845,0.03003003);(224.8375,0.027027027);(225.803,0.047047047);(227.049,0.5215215215);(228.0157,0.1271271271);(229.0383,0.2682682683);(229.9445,0.0610610611);(231.4677,0.025025025);(235.8513,0.021021021);(238.0285,0.0690690691);(239.0543,0.4704704705);(240.0088,0.2042042042);(240.9618,0.0870870871);(241.9942,0.034034034);(243.0377,0.1111111111);(243.9095,0.028028028);(252.5667,0.02002002);(255.0522,0.3623623624);(255.9836,0.1021021021);(257.0052,0.0740740741);(257.9217,0.025025025);(266.0464,0.029029029);(267.0702,0.1471471471);(268.0515,0.1471471471);(268.9888,0.038038038);(282.7227,0.031031031);(284.0126,0.0810810811);(285.0527,0.8098098098);(285.9692,0.1661661662);(287.0686,0.04004004);(288.7403,0.02002002)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(68.9872,0.1261261261);(69.0266,0.036036036);(77.0303,0.046046046);(79.0464,0.048048048);(93.0279,0.0970970971);(105.0296,0.0730730731);(107.0454,0.1201201201);(109.0248,0.0840840841);(111.0043,0.0740740741);(115.0513,0.04004004);(121.026,0.4924924925);(121.0823,0.0530530531);(127.0525,0.035035035);(128.0606,0.047047047);(129.0677,0.0540540541);(133.0267,0.0500500501);(137.022,0.1841841842);(145.0639,0.047047047);(147.0436,0.1171171171);(153.0179,1.0);(153.0811,0.0970970971);(157.0646,0.1841841842);(161.0599,0.04004004);(165.0185,0.2552552553);(171.0443,0.0780780781);(185.0602,0.0990990991);(213.0555,0.2672672673);(229.05,0.0810810811);(231.0657,0.0550550551);(241.0503,0.0750750751);(258.053,0.1421421421);(259.0598,0.042042042);(287.0556,0.3243243243)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(68.9875,0.026026026);(77.0304,0.012012012);(93.0281,0.017017017);(105.0297,0.01001001);(107.0456,0.015015015);(111.0045,0.011011011);(115.0519,0.012012012);(121.0263,0.0640640641);(128.0604,0.015015015);(137.0226,0.021021021);(147.0437,0.014014014);(153.0182,0.1141141141);(157.0649,0.02002002);(165.0187,0.044044044);(185.0607,0.01001001);(213.0558,0.035035035);(231.0665,0.01001001);(241.0511,0.015015015);(258.0534,0.023023023);(287.0556,1.0);(287.1405,0.0560560561);(288.0591,0.0650650651)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Positive	Not Available	View Spectrum	(69.0622,0.1981981982);(91.0421,0.1911911912);(99.4978,0.4044044044);(100.4944,0.1591591592);(105.0564,0.4874874875);(111.1031,0.3603603604);(119.0337,0.2982982983);(147.0268,0.4234234234);(167.0118,1.0);(287.0555,0.8148148148)
LC-MS/MS	LC-ESI-QTOF (UPLC Q-Tof Premier, Waters)	Negative	Not Available	View Spectrum	(64.9965,0.0570570571);(93.023,0.0840840841);(97.0178,0.0740740741);(119.0343,1.0);(164.9985,0.4864864865);(285.0399,0.4224224224)
LC-MS/MS	LC-ESI-ITTOF (LCMS-IT-TOF)	Negative	Not Available	View Spectrum	(283.0247,0.035035035);(284.9356,0.015015015);(285.0329,1.0);(285.1952,0.017017017);(285.3412,0.021021021);(285.5523,0.012012012);(286.0397,0.1621621622);(286.3648,0.006006006);(287.0482,0.017017017);(288.0422,0.006006006);(301.0205,0.009009009);(348.0241,0.007007007);(399.0314,0.039039039);(400.0302,0.019019019);(484.7846,0.006006006);(571.0873,0.4664664665);(571.294,0.007007007);(571.5696,0.007007007);(571.8224,0.007007007);(572.0982,0.1561561562);(573.0869,0.042042042);(574.0995,0.006006006);(587.089,0.013013013);(588.0906,0.007007007);(593.0647,0.006006006);(607.0469,0.01001001);(762.6892,0.01001001);(766.0634,0.007007007);(837.807,0.009009009);(873.1073,0.006006006);(874.1298,0.007007007);(881.5039,0.009009009);(884.3594,0.007007007);(910.4981,0.011011011);(977.8699,0.013013013);(1033.3254,0.009009009);(1040.7833,0.006006006);(1053.7199,0.004004004);(1058.7168,0.006006006);(1072.6451,0.01001001);(1075.8892,0.009009009);(1078.1914,0.01001001);(1099.1174,0.009009009);(1105.5623,0.009009009);(1160.9404,0.01001001);(1161.628,0.013013013);(1185.6931,0.006006006);(1192.6521,0.007007007);(1201.4627,0.007007007);(1359.1081,0.009009009);(1393.1514,0.006006006)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.014,96.0);(108.0214,181.0);(109.0295,181.0);(115.0555,100.0);(117.0346,748.0);(118.0398,86.0);(121.0287,101.0);(123.0094,72.0);(130.0425,157.0);(131.0507,242.0);(133.0317,166.0);(135.0153,217.0);(136.0173,96.0);(137.0257,134.0);(143.0501,330.0);(145.0313,373.0);(151.005,150.0);(151.0086,150.0);(154.0428,128.0);(155.0502,148.0);(156.0566,211.0);(157.0537,314.0);(158.0405,142.0);(159.045,420.0);(161.0262,327.0);(163.0061,155.0);(164.0121,117.0);(167.0513,127.0);(169.0488,78.0);(171.0455,296.0);(173.0361,99.0);(183.0453,167.0);(184.052,170.0);(185.0607,375.0);(187.0404,371.0);(195.0456,78.0);(196.052,94.0);(199.0403,128.0);(201.0566,93.0);(210.0324,81.0);(211.0413,288.0);(213.0419,81.0);(214.029,97.0);(215.0371,85.0);(219.032,77.0);(227.035,601.0);(228.0418,126.0);(229.0503,378.0);(239.0349,551.0);(240.0399,166.0);(243.0311,124.0);(255.029,373.0);(256.0356,123.0);(257.043,73.0);(267.0306,196.0);(268.0377,107.0);(285.0415,999.0);(286.0433,180.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.014,96.0);(108.0214,181.0);(109.0295,181.0);(115.0555,100.0);(117.0346,748.0);(118.0398,86.0);(121.0287,101.0);(123.0094,72.0);(130.0425,157.0);(131.0507,242.0);(133.0317,166.0);(135.0153,217.0);(136.0173,96.0);(137.0257,134.0);(143.0501,330.0);(145.0313,373.0);(151.005,150.0);(151.0086,150.0);(154.0428,128.0);(155.0502,148.0);(156.0566,211.0);(157.0537,314.0);(158.0405,142.0);(159.045,420.0);(161.0262,327.0);(163.0061,155.0);(164.0121,117.0);(167.0513,127.0);(169.0488,78.0);(171.0455,296.0);(173.0361,99.0);(183.0453,167.0);(184.052,170.0);(185.0607,375.0);(187.0404,371.0);(195.0456,78.0);(196.052,94.0);(199.0403,128.0);(201.0566,93.0);(210.0324,81.0);(211.0413,288.0);(213.0419,81.0);(214.029,97.0);(215.0371,85.0);(219.032,77.0);(227.035,601.0);(228.0418,126.0);(229.0503,378.0);(239.0349,551.0);(240.0399,166.0);(243.0311,124.0);(255.029,373.0);(256.0356,123.0);(257.043,73.0);(267.0306,196.0);(268.0377,107.0);(285.0415,999.0);(286.0433,180.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(108.0221,139.0);(109.0297,182.0);(117.0346,999.0);(119.0489,120.0);(130.0419,151.0);(131.0508,164.0);(132.0263,127.0);(133.0297,120.0);(135.0218,129.0);(141.0337,118.0);(143.0504,235.0);(145.0315,183.0);(154.0433,103.0);(156.0589,112.0);(157.0455,113.0);(158.0371,292.0);(159.0459,207.0);(161.0277,179.0);(167.0518,103.0);(171.0449,132.0);(182.0368,133.0);(183.0459,238.0);(187.0383,163.0);(210.0314,116.0);(211.0382,171.0);(227.0357,487.0);(228.041,102.0);(239.0347,192.0);(255.0296,288.0);(267.0312,140.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(108.0221,139.0);(109.0297,182.0);(117.0346,999.0);(119.0489,120.0);(130.0419,151.0);(131.0508,164.0);(132.0263,127.0);(133.0297,120.0);(135.0218,129.0);(141.0337,118.0);(143.0504,235.0);(145.0315,183.0);(154.0433,103.0);(156.0589,112.0);(157.0455,113.0);(158.0371,292.0);(159.0459,207.0);(161.0277,179.0);(167.0518,103.0);(171.0449,132.0);(182.0368,133.0);(183.0459,238.0);(187.0383,163.0);(210.0314,116.0);(211.0382,171.0);(227.0357,487.0);(228.041,102.0);(239.0347,192.0);(255.0296,288.0);(267.0312,140.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(107.014,96.0);(108.0214,181.0);(109.0295,181.0);(115.0555,100.0);(117.0346,748.0);(118.0398,86.0);(121.0287,101.0);(123.0094,72.0);(130.0425,157.0);(131.0507,242.0);(133.0317,166.0);(135.0153,217.0);(136.0173,96.0);(137.0257,134.0);(143.0501,330.0);(145.0313,373.0);(151.005,150.0);(151.0086,150.0);(154.0428,128.0);(155.0502,148.0);(156.0566,211.0);(157.0537,314.0);(158.0405,142.0);(159.045,420.0);(161.0262,327.0);(163.0061,155.0);(164.0121,117.0);(167.0513,127.0);(169.0488,78.0);(171.0455,296.0);(173.0361,99.0);(183.0453,167.0);(184.052,170.0);(185.0607,375.0);(187.0404,371.0);(195.0456,78.0);(196.052,94.0);(199.0403,128.0);(201.0566,93.0);(210.0324,81.0);(211.0413,288.0);(213.0419,81.0);(214.029,97.0);(215.0371,85.0);(219.032,77.0);(227.035,601.0);(228.0418,126.0);(229.0503,378.0);(239.0349,551.0);(240.0399,166.0);(243.0311,124.0);(255.029,373.0);(256.0356,123.0);(257.043,73.0);(267.0306,196.0);(268.0377,107.0);(285.0415,999.0);(286.0433,180.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(285.0411,999.0);(286.0442,150.0);(301.0359,142.0);(571.0859,79.0);(572.0891,21.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(108.0221,139.0);(109.0297,182.0);(117.0346,999.0);(119.0489,120.0);(130.0419,151.0);(131.0508,164.0);(132.0263,127.0);(133.0297,120.0);(135.0218,129.0);(141.0337,118.0);(143.0504,235.0);(145.0315,183.0);(154.0433,103.0);(156.0589,112.0);(157.0455,113.0);(158.0371,292.0);(159.0459,207.0);(161.0277,179.0);(167.0518,103.0);(171.0449,132.0);(182.0368,133.0);(183.0459,238.0);(187.0383,163.0);(210.0314,116.0);(211.0382,171.0);(227.0357,487.0);(228.041,102.0);(239.0347,192.0);(255.0296,288.0);(267.0312,140.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(285.0409,999.0);(286.0439,106.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(117.03318,1563.0);(130.040146,744.0);(131.048203,1047.0);(132.020447,528.0);(133.028442,874.0);(135.026428,780.0);(137.022141,956.0);(143.047073,4012.0);(145.02565,3249.0);(150.999451,938.0);(154.03894,1268.0);(155.045364,1491.0);(156.052765,1354.0);(157.061249,1867.0);(158.034439,1430.0);(159.043411,4330.0);(161.021378,2278.0);(163.000854,1225.0);(164.008606,913.0);(167.046616,1290.0);(168.056946,560.0);(169.060257,963.0);(171.041367,2511.0);(173.042618,1065.0);(182.036087,684.0);(183.042358,2250.0);(184.050201,1589.0);(185.055542,3543.0);(187.034592,4541.0);(195.039871,728.0);(198.029297,575.0);(199.035049,569.0);(201.050415,1000.0);(210.028839,688.0);(211.037048,3996.0);(212.040695,730.0);(213.049194,1025.0);(214.023911,1180.0);(215.031433,861.0);(227.030762,4230.0);(228.032745,547.0);(229.043274,2177.0);(239.028244,3807.0);(240.038803,1180.0);(243.024704,809.0);(255.022903,2602.0);(256.03009,650.0);(267.025421,937.0);(268.032623,1176.0);(285.03363,8106.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(115.051819,427.0);(119.047684,246.0);(121.025917,4510.0);(128.059296,1020.0);(129.064957,712.0);(131.045029,333.0);(133.0242,577.0);(135.040268,475.0);(136.011063,258.0);(137.020065,2619.0);(139.051224,526.0);(141.067444,508.0);(143.046661,290.0);(145.059204,1522.0);(147.038895,2277.0);(153.013016,22238.0);(154.018494,1053.0);(155.054703,698.0);(157.060791,3864.0);(158.062515,301.0);(161.056152,787.0);(163.034515,253.0);(165.013275,3560.0);(166.018692,356.0);(168.054626,237.0);(169.061493,282.0);(171.038406,1834.0);(183.024445,1593.0);(184.046997,564.0);(185.053284,2090.0);(188.964767,413.0);(195.043503,344.0);(197.056381,395.0);(201.049103,278.0);(203.064117,490.0);(212.041718,234.0);(213.050797,5721.0);(214.054825,536.0);(216.03894,568.0);(217.043686,269.0);(229.045105,1543.0);(230.049179,281.0);(231.060806,1680.0);(241.045074,1891.0);(242.052185,439.0);(243.057114,248.0);(258.047729,3383.0);(259.052185,1380.0);(269.040375,668.0);(287.047028,13359.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(95.015373,188.0);(96.018097,160.0);(96.338219,148.0);(96.94281,200.0);(97.0271,144.0);(97.511955,56.0);(99.946404,188.0);(101.396225,76.0);(102.630539,192.0);(102.767693,68.0);(103.232285,132.0);(103.331406,104.0);(104.995071,136.0);(105.03212,492.0);(107.013535,180.0);(107.048637,416.0);(107.535088,144.0);(107.830437,144.0);(108.153099,224.0);(109.011726,192.0);(109.027893,356.0);(109.99688,128.0);(110.120079,172.0);(110.400131,168.0);(111.003311,176.0);(111.043091,116.0);(111.399925,184.0);(112.060532,180.0);(112.778046,40.0);(113.021049,216.0);(113.438477,76.0);(114.8675,156.0);(115.056557,288.0);(115.275299,40.0);(115.300941,152.0);(115.333,68.0);(117.075172,228.0);(117.469612,68.0);(117.555916,220.0);(118.041969,140.0);(119.045097,200.0);(120.852386,100.0);(120.953056,144.0);(121.028183,712.0);(121.051582,92.0);(121.38028,160.0);(122.031425,320.0);(122.080795,180.0);(122.58271,152.0);(122.681892,80.0);(123.047073,160.0);(124.889671,136.0);(125.023163,84.0);(125.727402,156.0);(127.048294,196.0);(128.062897,948.0);(128.26416,128.0);(129.024933,124.0);(129.068329,384.0);(129.217178,104.0);(130.069275,172.0);(130.325897,48.0);(130.355438,56.0);(131.048508,188.0);(131.069962,148.0);(131.464462,116.0);(131.585449,164.0);(131.731613,44.0);(132.175156,156.0);(133.030945,216.0);(134.032822,416.0);(134.875687,96.0);(135.045181,340.0);(136.235474,176.0);(137.023697,1636.0);(137.044388,220.0);(137.112701,120.0);(137.355179,28.0);(137.616562,224.0);(137.934296,152.0);(138.030151,140.0);(139.053787,152.0);(139.117294,64.0);(139.56839,120.0);(139.883652,108.0);(141.066269,280.0);(143.052246,156.0);(143.379761,208.0);(143.875916,104.0);(144.052628,144.0);(145.021362,128.0);(145.067459,160.0);(145.095352,204.0);(145.287918,124.0);(145.681625,236.0);(145.748901,184.0);(146.032578,184.0);(146.119171,76.0);(146.721283,192.0);(147.043701,696.0);(147.227997,176.0);(147.520355,132.0);(148.869934,140.0);(149.057938,236.0);(149.994003,20.0);(151.061127,172.0);(152.041214,136.0);(152.068222,236.0);(152.751312,128.0);(152.802979,184.0);(152.979919,160.0);(153.017578,3792.0);(153.050476,208.0);(153.125443,76.0);(153.184555,56.0);(153.310226,28.0);(153.364441,132.0);(153.431,60.0);(153.551834,84.0);(154.019501,316.0);(154.072662,136.0);(154.86673,132.0);(154.893982,80.0);(154.963348,72.0);(155.06395,140.0);(156.082779,48.0);(157.019135,156.0);(157.065033,1020.0);(157.091476,72.0);(158.06839,300.0);(159.063385,124.0);(159.108566,92.0);(159.689041,204.0);(160.049362,204.0);(160.084167,164.0);(161.024857,172.0);(161.060226,376.0);(163.038376,224.0);(163.117813,164.0);(163.181366,112.0);(165.020386,1628.0);(165.956772,124.0);(166.023514,316.0);(167.019989,120.0);(167.081726,84.0);(167.400894,36.0);(168.05304,200.0);(169.060822,144.0);(169.210953,84.0);(170.575531,60.0);(171.043488,508.0);(171.747299,116.0);(171.838608,160.0);(172.045441,224.0);(172.823639,76.0);(172.878586,52.0);(173.64621,152.0);(174.026718,84.0);(175.007462,200.0);(175.042435,172.0);(175.078568,104.0);(175.149673,168.0);(176.181122,116.0);(178.308914,40.0);(179.554901,164.0);(179.85907,192.0);(181.016724,124.0);(182.41188,192.0);(182.772278,136.0);(183.024292,208.0);(183.65593,228.0);(184.053574,344.0);(185.058929,908.0);(185.218277,68.0);(186.061249,164.0);(186.50444,164.0);(187.187317,124.0);(189.055283,444.0);(189.717407,148.0);(190.062988,132.0);(193.014618,152.0);(194.137405,228.0);(195.040558,328.0);(197.056839,324.0);(199.039307,312.0);(199.445053,160.0);(200.047028,120.0);(200.427246,168.0);(201.048889,164.0);(202.06488,116.0);(202.855026,136.0);(203.036484,76.0);(203.067688,392.0);(203.096054,124.0);(204.078644,112.0);(204.986679,148.0);(205.052216,224.0);(206.019547,228.0);(207.909348,144.0);(209.963486,120.0);(211.057953,172.0);(212.053711,104.0);(213.056,1448.0);(213.133377,44.0);(213.78183,28.0);(214.061371,232.0);(216.043137,124.0);(216.438248,132.0);(216.88356,52.0);(216.992035,152.0);(217.046448,148.0);(217.071198,184.0);(217.370407,100.0);(218.045853,124.0);(221.124969,88.0);(221.34996,156.0);(223.039719,180.0);(223.505005,172.0);(224.049866,108.0);(225.052002,236.0);(225.47319,56.0);(225.661514,120.0);(228.032715,184.0);(228.863007,180.0);(229.055664,284.0);(229.480682,160.0);(229.531937,32.0);(229.562103,92.0);(230.054214,160.0);(230.775986,192.0);(231.06488,564.0);(231.83847,48.0);(232.044601,156.0);(232.070694,172.0);(234.543488,148.0);(237.055771,168.0);(237.086426,168.0);(240.038223,168.0);(240.673264,132.0);(241.04808,476.0);(241.111908,128.0);(241.807785,132.0);(242.054947,220.0);(243.052689,252.0);(244.072708,216.0);(245.042862,312.0);(246.044678,164.0);(246.272644,180.0);(251.033707,152.0);(252.04068,76.0);(252.397858,168.0);(253.046494,148.0);(255.461639,144.0);(255.773499,156.0);(255.840347,52.0);(256.066437,164.0);(257.04834,232.0);(258.050262,484.0);(258.403107,76.0);(258.486298,64.0);(258.598328,184.0);(259.06308,384.0);(260.066284,172.0);(260.20755,76.0);(260.570465,52.0);(263.062347,148.0);(265.1073,244.0);(266.314209,164.0);(268.400269,88.0);(269.056519,272.0);(270.052734,108.0);(270.275208,152.0);(272.028625,284.0);(272.202637,108.0);(272.414459,20.0);(272.494965,252.0);(273.547333,172.0);(273.870056,152.0);(274.499512,132.0);(274.967987,52.0);(277.455475,200.0);(281.157684,160.0);(282.889069,100.0);(283.471863,44.0);(284.132385,168.0);(285.049042,92.0);(286.0513,132.0);(286.77887,184.0);(287.055634,9860.0);(287.143005,120.0);(287.180115,68.0);(287.237457,68.0);(287.426727,84.0);(287.456757,44.0);(287.57489,44.0);(287.643768,148.0);(287.77066,36.0);(287.814575,40.0);(287.868591,112.0);(287.91925,76.0);(288.056976,1400.0);(288.456482,44.0);(288.537628,40.0);(288.605225,92.0);(288.82843,52.0);(289.026947,136.0);(289.051727,96.0);(289.075409,180.0);(289.23111,52.0);(289.315735,60.0);(289.529053,100.0);(290.053009,168.0);(290.240692,116.0);(290.936218,60.0);(291.167114,52.0);(292.462524,56.0);(292.598694,84.0);(294.914948,68.0);(300.384979,80.0);(306.068909,144.0);(313.305115,80.0);(320.112854,128.0);(337.079468,68.0);(342.918335,96.0);(347.103241,96.0);(365.826752,64.0);(369.008514,116.0);(378.439026,84.0);(399.138794,68.0);(409.955231,40.0);(413.140991,204.0);(453.047302,104.0);(936.94397,156.0);(987.034668,272.0);(1016.045959,164.0);(1022.094604,140.0);(1025.807617,180.0);(1071.130005,148.0);(1122.760864,48.0);(1127.44751,176.0);(1129.466553,108.0);(1131.387207,172.0);(1143.550293,168.0);(1152.586914,76.0);(1165.032959,152.0);(1173.806152,132.0);(1176.569458,136.0);(1182.865479,180.0);(1207.525879,136.0);(1243.786011,188.0);(1254.196167,160.0);(1254.534546,132.0);(1256.459717,20.0);(1259.240967,32.0);(1259.622314,60.0);(1270.368042,140.0);(1291.652954,252.0);(1300.265259,188.0);(1311.341064,156.0);(1314.341064,220.0);(1322.514526,60.0);(1323.890137,124.0);(1338.347656,212.0);(1345.887085,140.0);(1357.514404,204.0);(1363.159424,144.0);(1373.953369,212.0);(1390.039673,164.0);(1402.592651,180.0);(1412.838013,76.0);(1424.930786,140.0);(1427.742065,160.0);(1456.067749,172.0);(1467.962402,176.0);(1476.30896,44.0);(1482.663086,176.0);(1484.817261,180.0);(1492.150513,136.0);(1493.065552,140.0);(1493.450073,140.0);(1493.56543,116.0);(1497.775879,140.0);(1502.856201,200.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(65.0,0.51403);(67.0,0.22449);(79.0,0.19451);(83.0,1.14053);(91.0,0.22328);(92.0,0.56258);(93.0,6.98028);(95.0,0.55651);(105.0,1.04616);(107.0,3.12199);(108.0,1.80852);(109.0,3.67003);(115.0,0.55793);(116.0,0.21731);(117.0,3.65105);(119.0,1.8264);(120.0,1.28629);(121.0,0.7278);(123.0,1.14812);(124.0,0.15482);(127.0,0.10539);(129.0,0.57497);(130.0,1.62389);(131.0,2.57538);(132.0,0.37503);(133.0,2.46625);(134.0,0.18478);(135.0,3.03214);(136.0,1.42602);(137.0,3.56142);(139.0,0.22452);(141.0,1.27888);(142.0,0.17827);(143.0,6.88723);(145.0,7.34793);(146.0,0.51392);(147.0,0.962);(148.0,0.34087);(149.0,0.30507);(151.0,2.77796);(152.0,0.37211);(153.0,0.52529);(154.0,7.3408);(155.0,4.90786);(156.0,1.9457);(157.0,7.88436);(158.0,1.90403);(159.0,11.83809);(160.0,0.11308);(161.0,6.27715);(162.0,0.21269);(163.0,4.49018);(164.0,3.18847);(165.0,1.0438);(167.0,6.13558);(168.0,2.69175);(169.0,7.44656);(170.0,0.67814);(171.0,11.31871);(172.0,0.40739);(173.0,6.15223);(174.0,1.00014);(175.0,0.65919);(179.0,0.51369);(181.0,0.22255);(182.0,1.2972);(183.0,5.25185);(184.0,3.64783);(185.0,16.4596);(186.0,0.70213);(187.0,13.86389);(189.0,1.92038);(190.0,0.18796);(191.0,0.88294);(192.0,0.72638);(193.0,0.10167);(194.0,0.15945);(195.0,3.73296);(196.0,1.25964);(197.0,1.01318);(198.0,2.24081);(199.0,1.28597);(200.0,0.59966);(201.0,5.11455);(202.0,0.2184);(210.0,1.6893);(211.0,12.53933);(212.0,1.50639);(213.0,6.38903);(214.0,8.50671);(215.0,3.86331);(217.0,0.4572);(219.0,2.07516);(222.0,0.13182);(223.0,0.52088);(224.0,0.1368);(226.0,0.25986);(227.0,9.47705);(228.0,0.37685);(229.0,11.41654);(238.0,0.23746);(239.0,18.83946);(240.0,2.98397);(241.0,1.64996);(242.0,0.3407);(243.0,5.63226);(255.0,9.57244);(256.0,1.32371);(257.0,2.26499);(266.0,0.4704);(267.0,2.68175);(268.0,2.2393);(270.0,0.135);(283.0,0.21133);(284.0,1.53199);(285.0,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.0,0.61248);(60.0,0.1116);(63.0,2.43869);(64.0,0.47407);(65.0,7.95021);(66.0,0.31472);(67.0,3.86845);(69.0,1.23199);(77.0,0.72775);(78.0,0.53267);(79.0,2.31076);(80.0,1.18138);(83.0,9.90614);(89.0,0.69788);(90.0,0.21442);(91.0,9.15118);(92.0,6.45703);(93.0,69.9076);(94.0,1.78272);(95.0,11.659);(97.0,1.847);(102.0,0.12895);(103.0,0.20653);(104.0,0.21302);(105.0,5.26127);(107.0,19.02097);(108.0,30.43675);(109.0,25.52717);(110.0,0.50689);(111.0,1.02095);(113.0,0.18016);(115.0,5.91856);(117.0,91.47357);(118.0,0.92417);(119.0,21.62394);(120.0,9.74455);(121.0,14.14043);(123.0,15.47618);(124.0,2.37968);(125.0,2.58029);(126.0,0.20338);(127.0,0.92116);(128.0,1.87588);(129.0,13.62571);(130.0,12.43388);(131.0,24.0199);(132.0,5.68941);(133.0,19.96388);(134.0,0.33062);(135.0,32.02565);(136.0,13.7578);(137.0,19.55761);(139.0,3.94436);(140.0,0.17469);(141.0,14.82323);(142.0,1.91571);(143.0,79.76231);(144.0,0.91734);(145.0,66.37127);(146.0,5.85331);(147.0,3.64638);(148.0,1.72552);(149.0,0.77149);(150.0,0.959);(151.0,14.56579);(152.0,0.21546);(153.0,1.80611);(154.0,37.90071);(155.0,47.48036);(156.0,37.68298);(157.0,64.51909);(158.0,28.03291);(159.0,93.28588);(160.0,0.63912);(161.0,51.55763);(162.0,1.38197);(163.0,17.68437);(164.0,12.29484);(165.0,5.72615);(167.0,38.7074);(168.0,13.37246);(169.0,27.51683);(170.0,6.58137);(171.0,51.41394);(172.0,1.33734);(173.0,33.22871);(174.0,4.26922);(175.0,5.15259);(178.0,0.116);(179.0,1.1938);(180.0,1.35623);(181.0,0.36295);(182.0,27.08565);(183.0,68.02652);(184.0,39.98446);(185.0,60.62904);(186.0,3.07494);(187.0,71.29459);(188.0,2.12446);(189.0,3.10588);(190.0,2.47268);(191.0,11.34531);(192.0,2.39445);(193.0,0.13317);(194.0,0.48626);(195.0,31.02896);(196.0,11.02586);(197.0,6.51365);(198.0,10.53283);(199.0,11.90293);(200.0,7.37145);(201.0,16.83432);(202.0,3.59473);(205.0,0.72533);(210.0,17.83332);(211.0,97.68742);(212.0,6.92059);(213.0,27.628);(214.0,34.6189);(215.0,7.81473);(216.0,1.13069);(217.0,2.51207);(219.0,4.22592);(223.0,4.09605);(224.0,1.49792);(225.0,1.49043);(226.0,2.15116);(227.0,93.28365);(228.0,3.46082);(229.0,25.60861);(231.0,0.13846);(237.0,0.42266);(238.0,6.02615);(239.0,82.30485);(240.0,14.67019);(241.0,2.58255);(242.0,0.90456);(243.0,11.55014);(250.0,0.18221);(255.0,54.04882);(256.0,4.849);(257.0,3.87497);(258.0,0.23601);(266.0,0.20441);(267.0,17.36752);(268.0,8.12077);(269.0,1.53421);(283.0,1.46304);(284.0,1.98346);(285.0,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(41.0,0.24082);(63.0,2.0304);(65.0,11.80102);(67.0,2.69067);(69.0,0.8983);(75.0,0.23415);(77.0,0.80896);(79.0,3.2491);(80.0,1.90675);(81.0,0.10876);(83.0,2.68178);(89.0,0.40383);(91.0,4.70783);(92.0,7.03971);(93.0,60.69791);(94.0,0.86698);(95.0,5.53256);(96.0,0.11022);(97.0,0.35672);(102.0,0.1788);(103.0,0.64677);(104.0,0.75473);(105.0,5.29482);(106.0,0.11837);(107.0,9.6101);(108.0,27.38466);(109.0,12.88843);(113.0,0.3642);(115.0,5.34381);(116.0,1.75341);(117.0,100.0);(119.0,13.59672);(120.0,4.97663);(121.0,7.75819);(122.0,0.76676);(123.0,7.83657);(124.0,1.04383);(126.0,1.01918);(127.0,0.62921);(128.0,1.19829);(129.0,9.05055);(130.0,14.12285);(131.0,19.44295);(132.0,9.96537);(133.0,13.41273);(134.0,0.63302);(135.0,11.65475);(136.0,3.40409);(137.0,7.7535);(139.0,2.93342);(140.0,0.24253);(141.0,10.7221);(142.0,2.60676);(143.0,59.96374);(144.0,2.11078);(145.0,54.68374);(146.0,1.87105);(147.0,3.42056);(149.0,0.24319);(151.0,3.32206);(153.0,3.46144);(154.0,18.56579);(155.0,25.0459);(156.0,34.876);(157.0,30.77711);(158.0,32.62829);(159.0,47.32268);(160.0,2.38282);(161.0,32.35127);(162.0,0.46629);(163.0,9.82086);(164.0,1.99654);(165.0,1.55062);(167.0,28.89818);(168.0,5.45442);(169.0,9.0621);(170.0,2.23447);(171.0,23.18246);(172.0,4.45647);(173.0,13.23539);(174.0,6.78504);(175.0,1.39472);(179.0,1.39016);(180.0,0.1591);(182.0,31.42635);(183.0,48.81581);(184.0,14.62769);(185.0,27.34616);(186.0,4.37626);(187.0,29.66061);(189.0,1.26474);(190.0,1.54545);(191.0,5.91382);(192.0,0.40852);(194.0,0.17841);(195.0,8.93064);(196.0,3.31277);(197.0,5.63188);(198.0,4.82156);(199.0,3.80792);(200.0,2.20171);(201.0,9.72093);(203.0,0.71347);(204.0,0.11579);(205.0,1.38212);(210.0,23.17614);(211.0,47.31848);(212.0,1.114);(213.0,15.83634);(214.0,6.73811);(215.0,1.38108);(216.0,0.8773);(217.0,0.51586);(219.0,0.28138);(222.0,0.66776);(223.0,3.33957);(224.0,0.37779);(225.0,0.75556);(226.0,2.25273);(227.0,62.36435);(228.0,0.67919);(229.0,4.5119);(237.0,0.44059);(238.0,6.7286);(239.0,32.70978);(240.0,5.1131);(241.0,0.5953);(242.0,0.94127);(243.0,2.50246);(253.0,0.28877);(255.0,28.77619);(256.0,1.68221);(257.0,0.69067);(265.0,0.32135);(266.0,1.68181);(267.0,14.54835);(268.0,4.1019);(269.0,1.37776);(283.0,0.13529);(284.0,0.86863);(285.0,7.04769)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(93.0338,3.256513);(107.0136,1.528056);(108.0212,1.227455);(117.0346,2.47996);(143.0505,1.928858);(145.0301,1.452906);(151.0043,1.828657);(154.0431,1.152305);(155.05,1.102204);(159.0456,2.154309);(161.0246,1.152305);(163.0045,1.002004);(169.066,1.177355);(171.0456,1.503006);(183.046,1.202405);(185.0615,2.329659);(187.0406,2.179359);(211.0405,2.004008);(213.0562,1.102204);(214.0277,1.002004);(227.0353,1.653307);(229.0511,1.953908);(239.0355,2.154309);(255.0304,1.002004);(257.0461,1.177355);(285.0399,100.0);(285.2643,1.528056);(285.2979,3.131263);(286.0442,6.212425)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(50.5644,2.589928);(51.4676,2.374101);(52.4136,3.021583);(53.2875,2.94964);(54.2127,2.302158);(55.2823,2.805755);(58.9573,2.805755);(59.8702,2.230216);(60.8869,2.589928);(63.0446,9.640288);(64.0747,2.877698);(65.0786,12.661871);(66.0003,3.021583);(67.0539,5.395683);(69.0104,3.956835);(69.9423,2.158273);(70.8238,2.086331);(72.0766,2.014388);(74.6172,2.733813);(75.474,2.230216);(77.0471,4.100719);(78.0449,2.014388);(79.05,7.410072);(80.0285,6.546763);(81.0017,4.676259);(82.0036,2.877698);(83.05,19.71223);(83.8994,3.956835);(84.9541,2.374101);(86.0858,2.446043);(89.0492,5.755396);(91.0593,15.755396);(92.0873,17.697842);(93.0676,100.0);(93.9854,15.035971);(95.0551,17.985612);(96.002,5.323741);(97.0403,3.021583);(103.1898,2.589928);(104.1064,2.158273);(105.0908,15.827338);(106.0276,6.043165);(107.0513,39.496403);(108.0639,48.992806);(109.0376,31.654676);(109.9277,5.395683);(111.2568,3.453237);(112.7401,2.014388);(114.1555,2.014388);(115.1314,6.18705);(116.1727,3.669065);(117.0751,65.827338);(117.9098,10.0);(119.0742,21.870504);(120.0183,15.467626);(120.9995,14.316547);(121.9386,4.604317);(123.046,15.251799);(123.9722,6.546763);(125.2215,3.23741);(126.8559,3.669065);(127.9269,4.676259);(129.0273,11.007194);(130.0572,16.330935);(131.0816,30.791367);(132.0248,12.014388);(133.0744,24.604317);(133.9427,5.827338);(135.0515,31.007194);(136.039,20.57554);(137.0343,22.733813);(137.8563,5.539568);(139.0526,5.467626);(140.0088,3.381295);(141.0439,11.942446);(142.0636,11.223022);(143.0891,71.223022);(143.9902,14.892086);(145.0621,57.697842);(145.9295,14.388489);(147.0319,11.223022);(147.9552,5.827338);(148.9784,4.532374);(150.0483,3.309353);(151.0221,23.021583);(151.941,6.618705);(152.9693,4.676259);(154.0671,28.057554);(155.058,36.18705);(156.076,35.107914);(157.0755,56.043165);(158.0283,33.309353);(159.0665,73.381295);(159.956,17.194245);(161.0433,48.273381);(161.8954,9.928058);(163.0115,21.294964);(164.0143,21.726619);(165.0109,10.143885);(165.9855,4.676259);(167.0799,30.0);(168.0288,16.043165);(169.0761,22.230216);(170.0492,12.230216);(171.0715,41.079137);(171.9852,10.28777);(173.061,26.330935);(174.0066,11.798561);(175.011,8.776978);(175.9731,3.453237);(176.9536,3.884892);(177.8132,2.086331);(179.0608,4.100719);(180.0178,3.884892);(181.051,2.805755);(182.0578,14.100719);(183.0829,39.928058);(184.0469,32.661871);(185.0543,54.388489);(185.9664,17.194245);(187.059,61.438849);(187.9721,14.964029);(188.9734,7.841727);(189.9567,4.676259);(190.9975,9.42446);(191.9998,6.618705);(192.9169,3.381295);(193.7756,2.374101);(195.0768,17.122302);(196.0077,7.410072);(196.9886,8.417266);(198.0272,9.42446);(199.0491,10.071942);(200.0546,6.690647);(201.0566,15.755396);(201.9591,5.395683);(209.0081,3.165468);(210.0628,13.381295);(211.0589,57.697842);(211.9972,17.482014);(213.0171,18.489209);(214.0131,26.043165);(215.0003,17.913669);(215.9017,6.402878);(216.8992,3.52518);(218.1631,2.517986);(219.0885,5.755396);(220.8813,2.014388);(223.0355,6.115108);(223.9845,3.093525);(224.8375,2.733813);(225.803,4.748201);(227.049,52.230216);(228.0157,12.733813);(229.0383,26.906475);(229.9445,6.18705);(231.4677,2.589928);(235.8513,2.158273);(238.0285,6.978417);(239.0543,47.05036);(240.0088,20.503597);(240.9618,8.776978);(241.9942,3.453237);(243.0377,11.151079);(243.9095,2.877698);(252.5667,2.014388);(255.0522,36.258993);(255.9836,10.215827);(257.0052,7.410072);(257.9217,2.517986);(266.0464,2.94964);(267.0702,14.748201);(268.0515,14.748201);(268.9888,3.81295);(282.7227,3.165468);(284.0126,8.201439);(285.0527,81.007194);(285.9692,16.618705);(287.0686,4.100719);(288.7403,2.014388)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(64.9965,4.495);(93.023,6.698);(97.0178,5.852);(119.0343,79.42);(164.9985,38.64);(285.0399,33.52)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(151.0034,0.856531);(159.0378,0.535332);(284.2637,0.785153);(285.0399,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0187,0.974901);(108.0193,0.497822);(131.0536,0.611906);(135.0077,1.20307);(137.0243,1.047501);(142.0284,0.622278);(147.0111,1.057872);(151.0054,2.385397);(159.0388,0.757104);(163.0044,0.497822);(167.0552,1.026758);(167.8625,0.715619);(169.0666,1.151213);(172.6648,1.068243);(173.019,1.835719);(185.0623,1.555694);(187.043,1.680149);(188.1568,0.757104);(197.0607,0.715619);(213.0527,0.995644);(214.0256,0.72599);(215.0297,1.265298);(229.054,1.949803);(239.0414,0.663763);(240.034,0.96453);(255.0367,0.933416);(267.9402,0.580792);(268.046,0.539307);(284.9227,0.850446);(284.9954,1.037129);(285.04,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(100.4873,4.301075);(103.0552,6.09319);(105.0354,12.365591);(107.0173,17.383513);(108.0217,66.666667);(108.0467,4.659498);(109.0292,24.910394);(115.0566,13.44086);(117.0341,63.799283);(117.0632,7.168459);(119.0137,10.394265);(119.0501,7.526882);(120.0228,22.939068);(121.0272,32.258065);(123.0108,10.394265);(123.7443,5.017921);(127.0496,11.827957);(129.0327,18.27957);(129.0642,8.422939);(131.0463,41.577061);(132.0237,12.903226);(132.0352,5.376344);(133.0315,11.469534);(135.0083,27.419355);(135.0417,12.903226);(136.0141,7.34767);(137.0248,22.759857);(141.0345,6.451613);(143.0492,39.247312);(145.0262,43.90681);(147.0394,4.301075);(147.7113,4.121864);(148.9871,3.942652);(149.0254,3.942652);(151.002,18.996416);(151.0428,8.422939);(154.0409,12.18638);(155.047,20.250896);(155.061,5.555556);(156.0573,25.268817);(157.0273,21.505376);(157.0623,37.455197);(158.0379,43.010753);(159.0448,100.0);(159.5159,3.763441);(161.0257,41.039427);(161.0529,8.243728);(163.0043,5.734767);(164.0064,9.498208);(167.0502,32.97491);(168.0525,15.770609);(170.0357,13.261649);(171.0446,24.014337);(173.0247,13.978495);(175.041,3.763441);(182.0342,20.609319);(183.0454,28.136201);(183.0654,4.121864);(184.0523,10.215054);(185.0313,12.007168);(185.0621,23.835125);(187.0384,47.670251);(189.051,12.903226);(190.9959,8.602151);(195.0394,16.845878);(196.05,7.885305);(197.0204,8.602151);(197.0601,4.83871);(198.0311,16.666667);(199.0374,8.064516);(201.0517,7.706093);(201.0669,12.365591);(210.0323,13.799283);(211.0398,32.078853);(211.0709,4.659498);(213.0524,18.817204);(214.0281,10.394265);(226.0378,4.480287);(227.0267,23.655914);(227.0498,5.555556);(227.1762,3.942652);(229.0498,27.598566);(230.0176,4.301075);(238.0136,5.913978);(239.0238,6.630824);(239.0408,15.232975);(240.0419,23.11828);(243.0174,4.659498);(255.0292,31.899642);(267.0224,10.215054);(284.0261,6.989247);(285.0413,29.928315)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(107.207117,1.039613);(143.278209,0.64163);(151.22709,8.801805);(154.257573,1.866507);(155.279185,0.837333);(157.256277,0.625557);(159.267709,0.671237);(163.223884,1.445368);(165.237157,1.128323);(167.264749,1.0941);(169.287343,3.857944);(171.244249,1.510349);(173.248966,1.814536);(185.269073,4.014883);(187.253156,1.737614);(189.258951,0.540872);(192.218947,0.517175);(195.258024,1.454045);(196.263139,0.502867);(197.265872,0.973427);(198.244424,0.71987);(199.254128,1.809297);(201.25632,0.837946);(211.246838,1.711495);(212.265646,0.645373);(213.260896,5.22962);(214.230059,2.607589);(215.236616,1.986344);(217.24921,0.561128);(227.239483,0.635248);(229.244674,5.634792);(239.233126,3.796942);(240.239338,1.170973);(241.253174,4.417493);(243.20204,4.422223);(255.240087,0.520146);(256.235914,0.874689);(257.217229,6.641348);(267.217948,1.989605);(285.222003,100.0);(286.082475,39.879114)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(107.238526,0.926612);(143.31977,0.622555);(151.267012,7.34265);(154.307168,1.692909);(155.317945,0.783283);(157.308119,0.60941);(159.323663,0.626747);(163.272249,1.361328);(165.285429,1.021261);(167.318172,1.054777);(169.338029,3.611191);(171.290004,1.330956);(173.295805,1.63248);(185.321418,3.867629);(187.294102,1.59325);(195.306956,1.405189);(197.308353,0.868625);(198.294862,0.654663);(199.28713,1.605091);(201.31278,0.78509);(211.28713,1.596146);(212.30298,0.620259);(213.30768,4.809676);(214.269305,2.40686);(215.280732,1.767799);(227.286074,0.582424);(229.287529,5.122049);(239.276868,3.549527);(240.277735,1.07909);(241.29341,3.808654);(243.244133,4.32543);(255.273713,0.505069);(256.272852,0.772694);(257.258576,6.043534);(267.25498,1.895045);(285.243463,100.0);(286.070726,44.946017)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(92.981642,0.68819);(106.971005,8.279699);(135.03566,0.884878);(137.038036,0.507865);(143.020139,1.213326);(145.010981,1.073434);(150.97519,100.0);(154.027102,3.690996);(155.027163,1.912093);(157.03647,1.268707);(159.034673,1.327535);(162.984789,5.34262);(165.009215,2.982333);(167.027296,3.027962);(168.052314,0.708539);(169.070412,11.032344);(170.034468,0.569865);(171.051635,3.63042);(173.015567,4.828256);(185.059546,11.0952);(186.061882,0.558735);(187.013286,4.514966);(189.026558,1.552402);(192.014907,1.897094);(195.052813,3.912771);(196.069235,1.632893);(197.078134,3.718413);(198.027758,1.906538);(199.046261,6.530199);(201.048259,1.855814);(211.050523,3.746553);(212.03577,1.730561);(213.057759,22.625461);(214.032915,7.692713);(215.052226,5.16308);(217.052698,1.894426);(223.087649,0.966483);(226.102717,0.584414);(227.028689,1.449762);(229.065419,14.639372);(230.078243,0.584958);(239.055975,9.514794);(240.068686,5.063764);(241.065411,35.226358);(241.976704,0.73089);(243.052083,12.088032);(244.166672,0.531359);(255.040922,5.585365);(256.05333,6.021919);(257.061236,54.381177);(267.078451,6.740317);(268.035502,1.429951);(285.049969,7.504196)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(93.018745,0.581878);(106.979188,7.608975);(134.975563,0.642324);(143.022834,1.132325);(145.04596,0.708702);(150.995928,100.0);(154.022597,4.060015);(155.052932,1.985562);(157.05033,0.98352);(159.039112,1.324598);(163.004347,3.90901);(165.012413,3.114638);(167.042671,2.497763);(168.040339,0.670376);(169.066915,10.060909);(171.035908,3.593506);(173.036841,4.435144);(185.076221,10.135439);(187.033821,4.237335);(189.032088,1.109285);(192.004332,1.96394);(195.059761,3.263647);(196.064181,1.253887);(197.072861,2.969162);(198.021627,1.460005);(199.061612,6.639682);(201.062381,1.657081);(211.047554,3.670705);(212.068746,1.725849);(213.075136,23.217075);(214.061691,7.336607);(215.066813,5.32398);(217.088078,1.900616);(223.076104,1.02908);(226.043097,0.577727);(227.034247,1.502356);(229.07786,13.262262);(230.105008,0.582323);(239.064302,9.619043);(240.068308,4.172409);(241.062286,34.544861);(243.058865,11.911034);(244.105857,0.56579);(255.040874,4.546368);(256.058947,6.948596);(257.067587,54.018231);(258.079334,0.710476);(267.058112,5.722128);(268.063816,1.106689);(285.055658,7.495701)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(92.983482,0.575428);(106.974304,7.335185);(130.02765,0.519717);(135.019121,0.893037);(137.032655,0.486137);(141.037194,0.462432);(143.032751,1.550035);(145.027807,0.953416);(146.976103,0.496482);(150.991727,91.246108);(154.034093,5.72342);(155.044491,2.862069);(157.040269,1.28737);(159.024683,1.805928);(163.003566,5.213381);(164.032771,0.597725);(165.02354,3.874925);(167.033219,3.395558);(168.026989,0.988877);(169.067372,15.198121);(170.067162,0.800247);(171.04655,4.563965);(173.031799,6.76608);(185.078614,14.940055);(186.061792,0.497039);(187.051777,6.566016);(189.069614,1.315912);(192.004707,1.87075);(195.066678,5.009656);(196.065913,1.625255);(197.069541,3.937341);(198.080969,2.157919);(199.055652,8.145564);(201.054292,2.075433);(211.04913,5.257407);(212.050969,2.40506);(213.070889,27.981896);(214.057092,10.81727);(215.068087,8.475293);(217.061633,1.889886);(223.094271,0.985323);(225.995618,0.494613);(227.046717,1.720283);(229.079533,21.401769);(230.080509,0.836517);(239.063032,14.262655);(240.074129,5.187258);(241.080195,35.136088);(242.069917,0.708902);(243.05908,18.319476);(244.112464,0.700051);(255.053361,5.884038);(256.068237,8.073232);(257.067658,54.461922);(258.078723,0.841808);(267.068205,8.980241);(268.069266,1.566879);(285.065911,10.204313);(286.105169,0.488153)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(107.206921,0.518948);(151.248608,4.800959);(154.335295,0.812527);(155.166669,0.504813);(163.275077,0.664161);(165.279754,0.520743);(169.340408,1.773613);(171.305214,0.70984);(173.309552,0.834971);(185.329533,1.823096);(187.313577,0.853583);(195.301721,0.721529);(199.278422,0.899513);(211.342679,0.798026);(213.318936,2.853428);(214.166671,1.673263);(215.166671,1.120096);(229.331891,2.821804);(239.325446,1.909946);(240.166672,0.873581);(241.262298,2.745522);(243.2967,2.379117);(256.166672,0.511656);(257.276647,4.369309);(267.257188,1.122845);(285.330326,100.0);(286.000007,82.626941)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(151.496475,2.402949);(154.554345,0.547393);(169.543101,1.166559);(173.508851,0.555545);(185.525442,1.271936);(187.515955,0.54835);(199.491076,0.584775);(211.535911,0.568271);(213.530874,1.761541);(214.416671,0.996617);(215.416671,0.708248);(229.524741,1.967433);(239.495796,1.430527);(241.486009,1.58425);(243.470536,1.699747);(257.47613,2.736141);(267.445845,0.775);(285.330402,100.0);(286.000007,79.709015)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(107.014,9.60961);(108.0214,18.118118);(109.0295,18.118118);(115.0555,10.01001);(117.0346,74.874875);(118.0398,8.608609);(121.0287,10.11011);(123.0094,7.207207);(130.0425,15.715716);(131.0507,24.224224);(133.0317,16.616617);(135.0153,21.721722);(136.0173,9.60961);(137.0257,13.413413);(143.0501,33.033033);(145.0313,37.337337);(151.005,15.015015);(151.0086,15.015015);(154.0428,12.812813);(155.0502,14.814815);(156.0566,21.121121);(157.0537,31.431431);(158.0405,14.214214);(159.045,42.042042);(161.0262,32.732733);(163.0061,15.515516);(164.0121,11.711712);(167.0513,12.712713);(169.0488,7.807808);(171.0455,29.62963);(173.0361,9.90991);(183.0453,16.716717);(184.052,17.017017);(185.0607,37.537538);(187.0404,37.137137);(195.0456,7.807808);(196.052,9.409409);(199.0403,12.812813);(201.0566,9.309309);(210.0324,8.108108);(211.0413,28.828829);(213.0419,8.108108);(214.029,9.70971);(215.0371,8.508509);(219.032,7.707708);(227.035,60.16016);(228.0418,12.612613);(229.0503,37.837838);(239.0349,55.155155);(240.0399,16.616617);(243.0311,12.412412);(255.029,37.337337);(256.0356,12.312312);(257.043,7.307307);(267.0306,19.61962);(268.0377,10.710711);(285.0415,100.0);(286.0433,18.018018)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(108.0221,13.913914);(109.0297,18.218218);(117.0346,100.0);(119.0489,12.012012);(130.0419,15.115115);(131.0508,16.416416);(132.0263,12.712713);(133.0297,12.012012);(135.0218,12.912913);(141.0337,11.811812);(143.0504,23.523524);(145.0315,18.318318);(154.0433,10.31031);(156.0589,11.211211);(157.0455,11.311311);(158.0371,29.229229);(159.0459,20.720721);(161.0277,17.917918);(167.0518,10.31031);(171.0449,13.213213);(182.0368,13.313313);(183.0459,23.823824);(187.0383,16.316316);(210.0314,11.611612);(211.0382,17.117117);(227.0357,48.748749);(228.041,10.21021);(239.0347,19.219219);(255.0296,28.828829);(267.0312,14.014014)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(285.0409,100.0);(286.0439,10.610611)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(287.055,100.0);(288.061,3.06025)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(153.018,0.93478);(287.055,100.0);(288.06,4.17681)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(55.051,0.85688);(67.018,0.73557);(68.996,4.51431);(69.07,2.28033);(77.037,0.72422);(79.054,1.55702);(81.035,0.72376);(93.032,1.69514);(103.053,0.93821);(105.037,4.70695);(107.05,7.26034);(109.028,4.76602);(111.012,11.25852);(115.052,2.1463);(117.068,1.60382);(119.047,2.03271);(121.028,59.9273);(122.032,1.51522);(127.043,2.24716);(128.06,1.75738);(129.067,3.44843);(131.049,1.05043);(133.031,7.41936);(135.047,3.54748);(136.017,1.60064);(137.023,18.08723);(139.053,1.21945);(141.07,2.51022);(143.051,1.13448);(145.06,5.44298);(147.045,12.4398);(153.018,100.0);(154.021,2.40073);(155.059,1.52794);(157.065,13.20309);(161.059,4.29986);(163.042,1.02135);(165.02,33.16674);(166.027,1.7642);(167.052,1.05452);(169.068,1.43707);(171.046,6.71967);(173.059,1.20763);(175.057,2.39891);(183.034,5.74284);(184.053,1.33939);(185.063,9.81372);(189.058,2.31304);(197.062,2.11404);(201.056,1.14584);(203.059,3.47933);(213.059,26.88323);(214.061,1.34848);(216.045,1.83598);(217.055,1.398);(229.049,5.94275);(231.067,11.67197);(241.053,14.30259);(242.058,1.78828);(243.066,2.07769);(245.046,1.65425);(258.058,18.84144);(259.067,7.11495);(269.053,2.2408);(287.055,82.37165);(288.057,4.23489)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(53.036,1.73989);(55.015,2.97452);(57.067,1.27768);(65.037,8.34446);(67.017,7.23638);(68.996,39.0949);(70.062,1.16257);(77.037,10.1406);(78.045,0.89367);(79.054,8.68102);(81.033,4.93937);(83.013,1.80756);(89.036,1.07733);(91.052,4.95079);(93.034,8.34974);(94.041,0.96837);(95.047,3.31019);(97.028,3.83304);(103.053,2.32162);(105.039,10.17575);(106.043,1.54569);(107.049,15.32513);(108.023,3.84886);(109.027,6.45694);(111.043,7.86028);(115.053,17.60984);(116.058,1.33831);(117.065,3.19508);(119.051,9.10369);(121.03,73.81371);(122.034,2.22056);(123.042,1.65554);(125.023,1.83216);(127.049,7.17223);(128.06,23.21617);(129.064,9.88577);(131.049,6.55097);(132.053,1.0123);(133.029,2.12127);(134.032,1.06063);(135.046,2.12478);(136.014,3.2065);(137.022,12.52197);(139.054,7.8717);(140.059,0.8768);(141.069,2.73023);(143.049,4.25308);(144.055,1.05097);(145.061,7.66344);(147.044,9.05097);(151.042,1.20387);(153.018,100.0);(154.022,3.17838);(155.059,6.76626);(156.06,1.07645);(157.066,21.18629);(158.066,1.18893);(160.053,1.70475);(161.055,3.8761);(163.041,2.21441);(165.02,5.92794);(166.03,0.93937);(167.051,2.03954);(168.059,2.44376);(171.047,6.7522);(183.041,1.50439);(184.055,4.07206);(185.063,4.4587);(187.041,1.35149);(188.051,0.93409);(195.05,1.32601);(197.058,0.87654);(201.058,1.55185);(203.037,1.05185);(212.053,0.95782);(213.059,13.55888);(216.044,2.52636);(229.052,10.9754);(230.056,0.92091);(241.052,1.79613);(257.053,1.77065);(258.048,1.85149);(269.043,1.2891);(285.041,1.2232)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(69.0,0.2353);(79.0,0.11429);(81.0,0.12267);(93.0,0.32077);(103.0,0.16866);(105.0,0.47029);(107.0,0.50339);(109.0,0.37247);(111.0,1.26118);(121.0,4.40508);(127.0,0.15506);(129.0,0.1774);(133.0,1.19348);(135.0,0.28254);(136.0,0.12293);(137.0,1.99736);(141.0,0.2968);(145.0,0.78334);(147.0,1.39772);(149.0,0.10038);(153.0,9.11331);(157.0,1.19788);(161.0,0.46693);(165.0,8.31319);(167.0,0.11819);(169.0,0.19058);(171.0,0.84736);(173.0,0.19609);(175.0,0.39434);(177.0,0.13953);(183.0,0.16047);(185.0,1.4429);(189.0,0.45145);(197.0,0.64305);(199.0,0.23689);(201.0,0.20055);(203.0,0.64175);(205.0,0.13083);(213.0,5.43354);(215.0,0.103);(216.0,0.10093);(217.0,0.29783);(223.0,0.13382);(228.0,0.10934);(229.0,0.30609);(231.0,2.43677);(241.0,3.31797);(243.0,0.57858);(245.0,0.27093);(258.0,4.51855);(259.0,1.30986);(269.0,0.50194);(286.0,0.15107);(287.0,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(65.0,0.33004);(67.0,0.36858);(69.0,4.78766);(71.0,0.17188);(77.0,1.61628);(79.0,0.98534);(81.0,0.57769);(83.0,0.13524);(89.0,0.11892);(91.0,0.46708);(93.0,3.5124);(94.0,0.37951);(95.0,0.35096);(97.0,0.22992);(99.0,0.13442);(103.0,0.81787);(105.0,3.122);(107.0,3.06925);(109.0,3.74641);(110.0,0.15207);(111.0,5.46921);(115.0,1.29384);(117.0,0.21013);(119.0,0.9403);(121.0,24.79026);(123.0,0.3048);(124.0,0.15127);(125.0,0.26215);(126.0,0.16901);(127.0,1.50357);(128.0,1.57339);(129.0,1.71043);(131.0,0.85365);(132.0,0.15781);(133.0,5.47275);(134.0,0.25851);(135.0,1.32448);(136.0,0.86093);(137.0,11.51646);(138.0,0.10248);(139.0,0.9012);(141.0,2.13681);(143.0,0.47009);(145.0,3.3579);(147.0,7.02441);(149.0,0.44635);(151.0,0.31274);(152.0,0.1809);(153.0,59.42044);(155.0,0.35295);(157.0,9.38102);(159.0,0.14742);(160.0,0.38378);(161.0,3.40055);(163.0,0.55492);(165.0,31.27685);(166.0,0.24487);(167.0,0.51176);(168.0,0.30862);(169.0,1.02681);(171.0,3.95453);(173.0,0.71471);(174.0,0.17526);(175.0,2.80666);(179.0,0.79476);(181.0,0.11547);(183.0,0.68714);(184.0,0.84158);(185.0,8.54659);(187.0,0.17179);(188.0,0.53605);(189.0,2.29084);(190.0,0.16372);(191.0,0.20071);(193.0,0.64851);(194.0,0.5271);(195.0,0.85175);(197.0,2.29816);(199.0,1.22491);(200.0,0.20279);(201.0,0.72491);(202.0,0.27235);(203.0,2.39702);(207.0,0.14468);(212.0,1.14662);(213.0,24.07431);(216.0,1.11209);(217.0,1.14619);(218.0,0.50194);(219.0,0.20446);(223.0,0.56011);(225.0,0.25402);(227.0,0.25422);(229.0,3.57116);(230.0,0.11216);(231.0,6.6664);(232.0,0.31036);(240.0,0.25218);(241.0,10.13688);(242.0,0.67198);(243.0,1.21867);(244.0,0.18452);(245.0,0.92557);(251.0,0.12223);(252.0,0.18179);(257.0,0.34786);(258.0,17.86565);(259.0,4.78882);(263.0,0.12175);(268.0,0.11374);(269.0,1.6134);(270.0,0.27945);(285.0,0.30781);(286.0,0.14554);(287.0,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(43.0,0.30563);(53.0,0.23828);(55.0,0.16168);(57.0,0.13569);(65.0,2.71853);(66.0,0.35261);(67.0,1.96643);(69.0,13.58143);(71.0,0.26234);(77.0,5.83293);(79.0,3.72225);(81.0,2.42671);(83.0,0.36713);(85.0,0.40542);(89.0,0.30012);(91.0,1.62023);(93.0,10.56955);(94.0,0.41595);(95.0,0.91794);(97.0,1.63921);(99.0,0.25666);(101.0,0.22758);(102.0,0.12122);(103.0,2.23762);(105.0,6.50554);(106.0,0.20541);(107.0,10.01612);(108.0,0.92705);(109.0,7.23345);(110.0,0.22635);(111.0,6.31565);(113.0,0.11056);(115.0,4.40587);(117.0,1.57928);(119.0,2.85662);(120.0,0.10763);(121.0,41.94151);(122.0,0.10613);(123.0,0.81064);(124.0,0.16083);(125.0,0.85034);(126.0,0.14457);(127.0,4.66131);(128.0,6.2367);(129.0,5.16506);(131.0,1.25502);(133.0,4.36246);(134.0,0.31986);(135.0,2.52279);(136.0,2.27532);(137.0,16.91458);(138.0,0.15831);(139.0,3.33878);(140.0,0.22414);(141.0,3.42594);(143.0,2.52435);(144.0,0.23399);(145.0,7.65497);(146.0,0.29305);(147.0,12.78497);(148.0,0.22788);(149.0,0.48599);(150.0,0.46708);(151.0,0.91112);(153.0,100.0);(155.0,1.15067);(157.0,19.23269);(158.0,0.19289);(159.0,0.32938);(160.0,1.84721);(161.0,4.90285);(163.0,1.95353);(165.0,24.74352);(166.0,0.60554);(167.0,1.86329);(168.0,1.16624);(169.0,0.86858);(171.0,10.90945);(172.0,0.21788);(173.0,0.97555);(174.0,0.30578);(175.0,2.37887);(179.0,0.71213);(180.0,0.2361);(181.0,0.44528);(182.0,0.16833);(183.0,1.90689);(184.0,2.46251);(185.0,12.07075);(187.0,0.45576);(188.0,0.48932);(189.0,0.9842);(190.0,0.14611);(191.0,0.40195);(193.0,0.25075);(194.0,0.43408);(195.0,1.42305);(196.0,0.28243);(197.0,1.41662);(199.0,0.67738);(200.0,0.16949);(201.0,2.15264);(202.0,0.90398);(203.0,2.77288);(211.0,0.22977);(212.0,0.88412);(213.0,31.49461);(214.0,0.18706);(215.0,0.6265);(216.0,2.95288);(217.0,0.44945);(218.0,0.68755);(219.0,0.42264);(223.0,0.31634);(225.0,0.30257);(227.0,0.12462);(229.0,10.7186);(230.0,1.2085);(231.0,3.97745);(232.0,0.19387);(235.0,0.29696);(240.0,0.39927);(241.0,7.93901);(242.0,0.90943);(243.0,1.05202);(244.0,0.29101);(245.0,0.99102);(257.0,0.28783);(258.0,14.88863);(259.0,3.71486);(263.0,0.13906);(269.0,1.77503);(285.0,0.70021);(286.0,0.11916);(287.0,24.17231)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(239.992,0.1001);(244.932,0.2002);(258.041,0.1001);(286.831,0.1001);(286.918,0.1001);(287.05,100.0);(287.321,0.1001);(287.392,0.1001);(288.053,11.71171);(289.056,0.6006)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(153.019,0.1001);(213.051,0.3003);(231.06,0.3003);(241.046,0.3003);(244.933,0.1001);(258.049,0.6006);(259.055,0.2002);(269.044,0.1001);(287.05,100.0);(287.428,0.1001);(288.054,11.91191);(289.056,0.5005)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(121.027,0.4004);(133.027,0.1001);(137.022,0.3003);(147.043,0.2002);(153.016,1.9019);(154.018,0.1001);(157.063,0.1001);(165.017,1.1011);(171.039,0.1001);(183.027,0.5005);(185.058,0.2002);(197.057,0.1001);(203.067,0.1001);(213.053,2.002);(214.056,0.3003);(229.049,0.2002);(231.062,1.6016);(232.069,0.1001);(241.045,1.9019);(242.052,0.2002);(243.061,0.1001);(245.042,0.2002);(258.048,2.7027);(259.055,1.5015);(260.059,0.1001);(263.051,0.1001);(269.041,0.5005);(270.048,0.1001);(286.036,0.1001);(286.806,0.1001);(286.911,0.1001);(287.051,100.0);(287.233,0.1001);(287.424,0.1001);(288.053,12.11211);(289.056,0.6006)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(121.026,2.1021);(129.071,0.2002);(133.026,0.6006);(135.041,0.5005);(137.021,2.002);(138.025,0.1001);(139.051,0.2002);(141.066,0.1001);(145.062,0.9009);(147.042,2.1021);(148.049,0.1001);(149.023,0.1001);(153.016,14.21421);(154.023,0.7007);(157.062,2.2022);(158.068,0.1001);(161.058,0.6006);(165.017,5.1051);(166.021,0.6006);(167.047,0.1001);(168.053,0.1001);(169.067,0.1001);(171.042,0.7007);(175.04,0.1001);(175.074,0.1001);(183.026,2.1021);(184.037,0.1001);(185.056,2.5025);(186.062,0.1001);(188.045,0.1001);(189.05,0.4004);(191.029,0.1001);(194.015,0.2002);(195.039,0.1001);(197.055,0.5005);(199.036,0.2002);(201.053,0.2002);(203.038,0.1001);(203.07,0.7007);(212.045,0.4004);(213.051,11.01101);(213.127,0.1001);(214.055,0.9009);(215.063,0.1001);(216.039,0.7007);(217.047,0.5005);(218.056,0.1001);(219.063,0.2002);(223.038,0.3003);(224.043,0.1001);(229.044,2.1021);(230.052,0.5005);(231.061,5.70571);(232.061,0.3003);(234.947,0.2002);(240.036,0.2002);(241.045,6.60661);(242.05,1.1011);(243.062,0.9009);(244.069,0.1001);(245.04,0.3003);(246.046,0.1001);(257.04,0.4004);(258.048,11.21121);(258.154,0.1001);(259.055,5.3053);(260.057,0.5005);(263.051,0.2002);(269.039,2.2022);(270.043,0.2002);(285.032,0.2002);(286.039,0.2002);(287.05,100.0);(287.214,0.1001);(287.59,0.1001);(288.053,12.31231);(289.057,0.4004)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(107.053,0.5005);(115.055,0.7007);(115.075,0.1001);(117.028,0.3003);(117.069,0.4004);(117.085,0.1001);(118.037,0.1001);(119.046,1.1011);(121.027,12.71271);(121.071,0.1001);(122.031,0.8008);(123.036,0.2002);(124.014,0.3003);(125.016,0.1001);(127.049,1.8018);(128.06,3.6036);(129.036,0.3003);(129.066,3.4034);(130.039,0.2002);(130.081,0.1001);(131.048,0.9009);(132.076,0.2002);(133.027,2.5025);(134.031,0.7007);(135.043,1.001);(135.065,0.2002);(135.084,0.1001);(136.011,0.4004);(136.04,0.2002);(137.022,8.40841);(137.039,0.2002);(138.025,1.6016);(139.052,2.5025);(140.057,0.1001);(141.069,1.8018);(142.036,0.2002);(142.073,0.5005);(143.045,0.2002);(143.567,0.1001);(144.049,0.6006);(145.024,0.4004);(145.063,5.50551);(145.171,0.2002);(145.631,0.1001);(146.034,0.3003);(146.063,0.1001);(146.623,0.1001);(147.042,9.70971);(148.045,0.7007);(149.021,0.6006);(153.017,90.09009);(153.109,0.1001);(154.019,4.6046);(154.064,0.1001);(155.027,0.1001);(155.045,0.7007);(155.083,0.1001);(156.052,0.5005);(156.071,0.1001);(157.063,19.51952);(157.55,0.1001);(158.065,1.9019);(159.074,0.1001);(160.05,0.6006);(161.057,5.90591);(162.018,0.1001);(162.057,0.1001);(162.398,0.1001);(163.034,0.6006);(165.017,18.61862);(165.117,0.1001);(166.019,1.6016);(167.022,0.2002);(167.047,0.5005);(168.052,1.001);(169.068,0.4004);(170.067,0.3003);(171.041,6.10611);(171.263,0.1001);(172.041,0.4004);(173.016,0.1001);(173.061,0.4004);(174.023,0.2002);(175.038,0.8008);(175.077,0.6006);(175.146,0.1001);(176.032,0.2002);(177.012,0.1001);(177.049,0.3003);(179.025,0.4004);(179.045,0.1001);(181.008,0.7007);(181.091,0.1001);(183.03,5.4054);(183.184,0.1001);(184.009,0.1001);(184.045,2.002);(184.997,0.1001);(185.056,9.20921);(186.055,1.8018);(187.064,0.3003);(188.038,0.1001);(189.049,1.1011);(191.027,0.2002);(193.015,0.5005);(194.869,0.1001);(195.037,0.8008);(195.356,0.2002);(196.052,0.1001);(197.053,1.2012);(198.063,0.2002);(198.925,0.3003);(199.037,0.4004);(199.096,0.1001);(200.046,0.1001);(201.051,0.7007);(201.094,0.1001);(202.058,1.1011);(203.028,0.3003);(203.067,3.1031);(204.038,0.4004);(205.038,0.1001);(207.025,0.4004);(208.038,0.1001);(210.877,0.1001);(212.042,3.1031);(213.051,48.54855);(213.197,0.1001);(214.057,6.30631);(215.028,0.3003);(215.062,0.4004);(216.038,6.70671);(217.043,1.9019);(217.079,0.1001);(218.022,0.6006);(218.052,0.5005);(219.037,0.2002);(219.06,0.7007);(219.121,0.1001);(220.021,0.2002);(221.05,0.1001);(223.029,0.6006);(224.043,0.9009);(225.054,0.6006);(226.011,0.1001);(227.464,0.1001);(229.047,16.81682);(230.052,3.3033);(230.997,0.2002);(231.061,14.21421);(231.158,0.1001);(232.029,0.5005);(232.063,0.4004);(232.087,0.2002);(234.945,1.1011);(235.055,0.5005);(236.945,0.4004);(240.04,1.4014);(241.045,17.11712);(241.117,0.1001);(241.989,0.1001);(242.052,4.1041);(242.146,0.3003);(243.063,1.9019);(244.036,0.8008);(244.92,0.1001);(245.041,2.2022);(245.12,0.1001);(251.032,0.2002);(252.035,0.6006);(253.044,0.1001);(253.931,0.3003);(256.05,0.1001);(257.04,3.6036);(257.135,0.2002);(258.048,36.93694);(258.172,0.3003);(258.202,0.2002);(258.88,0.1001);(259.055,13.31331);(259.155,0.2002);(260.059,1.2012);(261.871,0.2002);(263.048,0.5005);(263.897,0.1001);(263.928,0.2002);(264.057,0.1001);(269.04,6.40641);(269.117,0.2002);(269.144,0.1001);(270.014,0.1001);(270.046,1.1011);(271.043,0.1001);(272.037,0.3003);(272.065,0.1001);(285.034,2.6026);(286.042,2.5025);(286.115,0.1001);(287.05,100.0);(287.142,0.8008);(287.177,0.2002);(287.988,0.1001);(288.053,14.61461);(289.075,0.2002);(302.014,0.1001);(307.009,0.1001);(323.055,0.1001);(340.086,0.1001);(352.036,0.1001);(358.695,0.1001);(361.007,0.1001);(364.186,0.1001);(385.913,0.1001);(488.372,0.1001);(503.868,0.1001);(511.638,0.1001);(515.157,0.1001);(534.485,0.1001);(620.324,0.1001)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(105.0332,0.24947);(107.0491,0.17306);(109.0286,0.170425);(111.0077,0.92369);(121.0284,3.517131);(127.0414,0.124381);(133.028,0.536039);(135.0439,0.13905);(137.0233,0.704573);(145.0654,0.140566);(147.0439,0.578837);(148.0474,0.103831);(153.0182,4.871148);(154.0216,0.305314);(157.0645,0.285039);(164.0556,0.112795);(165.0183,3.039377);(166.0213,0.121006);(171.0446,0.226716);(181.9727,0.208193);(183.0289,1.323277);(185.0605,0.448196);(189.0547,0.228688);(197.0599,0.245271);(203.0693,0.180126);(213.0546,1.73412);(214.0581,0.256702);(231.0656,1.511498);(241.0499,1.486806);(258.0525,1.78507);(259.06,1.136168);(263.0557,0.134036);(269.0451,0.428575);(287.0553,100.0)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(106.735619,0.053581);(107.3097,0.047131);(111.007378,0.327215);(121.028152,1.260916);(124.270256,0.054647);(129.069489,0.095974);(133.028168,0.991747);(137.023239,0.425197);(141.069382,0.083242);(145.064575,0.416215);(147.044052,0.464525);(149.030182,0.051329);(153.018066,2.559685);(157.064484,0.414614);(165.018143,4.570667);(169.064209,0.22382);(171.043945,0.282649);(175.039108,0.137934);(177.05603,0.083575);(185.059692,0.592142);(189.054428,0.307927);(192.799942,0.057336);(194.021423,0.062383);(197.059418,0.933221);(199.03862,0.170045);(203.070526,0.232583);(205.057449,0.05322);(213.054657,4.371605);(214.056732,0.073569);(216.896057,0.053742);(217.052429,0.067887);(225.051758,0.09237);(227.025009,0.066275);(228.642319,0.057664);(231.065277,1.443795);(239.75856,0.060601);(241.04953,4.851813);(242.052643,0.092268);(243.065277,0.281111);(245.04454,0.172222);(258.05246,2.159058);(259.059998,0.89857);(269.044861,1.119693);(286.137665,0.07267);(287.055176,100.0);(287.596283,0.271852);(288.057953,38.749064);(288.274567,0.149195);(288.599152,0.062891);(288.613892,0.060859)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(75.16407,0.0957);(84.387077,0.09523);(85.816673,0.083657);(97.108566,0.086911);(103.054893,0.182042);(105.03299,0.576032);(107.049049,0.199847);(111.007195,1.1101);(121.02803,4.556828);(127.038345,0.192867);(129.069397,0.405055);(133.028015,3.529666);(134.910172,0.089178);(135.043152,0.205854);(137.023041,1.690003);(141.069672,0.32653);(145.064407,1.803717);(147.043777,1.903548);(147.16539,0.079193);(153.017853,9.111898);(157.064484,1.900451);(161.023239,0.234908);(164.857788,0.123048);(165.017899,16.461155);(165.260071,0.094477);(166.023865,0.128199);(169.064468,0.948764);(171.043701,1.220785);(173.022583,0.130703);(175.038696,0.671313);(177.054153,0.197519);(183.028275,0.377931);(185.059296,2.801157);(189.054199,0.934265);(194.020813,0.174573);(197.059509,3.301367);(199.038727,0.71718);(201.054703,0.208602);(203.033539,0.996937);(213.054321,17.267815);(217.048813,0.210099);(220.625671,0.110458);(223.040909,0.107913);(223.908463,0.082893);(225.054062,0.400424);(229.049881,0.160038);(231.065018,5.150592);(240.526062,0.096939);(241.049194,17.531694);(241.471512,0.095828);(243.065063,1.036307);(244.177734,0.108838);(245.043564,0.601873);(258.052002,8.023689);(259.059875,3.286872);(269.044434,3.474085);(286.37384,0.118757);(286.504028,0.57198);(286.697906,0.212666);(286.842499,0.651633);(287.054688,100.0);(287.265503,0.386249);(287.41571,0.198282);(287.608673,0.356847);(288.05777,20.228164)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(78.284004,0.112394);(80.036087,0.118597);(86.81057,0.129805);(88.082375,0.135383);(88.744484,0.107553);(92.331909,0.115298);(93.610199,0.138649);(94.39579,0.103997);(100.85656,0.114752);(103.053963,0.258985);(105.033188,0.583853);(107.049614,0.203782);(111.007256,1.678316);(118.115791,0.128507);(121.028091,6.781572);(127.038567,0.345038);(129.06958,0.608622);(133.028152,5.135217);(135.043594,0.355885);(137.023087,2.469292);(139.313629,0.12975);(141.069382,0.44604);(145.064545,2.485005);(147.043732,2.422099);(153.01799,12.715947);(154.018326,0.11574);(157.064667,2.284586);(161.022736,0.348001);(165.018036,22.917349);(169.064468,1.199159);(169.484238,0.128102);(171.043823,1.644201);(173.058456,0.205771);(175.038925,0.864131);(177.054825,0.323578);(183.028809,0.611339);(185.059494,3.624303);(188.447784,0.177286);(189.054504,1.439883);(194.020996,0.273316);(197.059647,4.594067);(199.03894,1.020479);(201.054169,0.300116);(203.070419,1.469991);(212.924042,0.161022);(213.054489,23.150543);(214.057709,0.541557);(215.068405,0.152577);(217.048264,0.269108);(225.054993,0.600021);(227.03418,0.143646);(229.049088,0.186152);(231.065216,7.781682);(232.068558,0.198269);(240.891937,0.221675);(241.049377,24.858787);(242.052933,0.596145);(243.065231,1.400529);(245.044189,0.925583);(258.052307,11.64349);(259.059662,4.885224);(269.044556,5.366079);(270.04895,0.169167);(286.696381,0.148746);(286.849426,0.270029);(287.055145,49.262479);(287.267853,0.186762);(287.705994,0.268713);(287.850067,0.563227);(288.058075,100.0);(288.269775,0.399812);(288.609863,0.218529)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(68.9872,12.626473);(69.0266,3.686764);(77.0303,4.698545);(79.0464,4.851005);(93.0279,9.77131);(105.0296,7.345807);(107.0454,12.085932);(109.0248,8.503119);(111.0043,7.505198);(115.0513,4.033264);(121.026,49.306999);(121.0823,5.356895);(127.0525,3.596674);(128.0606,4.719335);(129.0677,5.502426);(133.0267,5.024255);(137.022,18.468468);(145.0639,4.733195);(147.0436,11.794872);(153.0179,100.0);(153.0811,9.72973);(157.0646,18.510049);(161.0599,4.067914);(165.0185,25.537076);(171.0443,7.858628);(185.0602,10.0);(213.0555,26.749827);(229.05,8.198198);(231.0657,5.564796);(241.0503,7.519058);(258.053,14.261954);(259.0598,4.234234);(287.0556,32.480942)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(68.9875,2.631579);(77.0304,1.268926);(93.0281,1.708724);(105.0297,1.041817);(107.0456,1.575342);(111.0045,1.196828);(115.0519,1.204037);(121.0263,6.459986);(128.0604,1.557318);(137.0226,2.112473);(147.0437,1.49964);(153.0182,11.47801);(157.0649,2.007931);(165.0187,4.470079);(185.0607,1.056236);(213.0558,3.52199);(231.0665,1.085076);(241.0511,1.542898);(258.0534,2.364816);(287.0556,100.0);(287.1405,5.609229);(288.0591,6.535689)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(69.0622,6.086);(91.0421,5.857);(99.4978,12.4);(100.4944,4.882);(105.0564,14.95);(111.1031,11.06);(119.0337,9.155);(147.0268,12.97);(167.0118,30.66);(287.0555,24.97)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(93.000001,0.034409);(97.000001,0.023758);(99.938392,0.023653);(102.96341,0.026849);(104.963815,0.044104);(105.943971,0.061524);(106.750001,0.023889);(107.000001,0.031689);(108.900032,0.071178);(110.929511,0.345318);(111.989533,0.030072);(114.932776,0.016837);(116.916668,0.026707);(118.009912,0.047719);(120.944399,0.776473);(122.000002,0.031317);(122.920609,0.020702);(125.100139,0.018192);(125.969362,0.016578);(126.833335,0.035098);(127.083335,0.038331);(128.083335,0.022471);(128.986765,0.056154);(129.916669,0.019272);(130.166669,0.019017);(132.957848,0.497553);(133.952909,0.06225);(134.96181,0.053561);(135.958138,0.018215);(136.938111,0.232695);(137.987608,0.024713);(140.916669,0.024365);(141.166669,0.026262);(142.166669,0.019042);(144.982207,0.644459);(146.053675,0.0387);(146.992699,0.292186);(148.166669,0.029186);(148.976518,0.028743);(150.016959,0.020944);(152.007213,0.039366);(152.966698,1.224073);(153.981756,0.090865);(155.083336,0.02315);(156.083336,0.039492);(157.049076,0.179814);(158.037984,0.036356);(159.000003,0.025271);(161.037292,0.088311);(162.833336,0.016984);(163.083336,0.017006);(164.250003,0.017595);(164.983125,2.967784);(165.989921,0.193815);(167.090282,0.029759);(169.053212,0.145153);(169.991738,0.035726);(171.053459,0.164247);(171.833337,0.027977);(172.083337,0.049973);(173.002802,0.091001);(174.16667,0.025828);(175.046596,0.125293);(176.102451,0.018216);(176.999043,0.466655);(178.083337,0.02226);(181.16667,0.016267);(182.000003,0.017885);(183.015065,0.040246);(184.171372,0.054116);(185.034274,0.24067);(186.067617,0.066783);(186.991417,0.037356);(187.250004,0.017156);(188.0854,0.032762);(189.047329,0.282442);(190.024452,0.049633);(191.054338,0.057667);(192.833337,0.024206);(193.993842,0.037109);(194.786714,0.019782);(195.083337,0.019864);(197.035739,0.477921);(198.061372,0.082223);(199.043361,0.109013);(200.09509,0.059483);(201.054389,0.076111);(202.038593,0.048864);(203.02002,0.279454);(204.083337,0.048099);(205.118708,0.080533);(206.982032,1.120528);(207.916611,0.097219);(208.971885,2.573609);(211.000004,0.020821);(211.055504,0.021456);(213.036823,2.344855);(214.062712,0.444892);(215.068749,0.407547);(216.000005,0.036685);(216.250005,0.028685);(217.003836,0.077811);(217.583338,0.026861);(219.15,0.055782);(222.666671,0.022623);(223.13066,0.059717);(224.232153,0.029904);(225.029867,0.119751);(225.833338,0.043521);(226.250005,0.154852);(226.583338,0.093363);(227.000005,0.178433);(228.098956,0.056742);(229.077817,0.191356);(230.133948,0.05724);(231.049986,1.136575);(232.090496,0.135371);(237.333338,0.038536);(238.500005,0.017256);(239.083339,0.017669);(240.250005,0.048427);(241.045983,3.189079);(242.061692,0.587212);(243.01532,0.387267);(244.101467,0.080075);(245.034183,0.154083);(245.333339,0.069616);(245.916672,0.036149);(246.166672,0.039018);(247.520653,0.115454);(248.078655,0.257991);(248.666672,0.041294);(251.095987,0.035165);(251.923917,0.025089);(253.916672,0.03613);(254.250006,0.050068);(255.071263,0.176896);(256.283785,0.059815);(256.583339,0.027647);(257.092418,0.153736);(258.067177,1.11483);(259.09275,1.017144);(260.093202,0.155511);(263.122181,0.020765);(268.300211,1.001679);(269.090649,1.607124);(270.044272,0.421535);(270.583339,0.022581);(271.000006,0.036141);(271.250006,0.065837);(272.103081,0.100312);(277.916673,0.029631);(286.166673,0.044885);(286.243832,0.054367);(287.050396,0.31921);(288.069336,0.046658)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(90.970605,0.465144);(122.021271,1.18627);(136.032695,0.117679);(182.924958,0.227663);(190.158872,0.111805);(205.061369,0.103447);(212.240749,4.564414);(215.140195,0.325238);(218.084013,0.139392);(219.147787,0.088101);(224.008395,0.109554);(225.000005,0.281209);(226.020526,14.390724);(226.966655,17.536815);(230.129744,0.093299);(232.083338,0.120108);(237.116984,0.108768);(243.250005,0.155427);(243.850329,0.331665);(244.819718,0.61429);(246.11556,0.10555);(247.122185,0.093012);(248.119884,0.105455);(249.054772,0.156611);(256.270253,3.118572);(258.102226,0.092842);(259.103934,0.141309);(260.166672,0.161511);(260.927989,1.359044);(262.151821,0.118562);(264.583339,0.234521);(265.083339,0.427612);(265.583339,0.171927);(272.14003,0.184401);(273.171631,0.135238);(275.142993,0.09797);(276.184574,0.150958);(277.073442,0.112506);(286.232931,1.555549);(287.165132,0.310651);(287.920949,0.132081);(289.077788,0.190404);(295.166673,0.131507);(304.307975,0.124425)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(93.01427,0.830589);(103.037449,0.563841);(105.024208,2.466787);(107.044209,1.219544);(109.012129,2.014472);(111.004105,10.103766);(121.034545,25.456795);(122.045169,0.775272);(127.058591,1.535586);(129.069346,1.508732);(133.026979,19.911486);(134.032747,0.706603);(135.070695,1.326981);(137.038329,7.386022);(141.099413,1.125278);(145.096656,7.532107);(147.063545,8.246936);(149.06807,0.701109);(153.041436,41.688496);(154.040879,1.193044);(157.085178,6.711428);(161.073689,2.28571);(165.048041,85.644832);(166.054538,3.187753);(169.092872,3.902121);(171.077806,4.682652);(173.062743,1.530425);(175.080171,3.233789);(177.070858,1.752818);(183.056024,1.177527);(185.094352,9.088587);(189.08826,5.707254);(194.068635,0.919832);(197.093813,16.853681);(198.106591,0.95985);(199.079199,3.286074);(201.098619,1.271244);(203.094154,10.005096);(213.0951,75.638308);(214.102385,4.166517);(215.140789,0.908949);(217.092701,1.087796);(225.099755,3.132497);(227.084716,0.661004);(229.108165,0.552792);(231.098808,31.568088);(232.107626,2.110112);(241.089649,100.0);(242.096074,6.847611);(243.114076,4.834606);(245.089955,3.765886);(258.09637,34.939301);(259.11068,20.232368);(260.104501,1.112294);(268.333339,0.584273);(269.085465,30.960298);(270.079669,4.283331);(287.09996,15.659682);(288.115832,0.966579)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(95.015373,1.906694);(96.018097,1.622718);(96.338219,1.501014);(96.94281,2.028398);(97.0271,1.460446);(97.511955,0.567951);(99.946404,1.906694);(101.396225,0.770791);(102.630539,1.947262);(102.767693,0.689655);(103.232285,1.338742);(103.331406,1.054767);(104.995071,1.37931);(105.03212,4.989858);(107.013535,1.825558);(107.048637,4.219067);(107.535088,1.460446);(107.830437,1.460446);(108.153099,2.271805);(109.011726,1.947262);(109.027893,3.610548);(109.99688,1.298174);(110.120079,1.744422);(110.400131,1.703854);(111.003311,1.78499);(111.043091,1.176471);(111.399925,1.866126);(112.060532,1.825558);(112.778046,0.40568);(113.021049,2.190669);(113.438477,0.770791);(114.8675,1.58215);(115.056557,2.920892);(115.275299,0.40568);(115.300941,1.541582);(115.333,0.689655);(117.075172,2.312373);(117.469612,0.689655);(117.555916,2.231237);(118.041969,1.419878);(119.045097,2.028398);(120.852386,1.014199);(120.953056,1.460446);(121.028183,7.221095);(121.051582,0.933063);(121.38028,1.622718);(122.031425,3.245436);(122.080795,1.825558);(122.58271,1.541582);(122.681892,0.811359);(123.047073,1.622718);(124.889671,1.37931);(125.023163,0.851927);(125.727402,1.58215);(127.048294,1.98783);(128.062897,9.614604);(128.26416,1.298174);(129.024933,1.257606);(129.068329,3.894523);(129.217178,1.054767);(130.069275,1.744422);(130.325897,0.486815);(130.355438,0.567951);(131.048508,1.906694);(131.069962,1.501014);(131.464462,1.176471);(131.585449,1.663286);(131.731613,0.446247);(132.175156,1.58215);(133.030945,2.190669);(134.032822,4.219067);(134.875687,0.973631);(135.045181,3.448276);(136.235474,1.78499);(137.023697,16.592292);(137.044388,2.231237);(137.112701,1.217039);(137.355179,0.283976);(137.616562,2.271805);(137.934296,1.541582);(138.030151,1.419878);(139.053787,1.541582);(139.117294,0.649087);(139.56839,1.217039);(139.883652,1.095335);(141.066269,2.839757);(143.052246,1.58215);(143.379761,2.109533);(143.875916,1.054767);(144.052628,1.460446);(145.021362,1.298174);(145.067459,1.622718);(145.095352,2.068966);(145.287918,1.257606);(145.681625,2.393509);(145.748901,1.866126);(146.032578,1.866126);(146.119171,0.770791);(146.721283,1.947262);(147.043701,7.058824);(147.227997,1.78499);(147.520355,1.338742);(148.869934,1.419878);(149.057938,2.393509);(149.994003,0.20284);(151.061127,1.744422);(152.041214,1.37931);(152.068222,2.393509);(152.751312,1.298174);(152.802979,1.866126);(152.979919,1.622718);(153.017578,38.458418);(153.050476,2.109533);(153.125443,0.770791);(153.184555,0.567951);(153.310226,0.283976);(153.364441,1.338742);(153.431,0.608519);(153.551834,0.851927);(154.019501,3.204868);(154.072662,1.37931);(154.86673,1.338742);(154.893982,0.811359);(154.963348,0.730223);(155.06395,1.419878);(156.082779,0.486815);(157.019135,1.58215);(157.065033,10.344828);(157.091476,0.730223);(158.06839,3.042596);(159.063385,1.257606);(159.108566,0.933063);(159.689041,2.068966);(160.049362,2.068966);(160.084167,1.663286);(161.024857,1.744422);(161.060226,3.813387);(163.038376,2.271805);(163.117813,1.663286);(163.181366,1.135903);(165.020386,16.511156);(165.956772,1.257606);(166.023514,3.204868);(167.019989,1.217039);(167.081726,0.851927);(167.400894,0.365112);(168.05304,2.028398);(169.060822,1.460446);(169.210953,0.851927);(170.575531,0.608519);(171.043488,5.15213);(171.747299,1.176471);(171.838608,1.622718);(172.045441,2.271805);(172.823639,0.770791);(172.878586,0.527383);(173.64621,1.541582);(174.026718,0.851927);(175.007462,2.028398);(175.042435,1.744422);(175.078568,1.054767);(175.149673,1.703854);(176.181122,1.176471);(178.308914,0.40568);(179.554901,1.663286);(179.85907,1.947262);(181.016724,1.257606);(182.41188,1.947262);(182.772278,1.37931);(183.024292,2.109533);(183.65593,2.312373);(184.053574,3.488844);(185.058929,9.208925);(185.218277,0.689655);(186.061249,1.663286);(186.50444,1.663286);(187.187317,1.257606);(189.055283,4.503043);(189.717407,1.501014);(190.062988,1.338742);(193.014618,1.541582);(194.137405,2.312373);(195.040558,3.326572);(197.056839,3.286004);(199.039307,3.1643);(199.445053,1.622718);(200.047028,1.217039);(200.427246,1.703854);(201.048889,1.663286);(202.06488,1.176471);(202.855026,1.37931);(203.036484,0.770791);(203.067688,3.975659);(203.096054,1.257606);(204.078644,1.135903);(204.986679,1.501014);(205.052216,2.271805);(206.019547,2.312373);(207.909348,1.460446);(209.963486,1.217039);(211.057953,1.744422);(212.053711,1.054767);(213.056,14.685598);(213.133377,0.446247);(213.78183,0.283976);(214.061371,2.352941);(216.043137,1.257606);(216.438248,1.338742);(216.88356,0.527383);(216.992035,1.541582);(217.046448,1.501014);(217.071198,1.866126);(217.370407,1.014199);(218.045853,1.257606);(221.124969,0.892495);(221.34996,1.58215);(223.039719,1.825558);(223.505005,1.744422);(224.049866,1.095335);(225.052002,2.393509);(225.47319,0.567951);(225.661514,1.217039);(228.032715,1.866126);(228.863007,1.825558);(229.055664,2.880325);(229.480682,1.622718);(229.531937,0.324544);(229.562103,0.933063);(230.054214,1.622718);(230.775986,1.947262);(231.06488,5.720081);(231.83847,0.486815);(232.044601,1.58215);(232.070694,1.744422);(234.543488,1.501014);(237.055771,1.703854);(237.086426,1.703854);(240.038223,1.703854);(240.673264,1.338742);(241.04808,4.827586);(241.111908,1.298174);(241.807785,1.338742);(242.054947,2.231237);(243.052689,2.555781);(244.072708,2.190669);(245.042862,3.1643);(246.044678,1.663286);(246.272644,1.825558);(251.033707,1.541582);(252.04068,0.770791);(252.397858,1.703854);(253.046494,1.501014);(255.461639,1.460446);(255.773499,1.58215);(255.840347,0.527383);(256.066437,1.663286);(257.04834,2.352941);(258.050262,4.908722);(258.403107,0.770791);(258.486298,0.649087);(258.598328,1.866126);(259.06308,3.894523);(260.066284,1.744422);(260.20755,0.770791);(260.570465,0.527383);(263.062347,1.501014);(265.1073,2.474645);(266.314209,1.663286);(268.400269,0.892495);(269.056519,2.758621);(270.052734,1.095335);(270.275208,1.541582);(272.028625,2.880325);(272.202637,1.095335);(272.414459,0.20284);(272.494965,2.555781);(273.547333,1.744422);(273.870056,1.541582);(274.499512,1.338742);(274.967987,0.527383);(277.455475,2.028398);(281.157684,1.622718);(282.889069,1.014199);(283.471863,0.446247);(284.132385,1.703854);(285.049042,0.933063);(286.0513,1.338742);(286.77887,1.866126);(287.055634,100.0);(287.143005,1.217039);(287.180115,0.689655);(287.237457,0.689655);(287.426727,0.851927);(287.456757,0.446247);(287.57489,0.446247);(287.643768,1.501014);(287.77066,0.365112);(287.814575,0.40568);(287.868591,1.135903);(287.91925,0.770791);(288.056976,14.198783);(288.456482,0.446247);(288.537628,0.40568);(288.605225,0.933063);(288.82843,0.527383);(289.026947,1.37931);(289.051727,0.973631);(289.075409,1.825558);(289.23111,0.527383);(289.315735,0.608519);(289.529053,1.014199);(290.053009,1.703854);(290.240692,1.176471);(290.936218,0.608519);(291.167114,0.527383);(292.462524,0.567951);(292.598694,0.851927);(294.914948,0.689655);(300.384979,0.811359);(306.068909,1.460446);(313.305115,0.811359);(320.112854,1.298174);(337.079468,0.689655);(342.918335,0.973631);(347.103241,0.973631);(365.826752,0.649087);(369.008514,1.176471);(378.439026,0.851927);(399.138794,0.689655);(409.955231,0.40568);(413.140991,2.068966);(453.047302,1.054767);(936.94397,1.58215);(987.034668,2.758621);(1016.045959,1.663286);(1022.094604,1.419878);(1025.807617,1.825558);(1071.130005,1.501014);(1122.760864,0.486815);(1127.44751,1.78499);(1129.466553,1.095335);(1131.387207,1.744422);(1143.550293,1.703854);(1152.586914,0.770791);(1165.032959,1.541582);(1173.806152,1.338742);(1176.569458,1.37931);(1182.865479,1.825558);(1207.525879,1.37931);(1243.786011,1.906694);(1254.196167,1.622718);(1254.534546,1.338742);(1256.459717,0.20284);(1259.240967,0.324544);(1259.622314,0.608519);(1270.368042,1.419878);(1291.652954,2.555781);(1300.265259,1.906694);(1311.341064,1.58215);(1314.341064,2.231237);(1322.514526,0.608519);(1323.890137,1.257606);(1338.347656,2.150101);(1345.887085,1.419878);(1357.514404,2.068966);(1363.159424,1.460446);(1373.953369,2.150101);(1390.039673,1.663286);(1402.592651,1.825558);(1412.838013,0.770791);(1424.930786,1.419878);(1427.742065,1.622718);(1456.067749,1.744422);(1467.962402,1.78499);(1476.30896,0.446247);(1482.663086,1.78499);(1484.817261,1.825558);(1492.150513,1.37931);(1493.065552,1.419878);(1493.450073,1.419878);(1493.56543,1.176471);(1497.775879,1.419878);(1502.856201,2.028398)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(103.0495,0.127648);(105.030922,0.087295);(107.045807,0.292354);(109.026535,0.160589);(111.008286,0.068353);(115.052734,0.253648);(117.067116,0.125177);(119.048119,0.098);(120.0494,0.050236);(121.026627,2.837072);(122.030746,0.152354);(123.043381,0.099648);(125.019173,0.047765);(127.044418,0.114471);(128.059128,0.228942);(129.067886,0.291531);(130.066727,0.034588);(131.046921,0.238825);(133.025421,0.361531);(134.032623,0.114471);(135.041412,0.269295);(136.016022,0.129295);(137.020782,1.023652);(138.024109,0.201766);(139.052765,0.188589);(140.059082,0.047765);(141.067307,0.259413);(142.067139,0.077412);(143.046387,0.063412);(144.055313,0.036235);(145.057129,0.285766);(146.06221,0.049412);(147.041626,0.82271);(148.044128,0.088942);(151.038818,0.08153);(153.015961,11.189347);(154.019257,0.925651);(155.055038,0.17706);(156.059967,0.079883);(157.062347,1.255888);(158.06456,0.243766);(160.049713,0.079059);(161.054092,0.449649);(162.032608,0.052706);(163.036072,0.158118);(165.015686,3.150838);(166.020691,0.378825);(167.049683,0.082353);(168.054825,0.12353);(169.063492,0.083177);(170.06308,0.037883);(171.043015,0.883651);(172.044815,0.153177);(173.054184,0.111177);(175.043137,0.107883);(179.032593,0.089765);(181.035309,0.042);(183.027191,0.805416);(184.046387,0.200119);(185.059006,1.042593);(186.061584,0.141648);(187.05928,0.046118);(188.04364,0.094706);(189.054138,0.366472);(190.061646,0.056824);(191.036911,0.059294);(193.008682,0.065883);(194.016602,0.062589);(195.043121,0.070824);(197.057541,0.243766);(198.060654,0.036235);(199.033493,0.168824);(200.041016,0.042);(201.054184,0.206707);(202.058121,0.092236);(203.063477,0.30306);(204.065033,0.084);(207.035889,0.034588);(212.043503,0.079059);(213.05397,2.80166);(214.055145,0.477649);(215.062912,0.056824);(216.040344,0.234707);(217.049789,0.170471);(218.055054,0.065059);(219.059372,0.07);(223.033325,0.131765);(224.04361,0.064236);(225.055893,0.037059);(227.036713,0.043647);(229.04718,0.53365);(230.054901,0.162236);(231.064438,1.525184);(232.066498,0.315413);(240.03862,0.122706);(241.04747,1.93448);(242.054764,0.549297);(243.060699,0.226472);(245.042603,0.262707);(257.036316,0.102118);(258.051361,2.238363);(259.059723,1.409889);(260.063019,0.196824);(261.065704,0.046118);(263.052277,0.069177);(269.045135,0.418355);(270.051453,0.108706);(285.037689,0.072471);(285.600861,0.087295);(285.668243,0.10953);(285.785248,0.077412);(286.044006,0.226472);(286.171906,0.068353);(286.43219,0.034588);(286.929077,0.234707);(287.056549,100.0);(287.182007,0.112001);(287.304504,0.125177);(287.471069,0.092236);(287.676849,0.121883);(287.855194,0.105412);(288.058563,24.39635);(289.059631,2.141187);(290.062927,0.108706)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(77.036232,0.209657);(77.462715,0.098277);(78.044029,0.132128);(79.055374,0.573282);(81.034668,0.398567);(86.16526,0.307934);(91.056801,0.609317);(93.071556,0.408395);(94.041725,0.215117);(95.047188,0.17799);(105.039215,1.942606);(106.042892,0.210749);(106.888641,0.108105);(107.049034,1.097425);(108.054199,0.185634);(109.029671,0.704318);(110.030548,0.135404);(111.009285,0.541615);(111.047745,0.333049);(112.009674,0.080805);(115.054253,0.547075);(117.077362,0.418223);(119.026245,0.422591);(119.051231,0.220577);(119.087181,0.434602);(119.661949,0.13868);(120.052681,0.156151);(121.030128,6.002533);(122.01178,0.204198);(122.031036,0.536155);(123.032661,0.158335);(124.01519,0.17799);(125.020966,0.44443);(125.061821,0.222761);(127.042747,0.288279);(127.054436,0.294831);(128.062408,0.392016);(129.034927,0.18891);(129.069351,0.339601);(130.072388,0.290463);(131.047989,0.193278);(133.02771,0.32213);(134.073669,0.172531);(135.044022,0.524143);(135.079254,0.191094);(137.023331,2.273472);(138.022003,0.309026);(138.112823,0.164887);(139.05304,1.226277);(141.049683,0.196554);(141.068451,0.252244);(141.399658,0.134312);(143.032379,0.152875);(145.024277,0.149599);(145.065979,0.304658);(146.099411,0.395291);(147.044708,3.131757);(147.493362,0.340693);(149.030655,0.330865);(149.058319,0.113564);(151.042923,0.31667);(153.018478,18.541571);(153.522079,0.200922);(153.999802,0.222761);(154.020599,1.405359);(155.032639,0.384372);(155.058899,1.007884);(157.064468,2.385944);(157.093719,0.303566);(157.174805,0.211841);(158.067596,0.212933);(159.04245,0.197646);(159.320999,0.193278);(159.459122,0.137588);(161.013138,0.168163);(161.056915,0.198738);(162.067627,0.162703);(162.950638,0.100461);(163.038788,0.610409);(164.993576,0.146323);(165.020096,2.908996);(166.024567,0.262072);(169.059875,0.198738);(170.015076,0.163795);(171.044418,1.120356);(172.048599,0.13868);(175.004028,0.214025);(175.045456,0.241324);(176.048752,0.207473);(177.054291,0.25006);(178.604614,0.102645);(179.031525,0.209657);(180.036987,0.168163);(181.004395,0.219485);(183.030045,1.096333);(185.061005,0.982769);(186.068466,0.432418);(189.054825,0.282819);(195.049683,0.597305);(195.555115,0.235865);(197.054657,0.357073);(199.016113,0.280635);(201.056763,0.203106);(202.068649,0.170347);(203.033005,0.167071);(203.076187,0.103737);(213.056549,1.831226);(214.056183,0.156151);(215.739334,0.121208);(216.044891,0.205289);(217.054367,0.134312);(218.031952,0.136496);(219.068542,0.172531);(229.050415,0.554718);(230.051361,0.147415);(231.065781,0.612593);(232.069031,0.612593);(241.048721,0.829894);(242.059708,0.267532);(243.065582,0.43351);(245.066086,0.196554);(257.038269,0.146323);(258.020081,0.552534);(258.054047,2.755029);(259.061432,1.916399);(260.061646,0.092817);(261.110962,0.137588);(263.053253,0.131036);(264.060211,0.158335);(269.040131,0.176898);(285.032471,0.402935);(286.229156,0.549259);(286.309021,0.134312);(286.776703,0.093909);(286.835846,0.238048);(287.056091,100.0);(287.166168,0.231497);(287.218689,0.263164);(287.358887,0.107013);(287.729706,0.145231);(288.004761,0.364716);(288.059875,9.140842);(289.849548,0.110288);(289.871429,0.179082);(289.913605,0.141955);(290.065063,0.23914);(290.111969,0.126668);(290.973785,0.168163);(302.749756,0.103737);(1779.462646,0.193278);(1987.002808,0.234773)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(133.0284,0.5079534822);(137.0234,0.4054716393);(153.0183,2.330347993);(165.0183,5.667691485);(169.0649,0.4322060331);(185.0595,0.8956021922);(189.0546,0.4723076238);(203.0336,0.6371697188);(203.07,0.6416254511);(213.0544,11.46459921);(231.0651,5.186472397);(241.0495,17.23922827);(243.0652,0.7975760816);(245.0447,0.4723076238);(258.0523,5.538475248);(259.0602,2.753642561);(287.055,44.557323)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(121.1279,4.716892547);(133.0875,2.457040909);(153.1511,6.767034962);(165.1184,11.33994804);(213.1675,9.50264484);(231.1699,5.684058969);(241.0243,13.65300948);(258.0882,7.224013271);(259.0882,3.220758083);(269.1795,4.134714702);(287.0662,31.29988419)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.0257,1.21);(153.0176,3.24);(165.0191,1.28);(287.055,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.01129,1.2);(287.05499,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.0163,3.0);(68.99812,6.4);(81.03449,1.3);(85.02764,1.4);(93.0333,7.6);(94.5939,1.1);(103.05336,2.6);(105.03275,8.3);(107.05051,5.8);(109.02813,5.0);(111.007,7.0);(115.05394,1.9);(121.02972,45.7);(122.02901,3.9);(123.03357,1.2);(124.24047,1.2);(127.05093,1.3);(128.05186,1.8);(129.07069,3.6);(133.02969,8.8);(135.03951,2.3);(137.02362,14.6);(138.02745,2.0);(142.07367,1.7);(143.04843,1.6);(145.06291,8.2);(147.04727,9.3);(153.01831,92.3);(154.02303,10.1);(157.06429,12.6);(158.0675,1.1);(160.04652,1.8);(161.05879,2.5);(162.05992,1.4);(165.017,36.9);(167.04869,1.7);(169.06053,1.8);(171.04417,7.2);(173.06264,2.8);(175.03751,2.1);(177.02115,1.2);(184.0564,1.6);(185.05835,9.3);(186.08788,1.1);(188.0654,1.6);(189.06277,1.5);(195.0432,1.4);(197.06516,1.6);(201.05273,2.4);(202.06549,1.3);(203.07167,3.8);(212.02275,1.3);(213.05382,18.3);(214.0656,3.5);(215.04744,1.4);(216.04979,1.1);(219.07372,1.4);(223.04182,1.2);(229.05289,5.0);(230.05916,2.5);(231.06418,5.4);(232.06158,1.2);(241.04895,13.8);(242.0546,1.2);(254.02298,1.2);(257.03821,2.4);(258.05173,16.2);(259.06042,11.2);(260.06525,3.9);(269.05206,1.1);(270.05106,1.8);(287.05655,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.0403,1.01);(43.0173,2.43);(53.0384,1.8);(55.0206,1.76);(61.0119,2.75);(65.0394,5.08);(67.0193,5.9);(68.9983,34.71);(77.0383,7.28);(79.0525,5.48);(81.0363,3.56);(89.0355,2.55);(91.054,2.08);(93.0339,15.99);(97.0311,1.43);(103.054,1.68);(105.0312,3.68);(106.0382,1.25);(107.0497,13.48);(108.0154,1.08);(109.028,6.26);(111.0068,4.52);(115.0543,2.84);(117.0323,2.32);(119.0487,1.96);(121.0283,40.63);(125.0244,1.21);(127.0519,4.17);(128.0635,2.54);(129.0684,4.25);(131.0472,1.11);(133.025,2.8);(135.0461,6.63);(136.0115,1.64);(137.0222,14.99);(139.0534,3.22);(141.066,1.38);(143.0455,1.92);(145.0248,1.8);(147.0442,5.92);(153.0181,100.0);(157.0617,8.57);(160.0476,1.08);(161.0192,2.37);(165.0146,9.34);(167.0493,1.42);(168.0573,1.06);(171.0451,4.18);(179.0301,1.18);(184.0494,1.52);(185.0613,3.21);(201.0581,1.42);(213.0529,15.86);(216.0396,2.05);(229.0484,3.48);(231.0663,3.11);(241.05,3.18);(258.0503,6.97);(259.0576,2.14);(269.0497,1.65);(287.0562,17.14)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.02326,1.6);(121.03032,2.4);(137.02362,1.9);(153.01697,7.3);(157.06284,1.4);(165.02155,2.4);(213.0545,2.4);(258.05362,1.5);(287.05371,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(117.03276,1.9);(143.04832,1.5);(151.00256,1.6);(154.04031,1.4);(159.04097,1.2);(167.05074,1.4);(173.02415,1.0);(185.06009,2.3);(187.03825,1.7);(211.03616,1.5);(229.04774,2.1);(239.03564,1.8);(240.04004,1.0);(257.04492,1.5);(285.03809,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02079,3.5);(65.03943,8.6);(67.02414,6.8);(68.99523,35.2);(77.03919,33.4);(79.0546,17.4);(81.03197,11.9);(83.01368,10.5);(85.02765,3.5);(89.03461,8.0);(91.04527,6.6);(93.03282,57.0);(94.04017,5.1);(95.03648,5.1);(102.04266,4.1);(103.04807,11.7);(105.03222,15.2);(107.04905,12.3);(108.01901,5.5);(109.02205,6.4);(113.03097,3.9);(114.04923,3.7);(115.05335,62.1);(116.05207,4.7);(118.03867,6.2);(119.04912,5.1);(120.02108,3.7);(121.03043,56.2);(127.0531,12.1);(128.0625,39.6);(129.06239,6.4);(131.04691,12.3);(133.03319,6.8);(134.02957,5.7);(137.01865,6.2);(139.0564,25.2);(140.06204,7.0);(141.06136,10.0);(144.06375,3.9);(145.02603,9.0);(145.91254,3.5);(147.04352,7.4);(152.00287,4.5);(153.01648,100.0);(154.02472,3.9);(157.06732,10.0);(158.08511,7.4);(161.05399,5.7);(163.03613,4.1);(165.02762,6.8);(168.0612,6.4);(169.05283,12.5);(171.03571,4.5);(172.05168,5.3);(184.04578,4.1);(185.07239,3.9);(187.02658,5.5);(207.28711,4.1);(211.03433,3.9);(213.04993,4.7);(217.04906,4.1);(226.01849,3.9);(229.04762,3.9);(256.04056,6.1);(285.03793,5.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(147.0451,5.27);(153.0194,84.72);(154.0226,4.64);(157.066,10.11);(158.0698,1.14);(165.0195,24.57);(167.0498,1.32);(169.0663,1.22);(171.0457,5.58);(172.0494,1.19);(173.061,1.09);(184.0532,1.71);(185.0607,7.24);(186.064,1.27);(189.0573,1.01);(194.0224,1.04);(197.0594,1.9);(201.0549,1.89);(202.0626,1.39);(203.0713,2.3);(212.0461,1.37);(213.0545,34.17);(214.0574,3.95);(216.0412,1.01);(217.0498,1.32);(223.0393,1.0);(229.0499,7.55);(230.0547,1.1);(231.0649,5.7);(241.0492,7.34);(242.055,2.65);(243.0651,1.64);(257.0452,1.32);(258.0523,16.71);(259.0592,7.56);(269.0437,2.71);(285.0386,1.06);(287.0545,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.02863,3.5);(137.02419,1.6);(153.01649,6.9);(165.01711,4.0);(213.0524,1.1);(287.05423,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.0549,100.0);(289.0606,1.09)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.03204,1.4);(143.04915,1.1);(145.02892,1.4);(151.00232,4.2);(155.04703,1.2);(159.04361,2.0);(171.04726,1.5);(185.06113,2.4);(187.03716,1.7);(211.0394,1.4);(227.03203,1.9);(229.05266,2.2);(239.02945,1.4);(255.02954,1.1);(257.04749,1.2);(285.03909,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.00667,4.2);(68.02043,7.0);(77.03919,8.2);(79.02042,4.4);(83.01196,5.1);(92.02562,18.9);(93.03444,29.8);(95.00851,5.6);(101.04224,7.7);(105.03295,4.7);(108.01909,14.2);(109.02055,6.8);(115.05634,4.7);(116.02187,9.3);(117.03345,100.0);(118.03951,6.5);(119.01049,5.4);(121.03097,11.0);(128.03026,6.3);(129.0386,11.2);(130.0424,36.4);(131.04337,14.9);(132.01617,11.7);(133.03638,5.1);(141.02739,10.3);(143.04861,4.7);(145.02893,9.6);(147.00786,4.7);(151.05774,4.2);(154.03867,5.4);(155.04469,7.0);(156.02412,5.6);(160.0123,6.8);(161.02031,13.8);(182.03592,6.8);(183.04306,19.8);(185.06853,10.0);(187.04897,7.7);(200.05086,4.2);(213.02008,5.6);(223.03998,10.5);(267.03107,4.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.0549,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.026,2.0);(137.021,1.9);(147.042,2.0);(153.016,14.11);(157.062,2.1);(165.017,5.01);(183.026,2.0);(185.056,2.4);(213.051,10.91);(229.044,2.0);(231.061,5.61);(241.045,6.51);(242.05,1.0);(258.048,11.11);(259.055,5.21);(269.039,2.1);(287.05,100.0);(288.053,12.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02079,3.5);(65.03943,8.61);(67.02414,6.81);(68.99523,35.24);(77.03919,33.43);(79.0546,17.42);(81.03197,11.91);(83.01368,10.51);(85.02765,3.5);(89.03461,8.01);(91.04527,6.61);(93.03282,56.96);(94.04017,5.11);(95.03648,5.11);(102.04266,4.1);(103.04807,11.71);(105.03222,15.22);(107.04905,12.31);(108.01901,5.51);(109.02205,6.41);(113.03097,3.9);(114.04923,3.7);(115.05335,62.06);(116.05207,4.7);(118.03867,6.21);(119.04912,5.11);(120.02108,3.7);(121.03043,56.16);(127.0531,12.11);(128.0625,39.64);(129.06239,6.41);(131.04691,12.31);(133.03319,6.81);(134.02957,5.71);(137.01865,6.21);(139.0564,25.23);(140.06204,7.01);(141.06136,10.01);(144.06375,3.9);(145.02603,9.01);(145.91254,3.5);(147.04352,7.41);(152.00287,4.5);(153.01648,100.0);(154.02472,3.9);(157.06732,10.01);(158.08511,7.41);(161.05399,5.71);(163.03613,4.1);(165.02762,6.81);(168.0612,6.41);(169.05283,12.51);(171.03571,4.5);(172.05168,5.31);(184.04578,4.1);(185.07239,3.9);(187.02658,5.51);(207.28711,4.1);(211.03433,3.9);(213.04993,4.7);(217.04906,4.1);(226.01849,3.9);(229.04762,3.9);(256.04056,6.11);(285.03793,5.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99739,7.11);(71.01738,1.3);(77.03838,1.2);(79.05756,1.5);(82.02217,1.0);(93.03619,4.0);(105.03112,3.4);(107.04784,7.81);(109.02608,8.31);(111.00823,8.51);(119.04814,1.5);(121.02861,44.84);(122.02896,2.0);(123.03735,1.5);(127.05424,1.7);(128.0569,1.6);(129.0694,3.3);(130.07085,1.4);(132.05028,1.1);(133.02719,6.41);(135.04111,1.9);(137.02159,15.02);(141.06583,4.8);(142.07928,1.3);(143.05145,2.7);(145.06212,2.1);(147.04219,14.81);(153.01849,96.4);(154.02055,4.4);(157.06303,11.01);(158.06639,2.6);(160.04936,2.4);(161.05899,5.21);(165.01793,40.74);(166.0222,6.01);(167.02356,1.0);(169.06079,1.3);(171.04181,4.9);(173.06056,1.2);(175.07709,1.6);(176.04434,1.7);(184.0508,2.7);(185.06169,9.81);(188.0451,2.9);(189.05399,3.0);(197.06299,2.1);(199.04265,3.1);(203.07248,6.41);(213.05539,30.63);(214.05934,2.7);(216.04919,1.6);(217.04813,2.5);(218.03517,2.4);(229.04532,2.5);(231.06784,6.61);(240.04541,1.6);(241.04816,5.21);(242.05322,2.7);(243.06818,2.0);(244.04089,1.2);(245.04553,2.4);(254.2363,1.3);(258.05585,22.82);(259.06686,4.5);(260.06229,1.1);(269.04605,1.0);(270.04837,1.8);(285.03955,1.1);(287.05377,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02166,3.6);(65.03958,5.71);(67.01923,3.9);(79.01723,3.1);(80.02548,5.81);(81.03184,6.71);(83.01126,24.42);(90.00667,3.6);(91.01675,20.32);(92.02695,6.31);(93.03338,100.0);(94.03174,2.4);(95.01006,2.8);(103.0533,2.4);(104.02456,3.6);(105.03395,21.12);(105.85013,2.4);(107.01219,37.64);(108.01995,50.85);(109.02366,21.32);(115.05379,6.61);(116.02702,3.0);(117.0342,52.45);(118.039,3.0);(119.01047,20.32);(120.0203,19.42);(121.03381,7.51);(121.99628,6.71);(123.00978,6.31);(124.01095,9.21);(129.03973,4.4);(130.04411,6.71);(131.04776,16.42);(132.01567,3.9);(133.02972,20.22);(135.00778,35.94);(136.01793,31.23);(137.02412,20.12);(138.02168,4.4);(139.02596,4.0);(141.06992,8.21);(143.04839,78.28);(144.05338,13.31);(145.02705,50.95);(147.04268,3.6);(150.99771,13.71);(152.00502,5.21);(153.03392,2.4);(154.03928,30.73);(155.04793,65.77);(156.05661,24.62);(157.06181,17.92);(158.03545,26.93);(159.0439,77.08);(160.04568,2.8);(161.02141,49.35);(162.02293,4.7);(163.00189,14.31);(164.008,17.42);(165.01352,8.71);(166.02002,3.4);(167.04904,18.02);(168.05768,12.21);(169.06702,7.71);(171.04131,34.93);(172.047,5.81);(173.01987,13.31);(174.03133,5.51);(175.04179,8.71);(176.31322,2.4);(179.04294,4.3);(182.03847,19.92);(183.04247,28.53);(184.05046,35.84);(185.0573,53.35);(186.06477,9.71);(187.03244,62.56);(188.04044,9.01);(189.06136,3.6);(190.0334,2.4);(191.38632,4.4);(195.04131,9.81);(196.05759,3.8);(197.05592,5.11);(198.02596,4.3);(201.05443,10.41);(210.03185,2.7);(211.03801,63.06);(212.04155,24.82);(213.05331,10.41);(214.02103,8.91);(215.03369,10.81);(223.04227,3.2);(226.01872,2.4);(227.03294,45.15);(228.04381,13.61);(229.04214,11.21);(229.93404,2.4);(237.0146,4.0);(238.02534,2.4);(239.03172,42.34);(240.03867,22.62);(241.04874,2.6);(242.27072,2.4);(243.03127,2.7);(250.91214,4.4);(255.02631,15.12);(256.03088,3.4);(257.04266,9.31);(267.03674,3.8);(268.03464,6.91);(269.03381,7.41);(284.02271,12.71);(285.03992,93.79)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.996,4.4);(79.054,1.4);(93.032,1.5);(105.037,4.6);(107.05,7.11);(109.028,4.6);(111.012,11.11);(115.052,2.0);(117.068,1.5);(119.047,1.9);(121.028,59.86);(122.032,1.4);(127.043,2.1);(128.06,1.6);(129.067,3.3);(133.031,7.31);(135.047,3.4);(136.017,1.5);(137.023,17.92);(139.053,1.1);(141.07,2.4);(143.051,1.0);(145.06,5.31);(147.045,12.31);(153.018,100.0);(154.021,2.3);(155.059,1.4);(157.065,13.11);(161.059,4.1);(165.02,33.03);(166.027,1.6);(169.068,1.3);(171.046,6.61);(173.059,1.1);(175.057,2.2);(183.034,5.61);(184.053,1.2);(185.063,9.71);(189.058,2.2);(197.062,2.0);(201.056,1.0);(203.059,3.3);(213.059,26.73);(214.061,1.2);(216.045,1.7);(217.055,1.2);(229.049,5.81);(231.067,11.51);(241.053,14.21);(242.058,1.6);(243.066,1.9);(245.046,1.5);(258.058,18.72);(259.067,7.01);(269.053,2.1);(287.055,82.28);(288.057,4.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(145.0488,2.19);(151.0037,1.15);(177.0212,5.05);(285.0405,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(108.02,1.0);(151.00293,2.0);(154.03976,1.1);(159.0451,1.1);(167.04782,1.1);(169.06046,1.0);(171.0459,1.2);(185.05971,2.0);(187.03807,1.7);(211.03442,1.1);(229.04822,1.2);(257.04352,1.8);(285.03903,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.02586,1.28);(153.01788,2.81);(157.06311,1.28);(165.01608,1.7);(258.04428,1.28);(269.04315,1.28);(287.05502,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.046,1.1);(121.027,12.71);(127.049,1.8);(128.06,3.6);(129.066,3.4);(133.027,2.5);(135.043,1.0);(137.022,8.41);(138.025,1.6);(139.052,2.5);(141.069,1.8);(145.063,5.51);(147.042,9.71);(153.017,90.09);(154.019,4.6);(157.063,19.52);(158.065,1.9);(161.057,5.91);(165.017,18.62);(166.019,1.6);(168.052,1.0);(171.041,6.11);(183.03,5.41);(184.045,2.0);(185.056,9.21);(186.055,1.8);(189.049,1.1);(197.053,1.2);(202.058,1.1);(203.067,3.1);(212.042,3.1);(213.051,48.55);(214.057,6.31);(216.038,6.71);(217.043,1.9);(229.047,16.82);(230.052,3.3);(231.061,14.21);(234.945,1.1);(240.04,1.4);(241.045,17.12);(242.052,4.1);(243.063,1.9);(245.041,2.2);(257.04,3.6);(258.048,36.94);(259.055,13.31);(260.059,1.2);(269.04,6.41);(270.046,1.1);(285.034,2.6);(286.042,2.5);(287.05,100.0);(288.053,14.61)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(287.055,100.0);(288.061,2.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.00578,1.0);(121.0283,4.8);(137.02257,1.3);(153.01758,5.91);(165.01842,4.1);(213.05583,1.9);(258.06094,1.0);(287.05499,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,1.08);(83.0139,1.75);(93.0346,3.75);(107.0139,2.75);(109.0295,1.58);(135.0088,1.56);(137.0246,1.48);(143.0502,2.17);(145.0294,1.29);(151.0037,2.73);(154.0424,2.13);(155.0502,1.23);(157.066,1.76);(159.0452,2.05);(163.0038,2.04);(165.0193,1.15);(169.0659,3.86);(171.0452,2.32);(173.0245,1.36);(185.0608,5.59);(187.0402,3.81);(195.0452,1.01);(199.0402,1.03);(201.0557,1.33);(211.0402,2.21);(213.0557,2.54);(214.0272,2.14);(215.0352,1.86);(227.0351,1.27);(229.0506,5.17);(239.035,3.94);(240.0428,1.02);(243.03,1.9);(255.0299,1.19);(257.0459,1.98);(285.0405,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0286283632);(55.01838972,0.3310405229);(57.03403978,0.1307148564);(69.03403978,0.0225352223);(79.01838972,0.0654258473);(81.03403978,0.065108837);(121.0289544,0.0368957692);(133.0289544,0.0191290729);(137.023869,0.099636692);(151.0395191,0.2339452409);(153.0187836,0.3978262492);(203.0344337,0.0963772543);(207.0293483,0.1101034532);(209.0449984,0.0190559074);(217.0500838,0.0144880265);(219.0293483,0.0302174174);(231.0293483,0.0690554561);(231.0657338,0.0555121455);(233.0449984,0.1513180862);(239.0344337,0.0331254592);(241.0136983,0.0149770991);(243.0293483,0.0643746049);(245.0449984,0.2679521727);(255.0293483,0.2661432119);(257.0086129,0.0679926393);(257.0449984,1.044434735);(259.0242629,0.1981855396);(261.039913,0.1265423345);(269.0449984,12.66735058);(271.0242629,0.4806120125);(287.0555631,82.79129519)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(51.0234751,0.2214784985);(56.99765427,0.4053291672);(69.03403978,0.2451842971);(71.01330434,0.2275315244);(79.01838972,0.6429031057);(81.03403978,0.2870064967);(85.0289544,0.4546978168);(121.0289544,0.2225358237);(133.0289544,0.3587262);(135.0446045,0.4465172573);(137.023869,1.096658254);(151.0395191,0.1835625017);(153.0187836,1.723290695);(167.0344337,0.9346282155);(203.0344337,0.4771891036);(207.0293483,0.3440594888);(219.0293483,0.4925890506);(231.0293483,0.4117104612);(231.0657338,0.1862795753);(233.0449984,0.5637128202);(239.0344337,0.4882855884);(243.0293483,0.9070332095);(245.0449984,3.764199769);(255.0293483,0.8610447711);(257.0086129,0.261559759);(257.0449984,5.424526265);(259.0242629,0.6229550972);(261.039913,0.4720976552);(269.0449984,18.71113262);(271.0242629,0.8304766541);(287.0555631,57.73109825)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,0.9734954631);(55.01838972,3.90135541);(67.01838972,3.051511839);(68.99765427,2.038680317);(69.03403978,4.273850004);(79.01838972,5.400778188);(81.03403978,2.177957721);(85.0289544,3.057092763);(91.01838972,2.962973145);(95.01330434,1.956725818);(111.008219,1.60434043);(121.0289544,8.740564054);(137.023869,8.817978071);(153.0187836,10.9398769);(155.0344337,1.049405775);(201.0551691,1.758168805);(203.0344337,1.421235251);(213.0551691,1.59474936);(215.0344337,1.429942948);(227.0344337,3.030902228);(231.0657338,1.077735591);(233.0449984,1.083591241);(237.0187836,1.383473621);(239.0344337,5.328516852);(241.0136983,0.9390042787);(243.0293483,2.075276715);(245.0449984,2.535984831);(255.0293483,1.166287095);(257.0449984,2.058742555);(261.039913,0.9915307557);(269.0449984,11.17827197)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(41.00273965,0.0712823136);(43.01838972,0.0225511264);(68.99765427,0.0217415341);(79.01838972,0.0257185044);(83.01330434,0.0260160358);(109.0289544,0.0186887064);(119.0133043,0.9931247479);(131.0133043,0.070947271);(133.0289544,1.11090522);(135.008219,0.5285692605);(149.023869,0.725258613);(151.0031336,1.412440489);(153.0187836,0.2697339562);(165.0187836,0.4288456054);(201.0187836,0.0294433385);(205.0136983,0.0271723605);(211.0395191,0.0386751817);(215.0344337,0.244540489);(229.0136983,0.02048669);(229.0500838,1.586484144);(231.0293483,0.024472151);(241.0136983,0.0672557906);(243.0293483,0.3205169743);(253.0136983,0.080824991);(254.9929628,0.0239225569);(255.0293483,0.2996850813);(257.0086129,0.0682676284);(259.0242629,0.3205208156);(267.0293483,2.219315128);(269.0086129,0.0495227839);(285.039913,88.85307051)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,0.1720698981);(43.01838972,0.1499580508);(67.01838972,0.1688491833);(68.99765427,0.1270169083);(83.01330434,0.2708221221);(109.0289544,0.34876822);(119.0133043,0.6637437079);(131.0133043,0.3910418331);(133.0289544,3.08857631);(135.008219,0.926615415);(149.023869,0.2685240968);(151.0031336,5.055617404);(153.0187836,0.2114035445);(165.0187836,0.9839437217);(201.0187836,0.5027886749);(205.0136983,0.1428906636);(211.0395191,0.1762127983);(215.0344337,1.189983987);(217.0136983,0.1404241593);(229.0500838,3.471923378);(231.0293483,0.1006074706);(241.0136983,0.630520311);(243.0293483,2.980715699);(253.0136983,0.8402465943);(254.9929628,0.3964690411);(255.0293483,0.7611417744);(257.0086129,0.7373294949);(259.0242629,0.8400458243);(267.0293483,4.814931198);(269.0086129,0.1649749279);(285.039913,69.28184359)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.858694559);(65.00273965,6.114993965);(67.01838972,3.482409763);(77.00273965,0.8382235824);(83.01330434,5.264961058);(92.99765427,3.153942515);(103.0183897,0.7830073718);(109.0289544,5.911701463);(119.0133043,2.408902056);(125.023869,1.6850745);(131.0133043,4.387067549);(133.0289544,10.88592763);(135.008219,8.839587699);(151.0031336,3.86902099);(153.0187836,1.19920667);(165.0187836,2.559648916);(173.023869,1.469665803);(187.0395191,2.302549429);(199.0395191,0.9355620047);(201.0187836,2.5872332);(211.0395191,1.27036628);(215.0344337,4.073546665);(217.0136983,0.8884288994);(229.0500838,2.815746437);(241.0136983,3.180834411);(243.0293483,5.071456502);(253.0136983,1.056639541);(255.0293483,2.20613311);(267.0293483,3.70078521);(269.0086129,1.131842869);(285.039913,2.066839347)

Food Sources

Name	Group
Acerola	Fruit, Tropical fruits	Publications	Show
Black tea	Teas and herbal teas	Publications	Show
Broccoli	Vegetables, Cabbages	Publications	Show
Common cabbage	Vegetables, Cabbages	Publications	Show
Onion	Vegetables, Onion-family	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
	Kaempferol		Kaempferol 3-O-glucuronide	human	plasma, urine	host metabolism	1h-3h	50-200 nmol/L	10-30%	C₂₁H₁₈O₁₂	462.07982602		Publications
	Cranberry flavonols		Kaempferol	human	plasma	unknown	8h-12h	Not Available	Not Available	C₁₅H₁₀O₆	286.047738042		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Kaempferol