PhytoHub: Showing entry for trans-Resveratrol

trans-Resveratrol

Identification

PhytoHub ID

PHUB002549

Name

trans-Resveratrol

Systematic Name

Not Available

Synonyms

(E)-resveratrol
3,5,4'-Trihydroxystilbene

CAS Number

501-36-0

Average Mass

228.247

Monoisotopic Mass

228.078644246

Chemical Formula

C₁₄H₁₂O₃

IUPAC Name

5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

InChI Key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI Identifier

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

SMILES

Oc1ccc(cc1)\C=C\c1cc(O)cc(O)c1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.88e-02 g/l
LogS (ALOGPS): -3.52
LogP (ALOGPS): 2.57
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 60.69
Refractivity: 67.45550000000001
Polarizability: 24.54276419250356
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -6.178025720766968
pKa (strongest acidic): 8.493489164415605
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 445154
ChEBI: 45713
FooDB (Compounds): FDB031212
HMDB: HMDB0003747
PeakForestCompound: 000284

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Stilbenes
Super-class: Phenylpropanoids and polyketides
Sub-class: Not Available
Direct Parent Name: Stilbenes
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations: ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "resveratrol"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.012);(71.0,0.014);(72.0,0.033);(76.0,0.037);(77.0,0.039);(78.0,0.006);(79.0,0.01);(80.0,0.001);(81.0,0.007);(82.0,0.005);(83.0,0.029);(84.0,0.007);(85.0,0.02);(86.0,0.008);(87.0,0.022);(88.0,0.01);(89.0,0.031);(90.0,0.006);(91.0,0.034);(92.0,0.006);(93.0,0.011);(94.0,0.005);(95.0,0.016);(96.0,0.005);(97.0,0.014);(98.0,0.006);(99.0,0.033);(100.0,0.007);(101.0,0.015);(102.0,0.011);(103.0,0.067);(104.0,0.013);(105.0,0.03);(106.0,0.006);(107.0,0.013);(108.0,0.003);(109.0,0.012);(110.0,0.004);(111.0,0.01);(112.0,0.003);(113.0,0.012);(114.0,0.007);(115.0,0.071);(116.0,0.016);(117.0,0.032);(118.0,0.009);(119.0,0.045);(120.0,0.012);(121.0,0.014);(122.0,0.006);(123.0,0.01);(124.0,0.006);(125.0,0.009);(126.0,0.015);(127.0,0.018);(128.0,0.022);(129.0,0.02);(130.0,0.006);(131.0,0.058);(132.0,0.018);(133.0,0.206);(134.0,0.031);(135.0,0.046);(136.0,0.009);(137.0,0.011);(138.0,0.005);(139.0,0.035);(140.0,0.014);(141.0,0.027);(142.0,0.009);(143.0,0.019);(144.0,0.004);(145.0,0.02);(146.0,0.008);(150.0,0.021);(151.0,0.038);(152.0,0.04);(153.0,0.023);(154.0,0.012);(155.0,0.017);(156.0,0.006);(157.0,0.011);(158.0,0.004);(159.0,0.012);(160.0,0.004);(161.0,0.018);(162.0,0.016);(163.0,0.05);(164.0,0.04);(165.0,0.151);(166.0,0.027);(167.0,0.021);(168.0,0.007);(169.0,0.019);(170.0,0.009);(171.0,0.017);(172.0,0.005);(173.0,0.009);(174.0,0.006);(175.0,0.024);(176.0,0.027);(177.0,0.032);(178.0,0.054);(179.0,0.091);(180.0,0.027);(181.0,0.024);(182.0,0.009);(183.0,0.015);(184.0,0.009);(185.0,0.024);(186.0,0.01);(187.0,0.013);(188.0,0.009);(189.0,0.056);(190.0,0.025);(191.0,0.046);(192.0,0.02);(193.0,0.032);(194.0,0.012);(195.0,0.023);(196.0,0.009);(197.0,0.012);(198.0,0.007);(199.0,0.02);(200.0,0.013);(201.0,0.012);(202.0,0.02);(203.0,0.027);(204.0,0.016);(205.0,0.028);(206.0,0.017);(207.0,0.131);(208.0,0.035);(209.0,0.026);(210.0,0.012);(211.0,0.014);(212.0,0.006);(213.0,0.009);(214.0,0.007);(215.0,0.01);(216.0,0.006);(217.0,0.015);(218.0,0.008);(219.0,0.029);(220.0,0.017);(221.0,0.029);(222.0,0.017);(223.0,0.038);(224.0,0.017);(225.0,0.016);(226.0,0.005);(227.0,0.008);(228.0,0.004);(229.0,0.01);(230.0,0.004);(231.0,0.008);(232.0,0.005);(233.0,0.022);(234.0,0.013);(235.0,0.029);(236.0,0.025);(237.0,0.032);(238.0,0.018);(239.0,0.023);(240.0,0.012);(241.0,0.011);(242.0,0.005);(243.0,0.01);(244.0,0.004);(245.0,0.008);(246.0,0.005);(247.0,0.015);(248.0,0.007);(249.0,0.022);(250.0,0.015);(251.0,0.032);(252.0,0.018);(253.0,0.031);(254.0,0.017);(255.0,0.015);(256.0,0.007);(257.0,0.008);(258.0,0.004);(259.0,0.011);(260.0,0.005);(261.0,0.01);(262.0,0.005);(263.0,0.02);(264.0,0.013);(265.0,0.028);(266.0,0.016);(267.0,0.035);(268.0,0.015);(269.0,0.015);(270.0,0.006);(271.0,0.007);(272.0,0.004);(273.0,0.009);(274.0,0.004);(275.0,0.005);(276.0,0.003);(277.0,0.013);(278.0,0.008);(279.0,0.022);(280.0,0.018);(281.0,0.018);(282.0,0.011);(283.0,0.014);(284.0,0.007);(285.0,0.006);(286.0,0.003);(287.0,0.004);(288.0,0.002);(289.0,0.003);(290.0,0.003);(291.0,0.007);(292.0,0.006);(293.0,0.018);(294.0,0.011);(295.0,0.014);(296.0,0.01);(297.0,0.015);(298.0,0.008);(299.0,0.008);(300.0,0.004);(301.0,0.004);(302.0,0.002);(303.0,0.003);(304.0,0.003);(305.0,0.005);(306.0,0.005);(307.0,0.023);(308.0,0.018);(309.0,0.02);(310.0,0.011);(311.0,0.016);(312.0,0.012);(313.0,0.013);(314.0,0.007);(315.0,0.005);(316.0,0.003);(317.0,0.003);(318.0,0.002);(319.0,0.003);(320.0,0.002);(321.0,0.008);(322.0,0.008);(323.0,0.045);(324.0,0.023);(325.0,0.017);(326.0,0.013);(327.0,0.015);(328.0,0.011);(329.0,0.006);(330.0,0.003);(331.0,0.002);(332.0,0.002);(333.0,0.002);(334.0,0.002);(335.0,0.003);(336.0,0.003);(337.0,0.01);(338.0,0.009);(339.0,0.05);(340.0,0.025);(341.0,0.059);(342.0,0.022);(343.0,0.021);(344.0,0.013);(345.0,0.006);(346.0,0.003);(347.0,0.002);(348.0,0.002);(349.0,0.002);(350.0,0.002);(351.0,0.004);(352.0,0.004);(353.0,0.013);(354.0,0.034);(355.0,0.069);(356.0,0.04);(357.0,0.015);(358.0,0.009);(359.0,0.003);(360.0,0.002);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.002);(366.0,0.002);(367.0,0.004);(368.0,0.003);(369.0,0.006);(370.0,0.013);(371.0,0.036);(372.0,0.017);(373.0,0.009);(374.0,0.003);(375.0,0.001);(376.0,0.001);(377.0,0.001);(378.0,0.001);(379.0,0.002);(380.0,0.002);(381.0,0.003);(382.0,0.002);(383.0,0.002);(384.0,0.002);(385.0,0.002);(386.0,0.001);(387.0,0.001);(388.0,0.001);(389.0,0.001);(390.0,0.001);(391.0,0.001);(392.0,0.002);(393.0,0.002);(394.0,0.002);(395.0,0.003);(396.0,0.004);(397.0,0.004);(398.0,0.003);(399.0,0.003);(400.0,0.002);(401.0,0.002);(402.0,0.002);(403.0,0.002);(404.0,0.002);(405.0,0.001);(406.0,0.001);(407.0,0.002);(408.0,0.002);(409.0,0.002);(410.0,0.002);(411.0,0.005);(412.0,0.006);(413.0,0.006);(414.0,0.005);(415.0,0.003);(416.0,0.002);(417.0,0.002);(418.0,0.002);(419.0,0.001);(420.0,0.001);(421.0,0.001);(422.0,0.001);(423.0,0.001);(424.0,0.001);(425.0,0.001);(426.0,0.003);(427.0,0.012);(428.0,0.02);(429.0,0.069);(430.0,0.043);(431.0,0.019);(432.0,0.008);(433.0,0.003);(434.0,0.002);(435.0,0.002);(436.0,0.002);(437.0,0.003);(438.0,0.003);(439.0,0.004);(440.0,0.005);(441.0,0.012);(442.0,0.053);(443.0,0.262);(444.0,1.0);(445.0,0.435);(446.0,0.194);(447.0,0.054);(448.0,0.014);(449.0,0.004);(450.0,0.001);(451.0,0.001);(452.0,0.001);(453.0,0.001);(454.0,0.001);(455.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(464.0,0.0);(465.0,0.0);(466.0,0.0);(467.0,0.0);(468.0,0.001);(469.0,0.001);(470.0,0.001);(471.0,0.001);(472.0,0.001);(473.0,0.0);(474.0,0.0);(475.0,0.0);(488.0,0.0);(489.0,0.0);(490.0,0.0);(491.0,0.0);(492.0,0.0);(493.0,0.0);(510.0,0.0);(511.0,0.0);(512.0,0.0);(513.0,0.0);(515.0,0.0);(532.0,0.0);(533.0,0.0);(551.0,0.0);(557.0,0.0);(559.0,0.0);(575.0,0.0);(576.0,0.0);(577.0,0.0);(578.0,0.0);(579.0,0.0);(580.0,0.0);(581.0,0.0);(597.0,0.0)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.012);(71.0,0.014);(72.0,0.033);(76.0,0.037);(77.0,0.039);(78.0,0.006);(79.0,0.01);(80.0,0.001);(81.0,0.007);(82.0,0.005);(83.0,0.029);(84.0,0.007);(85.0,0.02);(86.0,0.008);(87.0,0.022);(88.0,0.01);(89.0,0.031);(90.0,0.006);(91.0,0.034);(92.0,0.006);(93.0,0.011);(94.0,0.005);(95.0,0.016);(96.0,0.005);(97.0,0.014);(98.0,0.006);(99.0,0.033);(100.0,0.007);(101.0,0.015);(102.0,0.011);(103.0,0.067);(104.0,0.013);(105.0,0.03);(106.0,0.006);(107.0,0.013);(108.0,0.003);(109.0,0.012);(110.0,0.004);(111.0,0.01);(112.0,0.003);(113.0,0.012);(114.0,0.007);(115.0,0.071);(116.0,0.016);(117.0,0.032);(118.0,0.009);(119.0,0.045);(120.0,0.012);(121.0,0.014);(122.0,0.006);(123.0,0.01);(124.0,0.006);(125.0,0.009);(126.0,0.015);(127.0,0.018);(128.0,0.022);(129.0,0.02);(130.0,0.006);(131.0,0.058);(132.0,0.018);(133.0,0.206);(134.0,0.031);(135.0,0.046);(136.0,0.009);(137.0,0.011);(138.0,0.005);(139.0,0.035);(140.0,0.014);(141.0,0.027);(142.0,0.009);(143.0,0.019);(144.0,0.004);(145.0,0.02);(146.0,0.008);(150.0,0.021);(151.0,0.038);(152.0,0.04);(153.0,0.023);(154.0,0.012);(155.0,0.017);(156.0,0.006);(157.0,0.011);(158.0,0.004);(159.0,0.012);(160.0,0.004);(161.0,0.018);(162.0,0.016);(163.0,0.05);(164.0,0.04);(165.0,0.151);(166.0,0.027);(167.0,0.021);(168.0,0.007);(169.0,0.019);(170.0,0.009);(171.0,0.017);(172.0,0.005);(173.0,0.009);(174.0,0.006);(175.0,0.024);(176.0,0.027);(177.0,0.032);(178.0,0.054);(179.0,0.091);(180.0,0.027);(181.0,0.024);(182.0,0.009);(183.0,0.015);(184.0,0.009);(185.0,0.024);(186.0,0.01);(187.0,0.013);(188.0,0.009);(189.0,0.056);(190.0,0.025);(191.0,0.046);(192.0,0.02);(193.0,0.032);(194.0,0.012);(195.0,0.023);(196.0,0.009);(197.0,0.012);(198.0,0.007);(199.0,0.02);(200.0,0.013);(201.0,0.012);(202.0,0.02);(203.0,0.027);(204.0,0.016);(205.0,0.028);(206.0,0.017);(207.0,0.131);(208.0,0.035);(209.0,0.026);(210.0,0.012);(211.0,0.014);(212.0,0.006);(213.0,0.009);(214.0,0.007);(215.0,0.01);(216.0,0.006);(217.0,0.015);(218.0,0.008);(219.0,0.029);(220.0,0.017);(221.0,0.029);(222.0,0.017);(223.0,0.038);(224.0,0.017);(225.0,0.016);(226.0,0.005);(227.0,0.008);(228.0,0.004);(229.0,0.01);(230.0,0.004);(231.0,0.008);(232.0,0.005);(233.0,0.022);(234.0,0.013);(235.0,0.029);(236.0,0.025);(237.0,0.032);(238.0,0.018);(239.0,0.023);(240.0,0.012);(241.0,0.011);(242.0,0.005);(243.0,0.01);(244.0,0.004);(245.0,0.008);(246.0,0.005);(247.0,0.015);(248.0,0.007);(249.0,0.022);(250.0,0.015);(251.0,0.032);(252.0,0.018);(253.0,0.031);(254.0,0.017);(255.0,0.015);(256.0,0.007);(257.0,0.008);(258.0,0.004);(259.0,0.011);(260.0,0.005);(261.0,0.01);(262.0,0.005);(263.0,0.02);(264.0,0.013);(265.0,0.028);(266.0,0.016);(267.0,0.035);(268.0,0.015);(269.0,0.015);(270.0,0.006);(271.0,0.007);(272.0,0.004);(273.0,0.009);(274.0,0.004);(275.0,0.005);(276.0,0.003);(277.0,0.013);(278.0,0.008);(279.0,0.022);(280.0,0.018);(281.0,0.018);(282.0,0.011);(283.0,0.014);(284.0,0.007);(285.0,0.006);(286.0,0.003);(287.0,0.004);(288.0,0.002);(289.0,0.003);(290.0,0.003);(291.0,0.007);(292.0,0.006);(293.0,0.018);(294.0,0.011);(295.0,0.014);(296.0,0.01);(297.0,0.015);(298.0,0.008);(299.0,0.008);(300.0,0.004);(301.0,0.004);(302.0,0.002);(303.0,0.003);(304.0,0.003);(305.0,0.005);(306.0,0.005);(307.0,0.023);(308.0,0.018);(309.0,0.02);(310.0,0.011);(311.0,0.016);(312.0,0.012);(313.0,0.013);(314.0,0.007);(315.0,0.005);(316.0,0.003);(317.0,0.003);(318.0,0.002);(319.0,0.003);(320.0,0.002);(321.0,0.008);(322.0,0.008);(323.0,0.045);(324.0,0.023);(325.0,0.017);(326.0,0.013);(327.0,0.015);(328.0,0.011);(329.0,0.006);(330.0,0.003);(331.0,0.002);(332.0,0.002);(333.0,0.002);(334.0,0.002);(335.0,0.003);(336.0,0.003);(337.0,0.01);(338.0,0.009);(339.0,0.05);(340.0,0.025);(341.0,0.059);(342.0,0.022);(343.0,0.021);(344.0,0.013);(345.0,0.006);(346.0,0.003);(347.0,0.002);(348.0,0.002);(349.0,0.002);(350.0,0.002);(351.0,0.004);(352.0,0.004);(353.0,0.013);(354.0,0.034);(355.0,0.069);(356.0,0.04);(357.0,0.015);(358.0,0.009);(359.0,0.003);(360.0,0.002);(361.0,0.001);(362.0,0.001);(363.0,0.001);(364.0,0.001);(365.0,0.002);(366.0,0.002);(367.0,0.004);(368.0,0.003);(369.0,0.006);(370.0,0.013);(371.0,0.036);(372.0,0.017);(373.0,0.009);(374.0,0.003);(375.0,0.001);(376.0,0.001);(377.0,0.001);(378.0,0.001);(379.0,0.002);(380.0,0.002);(381.0,0.003);(382.0,0.002);(383.0,0.002);(384.0,0.002);(385.0,0.002);(386.0,0.001);(387.0,0.001);(388.0,0.001);(389.0,0.001);(390.0,0.001);(391.0,0.001);(392.0,0.002);(393.0,0.002);(394.0,0.002);(395.0,0.003);(396.0,0.004);(397.0,0.004);(398.0,0.003);(399.0,0.003);(400.0,0.002);(401.0,0.002);(402.0,0.002);(403.0,0.002);(404.0,0.002);(405.0,0.001);(406.0,0.001);(407.0,0.002);(408.0,0.002);(409.0,0.002);(410.0,0.002);(411.0,0.005);(412.0,0.006);(413.0,0.006);(414.0,0.005);(415.0,0.003);(416.0,0.002);(417.0,0.002);(418.0,0.002);(419.0,0.001);(420.0,0.001);(421.0,0.001);(422.0,0.001);(423.0,0.001);(424.0,0.001);(425.0,0.001);(426.0,0.003);(427.0,0.012);(428.0,0.02);(429.0,0.069);(430.0,0.043);(431.0,0.019);(432.0,0.008);(433.0,0.003);(434.0,0.002);(435.0,0.002);(436.0,0.002);(437.0,0.003);(438.0,0.003);(439.0,0.004);(440.0,0.005);(441.0,0.012);(442.0,0.053);(443.0,0.262);(444.0,1.0);(445.0,0.435);(446.0,0.194);(447.0,0.054);(448.0,0.014);(449.0,0.004);(450.0,0.001);(451.0,0.001);(452.0,0.001);(453.0,0.001);(454.0,0.001);(455.0,0.0);(456.0,0.0);(457.0,0.0);(458.0,0.0);(464.0,0.0);(465.0,0.0);(466.0,0.0);(467.0,0.0);(468.0,0.001);(469.0,0.001);(470.0,0.001);(471.0,0.001);(472.0,0.001);(473.0,0.0);(474.0,0.0);(475.0,0.0);(488.0,0.0);(489.0,0.0);(490.0,0.0);(491.0,0.0);(492.0,0.0);(493.0,0.0);(510.0,0.0);(511.0,0.0);(512.0,0.0);(513.0,0.0);(515.0,0.0);(532.0,0.0);(533.0,0.0);(551.0,0.0);(557.0,0.0);(559.0,0.0);(575.0,0.0);(576.0,0.0);(577.0,0.0);(578.0,0.0);(579.0,0.0);(580.0,0.0);(581.0,0.0);(597.0,0.0)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(94.04131312,2.930346432);(95.04913772,1.421728819);(104.0256639,1.385488348);(105.0334885,3.346911108);(110.0362272,2.929318566);(111.0440518,1.421230194);(122.0362272,3.199288462);(123.0440518,5.141822229);(157.0284026,1.563859426);(157.0647869,2.54700989);(158.0362272,1.57663718);(160.0518764,1.162713094);(170.0362272,1.470919981);(171.0440518,2.103501136);(182.0362272,1.457027205);(183.0440518,1.569808288);(184.0518764,1.966975819);(186.0675256,1.562244799);(197.059701,1.901392008);(198.0675256,2.300570132);(199.0753502,5.712909536);(200.0831748,2.521808362);(210.0675256,2.589115074);(211.0753502,1.629953144);(212.0467905,1.404040451);(213.0546151,2.268135387);(226.0624397,2.057520798);(227.0702643,14.01434321);(228.073656,2.235144673);(228.0780889,19.49591242);(229.0814834,3.112323829)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(71.03115062,0.8900586637);(73.04679982,16.72309641);(74.04796012,1.43093242);(74.05462442,0.6218728315);(75.02606472,4.86901962);(75.06244902,0.7665377619);(229.1043107,0.7148334685);(315.1230994,0.6358369433);(326.1152748,0.6872519856);(328.130924,0.784134386);(330.1465732,0.6352826188);(342.1465732,1.015130843);(343.1543978,3.691003043);(344.1565891,1.176519765);(354.1465732,0.7592898347);(355.1543978,0.7830203727);(357.1336627,2.140182742);(358.1358526,0.6823507339);(370.1414873,0.9740913993);(371.1493119,3.774401486);(372.151545,1.246768674);(372.1571365,4.54232154);(373.1593714,1.501111181);(373.1649611,1.874165608);(428.1653619,0.9724748725);(429.1731865,13.22785288);(430.1751569,5.347286394);(431.1733159,2.426514049);(432.1741148,0.6239172376);(443.1888357,0.6459913332);(444.1966603,1.244900623)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(81.03348852,0.9144592927);(94.04131312,2.248078172);(95.04913772,1.090709784);(104.0256639,0.9862211083);(105.0334885,2.315290516);(110.0362272,2.027758969);(111.0440518,1.086759761);(122.0362272,1.469374488);(123.0440518,2.509074785);(156.020578,0.8722450916);(157.0284026,1.19974833);(157.0647869,1.600182756);(158.0362272,1.209551058);(160.0518764,0.89200031);(170.0362272,1.12844784);(171.0440518,1.613746053);(182.0362272,0.9280100148);(183.0440518,1.037670206);(184.0518764,1.266910842);(186.0675256,0.9978675101);(197.059701,1.246490039);(198.0675256,1.623580971);(199.0753502,4.15132125);(200.0831748,1.738270972);(210.0675256,1.98629521);(211.0753502,1.250453545);(212.0467905,1.252357957);(213.0546151,1.740048752);(227.0702643,1.158095907);(228.0780889,16.20367621);(229.0814834,2.586751853)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(143.0503,8.0);(183.0815,7.0);(185.0606,26.0);(186.0637,3.0);(225.0556,6.0);(226.0627,3.0);(227.0718,999.0);(228.0751,169.0);(229.0773,19.0);(243.0666,3.0);(295.0585,7.0);(453.135,17.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(143.0503,8.0);(183.0815,7.0);(185.0606,26.0);(186.0637,3.0);(225.0556,6.0);(226.0627,3.0);(227.0718,999.0);(228.0751,169.0);(229.0773,19.0);(243.0666,3.0);(295.0585,7.0);(453.135,17.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(143.0503,8.0);(183.0815,7.0);(185.0606,26.0);(186.0637,3.0);(225.0556,6.0);(226.0627,3.0);(227.0718,999.0);(228.0751,169.0);(229.0773,19.0);(243.0666,3.0);(295.0585,7.0);(453.135,17.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(119.0515,24.0);(141.0727,27.0);(143.0521,140.0);(157.0674,34.0);(159.0838,40.0);(182.0751,23.0);(183.0825,71.0);(185.0637,241.0);(186.0655,29.0);(227.0747,999.0);(228.0774,101.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(119.0515,24.0);(141.0727,27.0);(143.0521,140.0);(157.0674,34.0);(159.0838,40.0);(182.0751,23.0);(183.0825,71.0);(185.0637,241.0);(186.0655,29.0);(227.0747,999.0);(228.0774,101.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(143.0503,8.0);(183.0815,7.0);(185.0606,26.0);(186.0637,3.0);(225.0556,6.0);(226.0627,3.0);(227.0718,999.0);(228.0751,169.0);(229.0773,19.0);(243.0666,3.0);(295.0585,7.0);(453.135,17.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(115.0574,999.0);(117.037,506.0);(119.0513,308.0);(143.0515,607.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(115.0567,999.0);(116.048,295.0);(117.0358,530.0);(119.0536,301.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(119.0515,24.0);(141.0727,27.0);(143.0521,140.0);(157.0674,34.0);(159.0838,40.0);(182.0751,23.0);(183.0825,71.0);(185.0637,241.0);(186.0655,29.0);(227.0747,999.0);(228.0774,101.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(115.0571,624.0);(117.0365,273.0);(119.0508,196.0);(143.0526,999.0);(144.0555,187.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(48.190304,140.0);(55.623405,208.0);(57.351089,180.0);(59.253712,152.0);(62.088985,144.0);(62.51944,148.0);(67.491493,140.0);(67.789413,192.0);(71.240753,172.0);(71.267632,312.0);(71.582176,144.0);(73.627586,148.0);(79.087524,204.0);(82.202713,216.0);(83.178223,168.0);(91.007088,148.0);(91.053101,224.0);(92.060097,264.0);(92.996277,168.0);(107.049576,2592.0);(108.05558,368.0);(118.949493,164.0);(119.049355,876.0);(120.056473,240.0);(121.026535,316.0);(121.064377,164.0);(122.069427,172.0);(128.062958,172.0);(128.938461,168.0);(129.07251,228.0);(131.045517,148.0);(133.066086,348.0);(134.994675,164.0);(135.044464,3916.0);(135.656845,108.0);(135.979263,156.0);(136.051437,656.0);(136.072113,168.0);(137.053665,392.0);(141.069489,200.0);(142.072922,172.0);(144.057922,156.0);(145.066681,512.0);(145.936417,136.0);(145.964142,272.0);(147.043716,144.0);(148.102371,176.0);(151.056519,300.0);(152.059372,160.0);(153.072922,500.0);(154.076645,192.0);(155.085281,396.0);(156.085159,172.0);(156.538681,204.0);(157.038818,136.0);(157.062424,188.0);(158.069412,148.0);(159.083328,296.0);(159.252701,144.0);(160.052399,188.0);(161.488327,148.0);(163.939285,136.0);(165.070572,1972.0);(166.075699,288.0);(167.108246,152.0);(168.055359,476.0);(169.053802,164.0);(170.07753,184.0);(173.059723,156.0);(178.482208,164.0);(178.857315,168.0);(181.06514,400.0);(182.073425,572.0);(183.08165,660.0);(184.085159,348.0);(185.060883,168.0);(186.969955,232.0);(187.076279,308.0);(188.021774,196.0);(192.052185,168.0);(193.068909,748.0);(193.857513,152.0);(193.899078,236.0);(194.06749,176.0);(196.058456,144.0);(196.083542,148.0);(197.055298,164.0);(198.061691,224.0);(201.092072,248.0);(201.20842,220.0);(208.975113,172.0);(210.076385,168.0);(211.07605,1124.0);(212.111389,156.0);(212.671188,172.0);(227.077332,176.0);(228.079803,496.0);(229.054459,176.0);(229.08699,19940.0);(229.225128,196.0);(229.356186,220.0);(230.089569,2272.0);(231.091919,740.0);(231.381683,172.0);(231.420578,156.0);(231.607254,144.0);(231.940552,140.0);(256.099792,200.0);(284.104431,168.0);(350.257782,148.0);(1529.303955,140.0);(1542.931641,200.0);(1607.847778,228.0);(1687.752075,168.0);(1735.700928,180.0);(1768.650146,236.0);(1818.311279,168.0);(1842.476929,144.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(45.325607,152.0);(46.675411,164.0);(47.212883,168.0);(49.117722,148.0);(49.166557,148.0);(50.881176,96.0);(51.712284,152.0);(51.743778,44.0);(51.991772,156.0);(52.155514,156.0);(54.118534,44.0);(54.332527,60.0);(56.492691,204.0);(56.837303,156.0);(56.912357,224.0);(60.186531,116.0);(62.129078,176.0);(63.341404,132.0);(63.938435,108.0);(64.110435,124.0);(71.607239,164.0);(72.655312,196.0);(75.338173,196.0);(75.957932,72.0);(76.180138,64.0);(80.151558,172.0);(89.308914,108.0);(89.902405,160.0);(90.956665,200.0);(91.053047,192.0);(92.500755,68.0);(93.218086,216.0);(94.276093,132.0);(94.608795,200.0);(94.912987,144.0);(95.013847,152.0);(96.150269,156.0);(98.619202,176.0);(100.695564,248.0);(103.060287,180.0);(103.945,72.0);(106.066154,168.0);(107.015305,156.0);(107.04911,1100.0);(107.157425,32.0);(107.644226,68.0);(108.053497,156.0);(109.023949,204.0);(109.685837,200.0);(110.036316,152.0);(111.042877,224.0);(111.551033,96.0);(113.22007,136.0);(114.458153,56.0);(115.05204,192.0);(115.179024,68.0);(115.827171,176.0);(117.038475,144.0);(117.071358,208.0);(119.048492,284.0);(120.05571,696.0);(120.955223,120.0);(120.977119,152.0);(121.025284,160.0);(123.048141,172.0);(126.449371,256.0);(127.050743,216.0);(128.063736,192.0);(128.629715,88.0);(129.067749,156.0);(129.500275,136.0);(130.77179,64.0);(131.054184,180.0);(131.090652,128.0);(135.046051,216.0);(135.866608,104.0);(136.052505,488.0);(139.054276,324.0);(140.060593,152.0);(140.270325,60.0);(141.06955,204.0);(141.486969,60.0);(143.058609,156.0);(144.057739,224.0);(144.876007,32.0);(145.064972,220.0);(146.235138,128.0);(150.934494,164.0);(152.062271,516.0);(153.067566,412.0);(154.065857,168.0);(154.196823,28.0);(155.084747,312.0);(157.061249,200.0);(158.066559,144.0);(159.202179,72.0);(160.052155,200.0);(163.056137,184.0);(164.063049,132.0);(165.068863,1644.0);(166.069809,488.0);(166.825394,60.0);(167.085144,160.0);(168.053772,480.0);(168.234573,40.0);(169.058609,300.0);(171.078537,128.0);(172.045731,168.0);(173.057343,216.0);(181.063004,636.0);(181.733551,248.0);(181.800644,52.0);(182.065109,156.0);(183.031845,164.0);(183.080322,176.0);(183.20961,32.0);(184.634842,144.0);(186.103592,228.0);(193.063004,312.0);(193.972427,36.0);(194.074661,128.0);(194.094421,156.0);(194.205353,80.0);(195.157898,104.0);(195.219086,84.0);(196.048508,140.0);(196.093277,168.0);(196.561798,128.0);(197.05603,92.0);(197.520111,20.0);(198.060364,156.0);(200.040085,116.0);(200.085129,136.0);(200.913712,36.0);(210.069443,388.0);(211.075104,144.0);(212.058441,192.0);(212.084534,144.0);(213.056671,124.0);(216.009842,56.0);(216.17662,60.0);(228.076859,152.0);(229.081924,172.0);(240.826904,92.0);(293.136902,124.0);(757.350952,92.0);(819.029663,200.0);(901.822754,76.0);(980.76947,116.0);(991.194153,20.0);(1011.294067,20.0);(1033.667969,84.0);(1043.346924,48.0);(1127.662842,104.0);(1140.383667,148.0);(1152.089478,168.0);(1153.954834,240.0);(1206.375732,204.0);(1239.492798,216.0);(1278.510986,148.0);(1297.174927,172.0);(1298.078369,224.0);(1304.8927,144.0);(1308.086914,128.0);(1327.97998,56.0);(1343.488892,112.0);(1349.03186,144.0);(1374.924438,196.0);(1385.202148,200.0);(1385.254028,92.0);(1411.064087,192.0);(1434.985352,136.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(158.979,1.50258);(185.061,1.57759);(227.068,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.048,0.83928);(114.986,1.32643);(117.032,1.18543);(119.048,2.05341);(130.981,1.04642);(141.071,3.72348);(143.05,26.12927);(145.029,1.76366);(157.066,5.43299);(159.082,9.713);(181.064,3.0272);(182.071,4.48964);(183.078,12.47068);(184.053,1.02396);(185.057,51.83429);(225.057,1.93112);(227.071,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(93.031,1.78579);(115.053,14.32241);(117.032,13.40984);(119.048,8.06557);(141.07,2.98798);(143.049,100.0);(145.029,1.48634);(156.058,2.87978);(157.066,4.34044);(159.081,4.22404);(167.05,1.79399);(180.056,2.85792);(181.064,6.2623);(182.071,5.88525);(183.075,3.64863);(184.051,1.64645);(185.057,8.03279)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(64.999,1.12468);(65.035,2.53442);(89.035,1.02133);(93.031,13.47101);(114.045,1.3025);(115.053,82.23773);(116.024,2.81753);(117.032,46.18964);(119.048,19.6432);(129.069,0.84681);(130.039,0.79833);(139.054,2.10781);(141.034,4.49292);(142.041,1.98371);(143.05,100.0);(152.065,0.94687);(156.059,3.08319);(157.066,2.78263);(167.05,4.08571);(169.065,1.99729);(180.056,7.18829);(181.063,3.20535);(182.069,1.14078);(183.042,2.51115)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(107.0,0.10432);(115.0,0.3096);(116.0,0.13744);(117.0,0.90646);(119.0,1.37222);(141.0,4.21615);(143.0,37.69117);(145.0,2.12337);(155.0,0.25051);(156.0,0.30796);(157.0,7.73443);(159.0,11.8809);(161.0,0.29405);(165.0,0.49163);(167.0,0.67332);(168.0,0.69192);(170.0,0.30954);(180.0,0.13117);(181.0,3.70101);(182.0,5.75946);(183.0,17.50303);(184.0,0.88108);(185.0,76.9402);(197.0,0.1065);(199.0,0.4944);(209.0,0.99997);(211.0,0.17423);(212.0,1.97561);(225.0,2.91848);(226.0,0.3221);(227.0,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(41.0,0.41874);(81.0,0.10687);(93.0,0.43225);(107.0,0.21669);(115.0,2.02918);(117.0,5.25463);(119.0,2.25573);(129.0,0.19208);(139.0,0.20396);(140.0,0.27811);(141.0,3.55444);(142.0,0.13147);(143.0,100.0);(144.0,0.11331);(145.0,2.54566);(151.0,0.10335);(152.0,0.11189);(153.0,0.22823);(155.0,1.07112);(156.0,1.20846);(157.0,10.60259);(159.0,13.27472);(161.0,0.70325);(163.0,0.18521);(165.0,0.27126);(167.0,1.45094);(168.0,0.82628);(170.0,1.09554);(180.0,2.20436);(181.0,12.52877);(182.0,16.06068);(183.0,12.40432);(184.0,2.53576);(185.0,63.21836);(195.0,0.17647);(196.0,0.26639);(197.0,0.21583);(198.0,0.22134);(199.0,0.49083);(208.0,0.39391);(209.0,0.45379);(212.0,0.63555);(224.0,0.13624);(225.0,2.46302);(226.0,0.34944);(227.0,19.69671)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(115.0574,100.0);(117.037,50.650651);(119.0513,30.830831);(143.0515,60.760761)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(115.0567,100.0);(116.048,29.52953);(117.0358,53.053053);(119.0536,30.13013)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(119.0515,2.402402);(141.0727,2.702703);(143.0521,14.014014);(157.0674,3.403403);(159.0838,4.004004);(182.0751,2.302302);(183.0825,7.107107);(185.0637,24.124124);(186.0655,2.902903);(227.0747,100.0);(228.0774,10.11011)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(115.0571,62.462462);(117.0365,27.327327);(119.0508,19.61962);(143.0526,100.0);(144.0555,18.718719)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(85.0284,0.101065);(91.0542,0.976059);(95.0491,0.38801);(107.0491,3.092771);(111.044,1.263371);(119.0491,5.991179);(120.0567,0.228361);(121.0283,0.202338);(123.044,0.218214);(135.044,19.36543);(136.0516,0.243855);(141.0698,0.193645);(145.0648,0.659248);(157.0648,0.127295);(159.0801,0.279523);(165.0697,0.455327);(169.0646,0.106279);(171.0439,0.139928);(173.0599,0.102749);(183.0804,1.831987);(187.0753,0.395872);(193.0645,0.516741);(201.0905,0.422945);(211.0753,3.455768);(229.0857,100.0)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(65.0385,0.576071);(67.0542,0.335517);(68.9971,2.412867);(69.0335,0.197489);(71.0127,0.581353);(77.0383,0.131758);(79.0542,2.487705);(81.0335,0.728564);(83.0492,0.106755);(85.0284,0.474051);(91.0542,37.132933);(95.0491,3.724989);(101.0596,0.138911);(105.0336,0.148101);(105.0448,0.138739);(105.0698,0.143207);(107.0491,100.0);(109.0284,3.877765);(110.0362,0.79517);(111.0441,5.02946);(115.0543,0.532499);(117.0332,0.118728);(117.0699,0.384516);(119.0492,31.061067);(120.057,10.992391);(121.0284,5.946092);(121.0648,0.679842);(123.044,4.452858);(128.0617,0.123383);(129.0699,0.412108);(131.0494,0.92347);(131.0854,0.616145);(133.0648,0.82576);(135.044,60.915701);(136.0518,7.834981);(137.0234,0.396336);(141.0697,4.050248);(143.0855,0.361198);(144.0571,0.482392);(145.0648,5.310564);(147.0441,1.104686);(152.0618,0.132212);(153.0699,3.116652);(154.0777,0.308668);(155.0855,5.409513);(157.0648,1.292289);(158.0729,0.150301);(159.0804,2.232721);(160.0518,0.768428);(161.0597,0.622515);(161.0961,0.531636);(165.0699,16.054861);(168.0571,0.636844);(169.0647,0.892262);(171.044,0.981709);(171.0805,0.120547);(173.0595,1.184371);(173.096,0.78663);(181.0648,0.816282);(182.0726,0.404361);(183.0804,14.854696);(185.0589,0.134899);(187.0388,0.131569);(187.0755,1.776164);(193.0647,4.930324);(193.0757,0.752617);(194.0726,0.18104);(197.0598,0.412013);(199.0751,0.652584);(201.0907,1.922481);(210.0676,0.455559);(211.0753,7.888612);(212.0833,0.535976);(214.0625,0.837991);(227.0702,0.38485);(229.0858,12.677511)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(63.0228,0.25595);(65.0386,6.796209);(67.0542,1.517642);(68.9971,6.882039);(71.0127,0.601905);(77.0385,1.722446);(78.0464,0.159553);(79.0542,11.671292);(80.0621,0.245757);(81.0335,5.117375);(83.0491,0.127063);(89.0386,1.018077);(90.0464,0.134744);(91.0542,52.403685);(92.062,0.916503);(93.0334,0.180006);(93.0699,0.32645);(94.0412,0.748545);(95.0491,19.848093);(103.0542,1.264056);(105.0336,0.572966);(105.0447,3.132454);(105.07,1.333841);(106.041,0.101393);(107.0491,100.0);(108.057,0.213212);(109.0284,2.915817);(110.0362,1.317716);(111.044,2.490285);(115.0542,6.994748);(116.062,0.648766);(117.0334,0.370146);(117.0698,1.550852);(118.0413,0.781298);(119.0491,7.276093);(120.057,15.697906);(121.0284,6.832634);(121.0394,0.821661);(121.0648,0.361678);(123.044,3.463858);(127.0542,0.467277);(128.062,2.545361);(129.0698,3.681646);(131.0492,2.239779);(131.0856,0.468514);(132.057,0.200924);(133.0649,0.674305);(134.0361,0.139021);(135.044,4.345629);(136.0518,3.670455);(137.0231,0.179605);(139.054,0.538709);(140.0619,0.473601);(141.0697,5.285224);(144.057,2.261788);(145.0648,4.180957);(147.0442,0.79236);(152.062,2.733519);(153.0699,11.839174);(154.0777,3.872309);(155.0604,1.333967);(155.0855,5.63387);(157.0647,1.998509);(158.073,0.761619);(159.0808,0.597128);(160.0518,0.562213);(161.0598,0.368225);(163.0536,0.101665);(164.0618,1.145566);(165.0698,44.270309);(166.0783,0.682146);(167.0857,0.116793);(168.0568,4.658776);(169.0646,1.075697);(171.044,0.204732);(171.0551,0.118096);(171.0803,0.161457);(173.0596,0.513569);(181.0646,7.337785);(182.0728,3.386186);(183.0804,3.537563);(185.0597,0.491674);(186.0682,0.137193);(187.0752,0.137885);(192.0569,0.153391);(193.0651,0.633764);(193.0758,0.357519);(194.0725,1.310667);(195.0809,0.143398);(196.0514,0.34423);(197.0593,0.7395);(199.0749,0.689514);(210.0676,2.148233);(211.0753,1.253178);(212.0831,0.484389);(213.0549,0.369105);(227.0702,0.356564)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(50.0153,0.279186);(51.0229,0.214291);(53.0387,0.597019);(55.0179,0.244564);(63.023,0.791291);(65.0386,19.81441);(66.0464,0.323825);(67.0178,0.122456);(67.0542,2.376876);(68.9971,12.491046);(71.0127,0.334839);(77.0385,4.773775);(78.0463,0.68432);(79.0542,21.203857);(80.062,0.312807);(81.0335,8.330432);(83.0492,0.184425);(89.0386,2.838018);(90.0465,0.204489);(91.0542,69.05591);(92.062,1.742583);(93.0333,0.199676);(93.0699,0.163454);(94.0412,2.301537);(95.0491,50.696938);(103.0542,2.702766);(104.0617,0.16445);(105.0336,1.059906);(105.0447,7.442517);(105.0699,1.76894);(107.0491,100.0);(109.0284,1.762723);(110.0361,1.151869);(111.0441,3.021978);(115.0542,19.04352);(116.062,2.219588);(117.0331,0.174714);(117.0698,1.724456);(118.0412,2.03398);(119.0491,9.9255);(120.057,14.740596);(121.0284,7.982136);(121.0396,1.061249);(123.044,2.609666);(126.0461,0.129704);(127.0541,1.664671);(128.062,8.036663);(129.0699,5.59609);(131.0492,4.373915);(131.0855,0.294152);(132.0572,0.256169);(133.0648,0.32344);(135.0442,1.847521);(136.0518,1.750123);(139.0541,4.616322);(140.0618,2.47941);(141.0697,6.125491);(144.0571,3.482609);(145.0648,6.155376);(147.044,0.325181);(152.062,9.600805);(153.0699,17.384641);(154.0777,5.00346);(155.0491,0.233614);(155.0603,2.853353);(155.0854,2.970565);(157.0647,2.430337);(158.0727,0.626311);(159.0804,0.165711);(160.0518,0.179893);(161.0595,0.194862);(163.054,1.673933);(164.0619,4.818322);(165.0698,58.146695);(166.0776,0.823124);(168.0569,9.340889);(169.0646,2.328965);(171.0437,0.259669);(171.0552,0.236878);(171.0798,0.21725);(173.0597,0.251307);(176.0618,0.180795);(179.06,0.241782);(181.0647,15.01145);(182.0729,3.458526);(183.0805,1.744599);(185.0599,0.720206);(192.057,0.614554);(193.0646,0.52053);(193.0761,0.243094);(194.0725,1.83256);(196.0519,1.427198);(197.0593,1.489598);(199.0754,0.268899);(210.0676,2.775835);(211.0752,0.809379);(213.0545,0.302152)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(107.05,2.07444);(111.045,1.20133);(119.05,5.26762);(135.044,26.09675);(183.082,1.9704);(211.081,3.11595);(229.087,100.0);(230.094,5.04559)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(55.02,1.38384);(68.998,2.37466);(71.013,0.94002);(79.054,1.43532);(85.029,0.82319);(91.055,32.00537);(95.051,3.04163);(107.05,81.82632);(108.053,2.13026);(109.029,2.70143);(111.045,6.24441);(119.05,36.92927);(120.058,10.11862);(121.029,5.84602);(123.044,4.40466);(131.063,2.28962);(135.044,100.0);(136.05,12.89615);(141.066,4.73814);(145.06,8.42659);(147.04,1.20524);(151.035,1.49284);(153.066,3.31916);(155.082,5.42972);(157.063,1.77216);(159.078,3.09087);(161.089,1.37489);(165.068,18.16473);(169.064,1.41159);(171.044,1.35788);(173.073,2.79543);(183.079,17.41943);(187.074,2.56714);(193.066,7.12847);(201.09,2.30304);(211.078,8.75559);(212.084,0.92502);(229.087,18.65936);(230.091,1.04454)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(43.017,1.74877);(55.018,5.53559);(65.037,8.77378);(67.053,2.10359);(68.996,11.47992);(71.011,1.20507);(77.037,21.92037);(79.052,14.253);(81.032,4.82382);(91.053,57.75194);(92.059,2.54863);(93.033,1.33897);(95.049,6.81818);(105.049,3.4919);(107.049,100.0);(108.053,3.31818);(109.028,2.90345);(110.036,1.19098);(111.044,1.37315);(115.054,7.72375);(117.069,1.3802);(119.05,7.55814);(120.058,15.42636);(121.029,7.66032);(123.043,3.57294);(127.052,2.18464);(128.06,4.19662);(129.069,4.67583);(131.05,3.1561);(135.044,6.26498);(136.052,4.9401);(139.051,2.08844);(141.066,7.70613);(144.052,3.65046);(145.06,5.48273);(152.058,5.70472);(153.066,15.38055);(154.074,5.22199);(155.08,8.87245);(157.063,2.27097);(164.061,5.36998);(165.069,53.34743);(166.074,4.30937);(168.056,4.85201);(169.065,1.39077);(181.066,9.96124);(182.074,4.58069);(183.081,3.14412);(193.071,1.63953);(194.074,1.42706);(210.072,2.0303);(211.081,1.2086)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(39.021,1.84509);(41.037,2.03873);(43.017,3.87967);(51.023,5.12448);(53.039,6.15284);(55.018,12.73859);(63.021,3.35615);(65.037,60.71922);(66.042,2.21784);(67.053,5.57192);(68.996,25.33195);(71.012,1.04426);(77.036,100.0);(78.042,4.09405);(79.052,22.09544);(80.057,1.06846);(81.032,10.78147);(89.037,5.43707);(90.045,1.35408);(91.053,73.0982);(92.058,3.3852);(93.033,1.7704);(94.042,3.90041);(95.049,19.8686);(103.056,3.40456);(105.045,7.74551);(107.049,51.32088);(108.052,1.87275);(115.053,30.33887);(116.061,3.81535);(117.069,0.99585);(118.041,2.07261);(119.049,9.6888);(120.057,6.73098);(121.03,4.31743);(123.043,1.18949);(126.044,1.67566);(127.053,7.24066);(128.06,17.98755);(129.068,5.76764);(131.049,6.42462);(139.051,22.14385);(140.058,4.87414);(141.067,5.20194);(144.053,4.10788);(145.06,5.43568);(151.049,3.54772);(152.058,31.72891);(153.065,23.83126);(154.072,4.04703);(155.059,6.05671);(157.062,2.83748);(163.053,11.89488);(164.061,25.12448);(165.069,49.43983);(166.072,3.5249);(168.057,4.40318);(169.062,1.94882);(181.065,20.15906);(182.071,2.45297)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(107.047,0.1002);(119.048,1.30261);(120.057,0.2004);(121.027,0.3006);(123.044,0.2004);(135.043,18.53707);(136.049,1.50301);(141.069,0.4008);(145.065,0.9018);(153.072,0.2004);(155.084,0.3006);(157.065,0.3006);(159.079,0.8016);(160.052,0.1002);(161.094,0.2004);(163.94,0.2004);(165.067,1.50301);(166.071,0.2004);(169.064,0.2004);(171.042,0.3006);(173.093,0.1002);(181.06,0.1002);(181.953,0.1002);(182.071,0.1002);(183.079,4.00802);(184.081,0.3006);(185.062,0.1002);(187.072,0.8016);(193.063,1.40281);(194.071,0.2004);(199.073,0.1002);(201.09,1.002);(210.066,0.4008);(211.073,7.71543);(212.079,0.8016);(213.055,0.2004);(214.06,0.3006);(227.068,0.7014);(228.075,2.70541);(228.89,0.1002);(228.919,0.1002);(229.083,100.0);(229.344,0.1002);(229.417,0.1002);(229.988,0.1002);(230.087,11.22245);(231.088,0.6012)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(101.085,0.1001);(104.141,0.2002);(106.926,0.1001);(107.049,2.5025);(111.043,0.8008);(112.962,0.1001);(113.213,0.1001);(115.051,0.2002);(115.077,0.1001);(117.07,0.2002);(117.932,0.1001);(118.038,0.1001);(119.048,7.90791);(119.092,0.1001);(120.056,8.30831);(120.127,0.1001);(121.028,5.2052);(122.031,0.2002);(122.063,0.3003);(123.043,5.3053);(124.044,0.3003);(126.044,0.1001);(127.054,0.4004);(128.06,0.2002);(128.499,0.1001);(129.069,0.7007);(129.099,0.1001);(130.078,0.2002);(130.113,0.1001);(131.048,1.8018);(131.082,1.3013);(132.046,0.1001);(133.063,1.001);(133.102,0.2002);(134.145,0.1001);(134.601,0.1001);(134.919,0.1001);(135.043,100.0);(135.125,0.3003);(135.234,0.1001);(135.584,0.1001);(136.049,20.32032);(136.625,0.1001);(136.986,0.1001);(137.023,1.1011);(137.055,1.1011);(138.035,0.1001);(139.053,0.1001);(140.069,0.1001);(141.069,8.50851);(141.084,0.1001);(141.953,0.1001);(142.002,0.1001);(142.069,0.7007);(143.085,1.2012);(144.055,1.8018);(144.953,0.1001);(145.063,11.71171);(145.096,0.3003);(145.126,0.1001);(146.067,2.002);(147.042,3.003);(150.638,0.1001);(152.056,0.8008);(152.071,0.1001);(153.069,8.10811);(154.027,0.1001);(154.074,1.8018);(155.085,12.71271);(155.142,0.2002);(156.088,1.1011);(157.064,3.7037);(158.047,0.1001);(158.072,1.1011);(159.079,6.00601);(160.05,1.2012);(160.082,1.1011);(161.055,0.5005);(161.093,2.9029);(162.098,0.1001);(163.062,0.1001);(163.787,0.1001);(163.938,0.4004);(164.06,0.1001);(164.948,0.1001);(165.069,45.74575);(165.14,0.1001);(166.073,5.1051);(166.109,0.1001);(167.08,0.3003);(168.054,1.9019);(168.073,0.1001);(169.061,3.003);(169.089,0.1001);(170.066,0.6006);(171.042,3.003);(171.074,0.1001);(172.059,0.1001);(173.061,3.6036);(173.096,0.6006);(174.069,0.6006);(174.088,0.2002);(175.079,0.1001);(177.064,0.1001);(177.766,0.1001);(181.065,2.9029);(181.083,0.1001);(182.068,2.002);(182.575,0.1001);(183.078,40.14014);(183.165,0.1001);(183.248,0.1001);(184.082,4.6046);(184.977,0.1001);(185.056,1.6016);(186.066,1.8018);(186.883,0.1001);(186.964,0.1001);(187.07,6.50651);(187.277,0.1001);(188.072,0.8008);(193.062,15.71572);(194.069,3.1031);(195.042,0.1001);(195.071,0.2002);(195.865,0.1001);(196.047,0.6006);(197.058,1.2012);(198.069,0.2002);(199.073,3.4034);(199.142,0.1001);(200.08,1.1011);(201.089,5.80581);(201.157,0.1001);(202.09,0.8008);(209.059,0.9009);(210.065,5.4054);(210.14,0.1001);(210.948,0.1001);(211.073,40.84084);(211.119,0.1001);(211.171,0.1001);(211.508,0.1001);(211.728,0.1001);(211.966,0.1001);(212.022,0.1001);(212.078,7.70771);(212.172,0.1001);(213.057,2.3023);(213.083,0.2002);(214.061,5.2052);(214.143,0.2002);(215.064,0.4004);(215.953,0.1001);(216.016,0.1001);(219.046,0.1001);(225.02,0.2002);(226.077,0.1001);(227.0,0.1001);(227.068,7.90791);(227.338,0.1001);(228.075,8.90891);(228.145,0.1001);(229.083,93.19319);(229.182,0.3003);(229.289,0.1001);(230.086,12.51251);(230.155,0.1001);(231.055,0.2002);(231.084,0.8008);(231.117,0.1001);(249.013,0.1001);(250.933,0.1001);(279.052,0.1001);(281.758,0.1001);(286.037,0.1001);(317.059,0.1001);(322.527,0.1001);(323.915,0.1001);(330.37,0.1001);(347.239,0.1001);(364.976,0.1001);(393.336,0.1001);(597.376,0.1001);(990.99,0.2002)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(103.223,0.1001);(105.067,0.1001);(107.048,2.8028);(108.05,0.1001);(110.032,0.1001);(115.054,3.7037);(116.075,0.1001);(117.031,0.1001);(117.065,0.9009);(117.078,0.1001);(117.934,0.1001);(119.048,4.2042);(120.036,0.1001);(120.057,12.01201);(121.029,6.70671);(121.063,0.5005);(122.027,0.2002);(123.044,5.4054);(124.01,0.1001);(124.055,0.2002);(126.042,0.1001);(126.787,0.1001);(127.053,1.5015);(128.061,1.8018);(129.068,3.1031);(129.116,0.1001);(130.076,0.8008);(131.048,2.8028);(131.087,1.9019);(131.927,0.1001);(132.055,0.9009);(132.086,0.4004);(133.065,0.9009);(134.036,0.1001);(134.065,0.3003);(134.436,0.1001);(135.043,36.13613);(136.05,17.01702);(137.02,0.6006);(137.042,0.1001);(137.057,1.1011);(139.055,1.5015);(139.729,0.1001);(140.058,0.5005);(141.069,14.11411);(142.072,1.2012);(143.064,0.1001);(144.055,4.1041);(144.111,0.3003);(145.064,10.11011);(145.079,0.1001);(145.096,0.3003);(145.923,0.1001);(146.074,0.9009);(146.923,0.1001);(146.956,0.1001);(147.045,2.7027);(147.651,0.1001);(148.049,0.1001);(150.065,0.1001);(151.057,0.5005);(152.061,4.3043);(152.918,0.1001);(153.069,22.52252);(154.075,7.70771);(155.084,20.82082);(155.122,0.1001);(156.088,1.5015);(156.741,0.1001);(156.948,0.1001);(157.064,6.60661);(158.073,2.9029);(159.078,5.2052);(159.097,0.2002);(160.052,2.8028);(161.023,0.1001);(161.06,2.3023);(163.05,0.7007);(163.582,0.1001);(163.934,0.1001);(163.98,0.1001);(164.065,1.001);(164.925,0.1001);(164.971,0.1001);(165.069,100.0);(165.15,0.4004);(165.186,0.3003);(165.21,0.1001);(165.248,0.1001);(165.748,0.1001);(166.071,14.61461);(167.067,0.6006);(168.054,9.40941);(168.986,0.1001);(169.063,4.5045);(170.07,0.7007);(171.044,1.3013);(171.077,0.6006);(172.044,0.5005);(172.086,0.4004);(173.061,3.2032);(173.091,0.1001);(174.056,0.1001);(174.09,0.2002);(175.045,0.1001);(176.064,0.1001);(177.951,0.1001);(179.047,0.1001);(181.063,13.61361);(182.071,9.70971);(182.14,0.2002);(183.079,27.02703);(184.083,4.7047);(184.105,0.1001);(185.059,1.3013);(185.132,0.1001);(186.066,2.1021);(187.071,2.8028);(188.081,0.2002);(188.101,0.2002);(192.055,0.7007);(192.463,0.1001);(193.064,10.21021);(194.068,5.2052);(194.139,0.1001);(195.074,1.5015);(196.047,1.001);(197.057,2.1021);(197.093,0.1001);(198.062,0.9009);(199.074,6.10611);(200.079,1.001);(201.086,2.1021);(202.092,0.1001);(209.055,1.4014);(210.065,9.80981);(210.096,0.1001);(210.152,0.2002);(210.869,0.1001);(211.074,19.71972);(211.149,0.1001);(211.281,0.1001);(211.314,0.1001);(212.08,7.10711);(212.164,0.1001);(213.055,3.4034);(214.06,3.003);(215.069,0.1001);(219.049,0.1001);(226.057,0.3003);(227.068,4.3043);(227.092,0.1001);(227.17,0.1001);(228.075,4.9049);(228.141,0.1001);(229.083,6.40641);(230.086,0.8008);(230.93,0.1001);(231.093,0.3003);(240.057,0.1001);(241.572,0.1001);(252.355,0.1001);(256.936,0.1001);(263.904,0.1001);(276.579,0.1001);(290.046,0.1001);(313.102,0.1001);(357.678,0.1001);(370.852,0.1001);(385.85,0.1001);(424.196,0.1001);(491.078,0.1001);(535.609,0.1001);(565.663,0.2002);(573.603,0.1001)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(60.220776,0.134642);(64.280273,0.127802);(65.910385,0.130153);(81.323875,0.169873);(91.05423,3.856885);(93.120132,0.149254);(95.049141,0.643815);(107.049164,23.879437);(109.813347,0.169879);(111.04409,5.270929);(113.590874,0.130109);(119.049278,19.689465);(121.028473,0.505803);(123.043945,0.42262);(135.044235,100.0);(136.052536,0.219835);(141.070099,1.349746);(145.064987,3.20493);(147.043839,0.158162);(153.069031,0.294111);(155.085648,0.351388);(157.065216,1.493006);(159.080612,1.145301);(160.051727,0.145633);(161.060349,0.185056);(165.070206,2.406933);(167.086166,0.364797);(169.065765,0.533586);(171.044235,1.458262);(173.059967,0.894823);(183.080933,12.767981);(187.075821,2.701839);(193.065308,6.260988);(199.076065,0.699959);(200.076599,0.210216);(201.091629,2.513478);(208.38916,0.137191);(210.943451,0.184885);(211.075897,26.358936);(212.078384,0.372356);(214.062592,0.195412);(220.371414,0.15402);(220.561447,0.156456);(228.703674,0.329581);(228.82399,0.153644);(229.086441,71.9645);(229.238785,0.262015);(229.468933,0.220754)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(63.179482,0.104743);(66.242287,0.102845);(66.976196,0.10784);(68.077431,0.116467);(79.05468,0.12359);(84.483803,0.102692);(89.674995,0.110081);(91.054161,4.945178);(93.181625,0.106183);(95.049171,0.766043);(107.049141,25.191824);(109.813118,0.148293);(110.599548,0.116115);(110.802231,0.10197);(111.044052,5.835648);(114.110519,0.102426);(119.04924,20.637324);(121.028526,0.46148);(123.044571,0.400737);(123.562576,0.119489);(128.284027,0.112139);(135.044205,100.0);(135.218719,0.252116);(136.052139,0.332957);(141.069977,1.486163);(143.395157,0.106391);(145.064941,3.265127);(146.705429,0.105252);(147.045135,0.1519);(153.069992,0.333943);(155.085297,0.341875);(157.065033,1.477866);(157.359604,0.110583);(159.080582,1.278202);(161.096588,0.25842);(165.070206,2.86513);(166.922165,0.139956);(167.085846,0.665839);(167.673721,0.10562);(169.065445,0.466816);(171.044296,1.343689);(173.059937,0.883925);(174.443344,0.107014);(183.080872,13.660514);(185.061081,0.203546);(187.075668,2.772765);(187.342789,0.10735);(193.065262,6.212861);(194.717896,0.119885);(199.075348,0.45579);(201.091507,2.474963);(211.075806,25.312733);(212.079742,0.447449);(214.066177,0.153034);(228.93541,0.150386);(229.086395,21.823774);(230.090134,0.249255)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(62.575977,0.110916);(77.038963,0.15621);(90.432228,0.125979);(91.054169,4.037531);(95.049095,0.82324);(97.368492,0.126415);(107.04911,25.523056);(111.044037,5.440446);(112.981522,0.10432);(119.04921,20.802527);(119.474098,0.11195);(120.056564,0.144038);(121.028488,0.525903);(123.043228,0.361152);(124.96386,0.12609);(130.109299,0.115047);(133.233856,0.107955);(135.044159,100.0);(135.218033,0.241248);(136.051498,0.36744);(141.070007,1.612766);(145.064957,3.364498);(147.044312,0.197129);(153.070282,0.313384);(155.085999,0.447984);(156.183884,0.109948);(157.064941,1.460712);(159.080765,1.413367);(160.052429,0.164151);(161.096451,0.26132);(165.070068,3.138805);(167.085083,0.536505);(169.064651,0.505378);(171.04422,1.286678);(173.05986,1.024702);(183.080841,13.177947);(185.059784,0.296785);(187.075607,2.801538);(188.906525,0.111073);(193.065155,6.667911);(199.076233,0.523819);(200.066086,0.104979);(201.09137,2.431242);(202.124451,0.11514);(211.075714,25.756138);(212.079376,0.388364);(214.062149,0.331368);(229.086411,7.858455);(230.088516,0.192793);(233.189224,0.107975);(242.167465,0.109405);(243.359268,0.124957);(249.449829,0.104058)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(61.505329,0.105065);(65.238564,0.134534);(73.376846,0.105095);(91.054115,4.747771);(93.033371,0.151377);(95.04921,0.934616);(98.839142,0.121115);(107.049072,26.461093);(111.043991,5.672826);(112.107101,0.102897);(119.049179,20.692184);(119.221344,0.116545);(121.028816,0.587558);(123.044136,0.509018);(135.044113,100.0);(135.219437,0.284908);(136.051605,0.389742);(138.934464,0.121782);(141.069702,1.57891);(145.06485,3.48961);(147.043182,0.201265);(153.069901,0.342517);(155.085861,0.42417);(157.065002,1.400704);(159.080612,1.396201);(160.051743,0.152888);(161.095093,0.198668);(161.244751,0.104082);(163.809387,0.117249);(165.070129,3.113181);(167.08522,0.560844);(169.064697,0.462547);(171.044205,1.365506);(173.060349,0.902601);(176.465836,0.110228);(182.760071,0.103742);(183.08075,13.646118);(185.058777,0.291048);(187.075638,2.86326);(193.065063,6.403246);(199.075226,0.523663);(201.091324,2.436028);(211.075623,25.782489);(211.210373,0.142785);(212.078201,0.362688);(212.333389,0.11486);(214.064407,0.209626);(234.161484,0.12167)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(48.190304,0.702106);(55.623405,1.043129);(57.351089,0.902708);(59.253712,0.762287);(62.088985,0.722166);(62.51944,0.742227);(67.491493,0.702106);(67.789413,0.962889);(71.240753,0.862588);(71.267632,1.564694);(71.582176,0.722166);(73.627586,0.742227);(79.087524,1.023069);(82.202713,1.08325);(83.178223,0.842528);(91.007088,0.742227);(91.053101,1.12337);(92.060097,1.323972);(92.996277,0.842528);(107.049576,12.998997);(108.05558,1.845537);(118.949493,0.822467);(119.049355,4.39318);(120.056473,1.203611);(121.026535,1.584754);(121.064377,0.822467);(122.069427,0.862588);(128.062958,0.862588);(128.938461,0.842528);(129.07251,1.14343);(131.045517,0.742227);(133.066086,1.745236);(134.994675,0.822467);(135.044464,19.638917);(135.656845,0.541625);(135.979263,0.782347);(136.051437,3.28987);(136.072113,0.842528);(137.053665,1.965898);(141.069489,1.003009);(142.072922,0.862588);(144.057922,0.782347);(145.066681,2.567703);(145.936417,0.682046);(145.964142,1.364092);(147.043716,0.722166);(148.102371,0.882648);(151.056519,1.504514);(152.059372,0.802407);(153.072922,2.507523);(154.076645,0.962889);(155.085281,1.985958);(156.085159,0.862588);(156.538681,1.023069);(157.038818,0.682046);(157.062424,0.942828);(158.069412,0.742227);(159.083328,1.484453);(159.252701,0.722166);(160.052399,0.942828);(161.488327,0.742227);(163.939285,0.682046);(165.070572,9.889669);(166.075699,1.444333);(167.108246,0.762287);(168.055359,2.387161);(169.053802,0.822467);(170.07753,0.922768);(173.059723,0.782347);(178.482208,0.822467);(178.857315,0.842528);(181.06514,2.006018);(182.073425,2.868606);(183.08165,3.30993);(184.085159,1.745236);(185.060883,0.842528);(186.969955,1.16349);(187.076279,1.544634);(188.021774,0.982949);(192.052185,0.842528);(193.068909,3.751254);(193.857513,0.762287);(193.899078,1.183551);(194.06749,0.882648);(196.058456,0.722166);(196.083542,0.742227);(197.055298,0.822467);(198.061691,1.12337);(201.092072,1.243731);(201.20842,1.10331);(208.975113,0.862588);(210.076385,0.842528);(211.07605,5.636911);(212.111389,0.782347);(212.671188,0.862588);(227.077332,0.882648);(228.079803,2.487462);(229.054459,0.882648);(229.08699,100.0);(229.225128,0.982949);(229.356186,1.10331);(230.089569,11.394183);(231.091919,3.711133);(231.381683,0.862588);(231.420578,0.782347);(231.607254,0.722166);(231.940552,0.702106);(256.099792,1.003009);(284.104431,0.842528);(350.257782,0.742227);(1529.303955,0.702106);(1542.931641,1.003009);(1607.847778,1.14343);(1687.752075,0.842528);(1735.700928,0.902708);(1768.650146,1.183551);(1818.311279,0.842528);(1842.476929,0.722166)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(45.325607,9.245742);(46.675411,9.975669);(47.212883,10.218978);(49.117722,9.002433);(49.166557,9.002433);(50.881176,5.839416);(51.712284,9.245742);(51.743778,2.676399);(51.991772,9.489051);(52.155514,9.489051);(54.118534,2.676399);(54.332527,3.649635);(56.492691,12.408759);(56.837303,9.489051);(56.912357,13.625304);(60.186531,7.055961);(62.129078,10.705596);(63.341404,8.029197);(63.938435,6.569343);(64.110435,7.542579);(71.607239,9.975669);(72.655312,11.922141);(75.338173,11.922141);(75.957932,4.379562);(76.180138,3.892944);(80.151558,10.462287);(89.308914,6.569343);(89.902405,9.73236);(90.956665,12.16545);(91.053047,11.678832);(92.500755,4.136253);(93.218086,13.138686);(94.276093,8.029197);(94.608795,12.16545);(94.912987,8.759124);(95.013847,9.245742);(96.150269,9.489051);(98.619202,10.705596);(100.695564,15.085158);(103.060287,10.948905);(103.945,4.379562);(106.066154,10.218978);(107.015305,9.489051);(107.04911,66.909976);(107.157425,1.946472);(107.644226,4.136253);(108.053497,9.489051);(109.023949,12.408759);(109.685837,12.16545);(110.036316,9.245742);(111.042877,13.625304);(111.551033,5.839416);(113.22007,8.272506);(114.458153,3.406326);(115.05204,11.678832);(115.179024,4.136253);(115.827171,10.705596);(117.038475,8.759124);(117.071358,12.652068);(119.048492,17.274939);(120.05571,42.335766);(120.955223,7.29927);(120.977119,9.245742);(121.025284,9.73236);(123.048141,10.462287);(126.449371,15.571776);(127.050743,13.138686);(128.063736,11.678832);(128.629715,5.352798);(129.067749,9.489051);(129.500275,8.272506);(130.77179,3.892944);(131.054184,10.948905);(131.090652,7.785888);(135.046051,13.138686);(135.866608,6.326034);(136.052505,29.683698);(139.054276,19.708029);(140.060593,9.245742);(140.270325,3.649635);(141.06955,12.408759);(141.486969,3.649635);(143.058609,9.489051);(144.057739,13.625304);(144.876007,1.946472);(145.064972,13.381995);(146.235138,7.785888);(150.934494,9.975669);(152.062271,31.386861);(153.067566,25.060827);(154.065857,10.218978);(154.196823,1.703163);(155.084747,18.978102);(157.061249,12.16545);(158.066559,8.759124);(159.202179,4.379562);(160.052155,12.16545);(163.056137,11.192214);(164.063049,8.029197);(165.068863,100.0);(166.069809,29.683698);(166.825394,3.649635);(167.085144,9.73236);(168.053772,29.19708);(168.234573,2.43309);(169.058609,18.248175);(171.078537,7.785888);(172.045731,10.218978);(173.057343,13.138686);(181.063004,38.686131);(181.733551,15.085158);(181.800644,3.163017);(182.065109,9.489051);(183.031845,9.975669);(183.080322,10.705596);(183.20961,1.946472);(184.634842,8.759124);(186.103592,13.868613);(193.063004,18.978102);(193.972427,2.189781);(194.074661,7.785888);(194.094421,9.489051);(194.205353,4.86618);(195.157898,6.326034);(195.219086,5.109489);(196.048508,8.515815);(196.093277,10.218978);(196.561798,7.785888);(197.05603,5.596107);(197.520111,1.216545);(198.060364,9.489051);(200.040085,7.055961);(200.085129,8.272506);(200.913712,2.189781);(210.069443,23.600973);(211.075104,8.759124);(212.058441,11.678832);(212.084534,8.759124);(213.056671,7.542579);(216.009842,3.406326);(216.17662,3.649635);(228.076859,9.245742);(229.081924,10.462287);(240.826904,5.596107);(293.136902,7.542579);(757.350952,5.596107);(819.029663,12.16545);(901.822754,4.622871);(980.76947,7.055961);(991.194153,1.216545);(1011.294067,1.216545);(1033.667969,5.109489);(1043.346924,2.919708);(1127.662842,6.326034);(1140.383667,9.002433);(1152.089478,10.218978);(1153.954834,14.59854);(1206.375732,12.408759);(1239.492798,13.138686);(1278.510986,9.002433);(1297.174927,10.462287);(1298.078369,13.625304);(1304.8927,8.759124);(1308.086914,7.785888);(1327.97998,3.406326);(1343.488892,6.812652);(1349.03186,8.759124);(1374.924438,11.922141);(1385.202148,12.16545);(1385.254028,5.596107);(1411.064087,11.678832);(1434.985352,8.272506)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(77.038551,6.765297);(79.055313,13.386958);(91.055702,25.955185);(92.060608,2.341281);(94.040131,2.714737);(95.046997,12.826774);(97.568214,2.010916);(105.04538,10.830221);(107.049477,100.0);(108.054123,12.611319);(109.030502,2.427463);(115.05304,16.31715);(117.033455,2.341281);(117.071259,2.312554);(119.049118,6.952025);(120.055779,32.4763);(121.030479,17.451882);(121.0597,2.513646);(123.044601,9.896581);(126.049553,1.335823);(127.052895,5.185292);(128.060822,6.147659);(129.071503,5.587475);(132.055099,2.326918);(132.97963,5.099109);(133.063721,2.168917);(135.044067,66.848607);(136.049835,6.937662);(139.052078,1.580006);(141.069046,16.417696);(144.057281,1.436369);(145.06369,24.360816);(147.04718,2.283826);(147.147339,1.47946);(150.042007,2.355645);(151.040771,2.326918);(152.061264,10.298765);(153.068481,26.256823);(154.078278,4.294743);(155.051178,10.973858);(155.085938,14.507325);(156.08815,2.614191);(158.07222,1.680552);(160.035004,3.23183);(161.059921,1.982189);(161.09671,2.168917);(164.0672,8.345303);(164.669907,2.556737);(165.017029,3.404194);(165.070068,83.539213);(165.342682,2.456191);(166.045883,4.696926);(166.071655,12.324045);(168.055237,12.094226);(169.023239,3.045102);(169.068832,6.779661);(173.099152,1.896007);(174.102753,3.935651);(179.056931,1.982189);(181.03717,5.070382);(181.062302,22.177535);(182.069443,6.162022);(183.080032,15.053146);(184.09082,6.205113);(185.062714,3.145648);(186.06218,7.612755);(186.594162,1.278368);(187.075409,3.562195);(191.69194,2.384372);(193.071121,9.709853);(194.068848,4.266016);(195.082367,4.826199);(199.076614,6.219477);(201.092026,2.068371);(210.054123,5.458202);(211.078293,13.329503);(212.077805,4.366561);(214.064316,3.978742);(228.079346,2.542373);(229.086319,82.332663);(230.060791,1.608733);(230.091507,10.169492);(231.854965,3.002011);(1611.939331,3.77765);(1679.018921,3.806377);(1777.703491,3.088193);(1966.180298,4.941109)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.05,2.07);(111.045,1.2);(119.05,5.27);(135.044,26.1);(183.082,1.97);(211.081,3.12);(229.087,100.0);(230.094,5.05)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0542,4.95);(107.0491,25.19);(111.0441,5.84);(119.0492,20.64);(135.0442,100.0);(141.07,1.49);(145.0649,3.27);(157.065,1.48);(159.0806,1.28);(165.0702,2.87);(171.0443,1.34);(183.0809,13.66);(187.0757,2.77);(193.0653,6.21);(201.0915,2.48);(211.0758,25.31);(229.0864,21.82)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0542,3.86);(107.0492,23.88);(111.0441,5.27);(119.0493,19.69);(135.0442,100.0);(141.0701,1.35);(145.065,3.2);(157.0652,1.49);(159.0806,1.15);(165.0702,2.41);(171.0442,1.46);(183.0809,12.77);(187.0758,2.7);(193.0653,6.26);(201.0916,2.51);(211.0759,26.36);(229.0864,71.96)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03691,3.7);(82.53812,1.6);(91.05396,5.81);(92.06064,1.5);(95.04497,1.5);(105.03121,1.2);(107.04733,23.02);(108.047,1.0);(109.02824,2.9);(119.04758,9.71);(120.05897,1.6);(121.02915,4.7);(127.05538,1.5);(129.07626,1.4);(131.04854,1.1);(133.06383,1.2);(134.02669,1.0);(135.04414,29.13);(136.04346,2.3);(136.78336,1.1);(142.69221,1.0);(145.06586,3.8);(147.04402,1.5);(148.0244,1.1);(151.04822,2.1);(152.06212,1.2);(153.06505,7.11);(154.0735,1.3);(157.05797,4.6);(159.07399,1.3);(160.0873,1.1);(165.07031,6.41);(166.067,1.3);(171.04373,1.1);(181.06134,1.9);(183.07927,7.41);(193.06775,2.2);(199.08554,1.3);(210.06644,1.4);(211.07564,4.7);(213.05215,1.9);(227.0815,2.1);(228.07678,5.31);(229.0854,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.02,1.38);(68.998,2.37);(79.054,1.44);(91.055,32.01);(95.051,3.04);(107.05,81.83);(108.053,2.13);(109.029,2.7);(111.045,6.24);(119.05,36.93);(120.058,10.12);(121.029,5.85);(123.044,4.4);(131.063,2.29);(135.044,100.0);(136.05,12.9);(141.066,4.74);(145.06,8.43);(147.04,1.21);(151.035,1.49);(153.066,3.32);(155.082,5.43);(157.063,1.77);(159.078,3.09);(161.089,1.37);(165.068,18.16);(169.064,1.41);(171.044,1.36);(173.073,2.8);(183.079,17.42);(187.074,2.57);(193.066,7.13);(201.09,2.3);(211.078,8.76);(229.087,18.66);(230.091,1.04)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.021,1.85);(41.037,2.04);(43.017,3.88);(51.023,5.12);(53.039,6.15);(55.018,12.74);(63.021,3.36);(65.037,60.72);(66.042,2.22);(67.053,5.57);(68.996,25.33);(71.012,1.04);(77.036,100.0);(78.042,4.09);(79.052,22.1);(80.057,1.07);(81.032,10.78);(89.037,5.44);(90.045,1.35);(91.053,73.1);(92.058,3.39);(93.033,1.77);(94.042,3.9);(95.049,19.87);(103.056,3.4);(105.045,7.75);(107.049,51.32);(108.052,1.87);(115.053,30.34);(116.061,3.82);(118.041,2.07);(119.049,9.69);(120.057,6.73);(121.03,4.32);(123.043,1.19);(126.044,1.68);(127.053,7.24);(128.06,17.99);(129.068,5.77);(131.049,6.42);(139.051,22.14);(140.058,4.87);(141.067,5.2);(144.053,4.11);(145.06,5.44);(151.049,3.55);(152.058,31.73);(153.065,23.83);(154.072,4.05);(155.059,6.06);(157.062,2.84);(163.053,11.89);(164.061,25.12);(165.069,49.44);(166.072,3.52);(168.057,4.4);(169.062,1.95);(181.065,20.16);(182.071,2.45)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.02,1.2);(68.998,2.2);(79.054,1.3);(91.055,31.93);(95.051,2.9);(107.05,81.78);(108.053,2.0);(109.029,2.6);(111.045,6.11);(119.05,36.84);(120.058,10.01);(121.029,5.71);(123.044,4.3);(131.063,2.1);(135.044,100.0);(136.05,12.71);(141.066,4.6);(145.06,8.31);(147.04,1.1);(151.035,1.3);(153.066,3.2);(155.082,5.31);(157.063,1.6);(159.078,2.9);(161.089,1.2);(165.068,18.02);(169.064,1.3);(171.044,1.2);(173.073,2.6);(183.079,17.32);(187.074,2.4);(193.066,7.01);(201.09,2.2);(211.078,8.61);(229.087,18.52)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0386,6.8);(67.0542,1.52);(68.9971,6.88);(77.0385,1.72);(79.0542,11.67);(81.0335,5.12);(89.0386,1.02);(91.0542,52.4);(95.0491,19.85);(103.0542,1.26);(105.0447,3.13);(105.07,1.33);(107.0491,100.0);(109.0284,2.92);(110.0362,1.32);(111.044,2.49);(115.0542,6.99);(117.0698,1.55);(119.0491,7.28);(120.057,15.7);(121.0284,6.83);(123.044,3.46);(128.062,2.55);(129.0698,3.68);(131.0492,2.24);(135.044,4.35);(136.0518,3.67);(141.0697,5.29);(144.057,2.26);(145.0648,4.18);(152.062,2.73);(153.0699,11.84);(154.0777,3.87);(155.0604,1.33);(155.0855,5.63);(157.0647,2.0);(164.0618,1.15);(165.0698,44.27);(168.0568,4.66);(169.0646,1.08);(181.0646,7.34);(182.0728,3.39);(183.0804,3.54);(194.0725,1.31);(210.0676,2.15);(211.0753,1.25)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.05,1.9);(111.045,1.1);(119.05,5.11);(135.044,25.93);(183.082,1.8);(211.081,3.0);(229.087,100.0);(230.094,4.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.017,1.75);(55.018,5.54);(65.037,8.77);(67.053,2.1);(68.996,11.48);(71.011,1.21);(77.037,21.92);(79.052,14.25);(81.032,4.82);(91.053,57.75);(92.059,2.55);(93.033,1.34);(95.049,6.82);(105.049,3.49);(107.049,100.0);(108.053,3.32);(109.028,2.9);(110.036,1.19);(111.044,1.37);(115.054,7.72);(117.069,1.38);(119.05,7.56);(120.058,15.43);(121.029,7.66);(123.043,3.57);(127.052,2.18);(128.06,4.2);(129.069,4.68);(131.05,3.16);(135.044,6.26);(136.052,4.94);(139.051,2.09);(141.066,7.71);(144.052,3.65);(145.06,5.48);(152.058,5.7);(153.066,15.38);(154.074,5.22);(155.08,8.87);(157.063,2.27);(164.061,5.37);(165.069,53.35);(166.074,4.31);(168.056,4.85);(169.065,1.39);(181.066,9.96);(182.074,4.58);(183.081,3.14);(193.071,1.64);(194.074,1.43);(210.072,2.03);(211.081,1.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.048,2.8);(115.054,3.7);(119.048,4.2);(120.057,12.01);(121.029,6.71);(123.044,5.41);(127.053,1.5);(128.061,1.8);(129.068,3.1);(131.048,2.8);(135.043,36.14);(136.05,17.02);(137.057,1.1);(139.055,1.5);(141.069,14.11);(142.072,1.2);(144.055,4.1);(145.064,10.11);(147.045,2.7);(152.061,4.3);(153.069,22.52);(154.075,7.71);(155.084,20.82);(156.088,1.5);(157.064,6.61);(158.073,2.9);(159.078,5.21);(160.052,2.8);(161.06,2.3);(164.065,1.0);(165.069,100.0);(166.071,14.61);(168.054,9.41);(169.063,4.5);(171.044,1.3);(173.061,3.2);(181.063,13.61);(182.071,9.71);(183.079,27.03);(184.083,4.7);(185.059,1.3);(186.066,2.1);(187.071,2.8);(193.064,10.21);(194.068,5.21);(195.074,1.5);(196.047,1.0);(197.057,2.1);(199.074,6.11);(200.079,1.0);(201.086,2.1);(209.055,1.4);(210.065,9.81);(211.074,19.72);(212.08,7.11);(213.055,3.4);(214.06,3.0);(227.068,4.3);(228.075,4.9);(229.083,6.41)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0567,100.0);(116.048,29.53);(117.0358,53.05);(119.0536,30.13)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.05166,1.9);(135.04471,7.01);(136.05054,1.0);(183.07768,1.4);(211.07738,2.6);(228.08076,8.21);(229.08714,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0541,4.75);(107.0491,26.46);(111.044,5.67);(119.0492,20.69);(135.0441,100.0);(141.0697,1.58);(145.0649,3.49);(157.065,1.4);(159.0806,1.4);(165.0701,3.11);(171.0442,1.37);(183.0807,13.65);(187.0756,2.86);(193.0651,6.4);(201.0913,2.44);(211.0756,25.78)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0542,4.04);(107.0491,25.52);(111.044,5.44);(119.0492,20.8);(135.0442,100.0);(141.07,1.61);(145.065,3.36);(157.0649,1.46);(159.0808,1.41);(165.0701,3.14);(171.0442,1.29);(173.0599,1.02);(183.0808,13.18);(187.0756,2.8);(193.0652,6.67);(201.0914,2.43);(211.0757,25.76);(229.0864,7.86)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.021,1.7);(41.037,1.9);(43.017,3.7);(51.023,5.01);(53.039,6.01);(55.018,12.61);(63.021,3.2);(65.037,60.66);(66.042,2.1);(67.053,5.41);(68.996,25.23);(77.036,100.0);(78.042,3.9);(79.052,21.92);(81.032,10.61);(89.037,5.31);(90.045,1.2);(91.053,72.97);(92.058,3.2);(93.033,1.6);(94.042,3.8);(95.049,19.72);(103.056,3.3);(105.045,7.61);(107.049,51.25);(108.052,1.7);(115.053,30.23);(116.061,3.7);(118.041,1.9);(119.049,9.51);(120.057,6.61);(121.03,4.2);(123.043,1.0);(126.044,1.5);(127.053,7.11);(128.06,17.82);(129.068,5.61);(131.049,6.31);(139.051,22.02);(140.058,4.7);(141.067,5.11);(144.053,4.0);(145.06,5.31);(151.049,3.4);(152.058,31.63);(153.065,23.72);(154.072,3.9);(155.059,5.91);(157.062,2.7);(163.053,11.71);(164.061,25.03);(165.069,49.35);(166.072,3.4);(168.057,4.3);(169.062,1.8);(181.065,20.02);(182.071,2.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0574,100.0);(117.037,50.65);(119.0513,30.83);(143.0515,60.76)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03765,21.56);(91.0527,25.15);(107.04297,100.0);(115.05128,21.56);(119.04123,25.15);(128.06075,21.56);(145.05748,25.15);(155.09293,50.3);(165.06529,25.15);(171.05061,21.56);(197.05533,21.56);(211.07458,50.3);(229.09227,50.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.049,2.5);(119.048,7.91);(120.056,8.31);(121.028,5.21);(123.043,5.31);(131.048,1.8);(133.063,1.0);(135.043,100.0);(136.049,20.32);(137.023,1.1);(141.069,8.51);(143.085,1.2);(144.055,1.8);(145.063,11.71);(146.067,2.0);(147.042,3.0);(153.069,8.11);(154.074,1.8);(155.085,12.71);(156.088,1.1);(157.064,3.7);(158.072,1.1);(159.079,6.01);(160.05,1.2);(161.093,2.9);(165.069,45.75);(166.073,5.11);(168.054,1.9);(169.061,3.0);(171.042,3.0);(173.061,3.6);(181.065,2.9);(182.068,2.0);(183.078,40.14);(184.082,4.6);(185.056,1.6);(186.066,1.8);(187.07,6.51);(193.062,15.72);(194.069,3.1);(197.058,1.2);(199.073,3.4);(200.08,1.1);(201.089,5.81);(210.065,5.41);(211.073,40.84);(212.078,7.71);(213.057,2.3);(214.061,5.21);(227.068,7.91);(228.075,8.91);(229.083,93.19);(230.086,12.51)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0464,48.16);(111.046,15.92);(119.0465,18.37);(135.0408,100.0);(135.047,11.84);(211.0759,21.22);(229.082,71.02);(229.1235,10.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0491,3.09);(111.044,1.26);(119.0491,5.99);(135.044,19.37);(183.0804,1.83);(211.0753,3.46);(229.0857,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.048,1.3);(135.043,18.54);(136.049,1.5);(165.067,1.5);(183.079,4.01);(193.063,1.4);(201.09,1.0);(211.073,7.72);(228.075,2.71);(229.083,100.0);(230.087,11.22)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(66.04579,5.1);(77.03514,3.7);(78.04035,4.5);(78.58463,3.3);(91.05278,22.1);(91.9973,3.4);(97.02364,6.9);(107.04913,100.0);(108.05537,14.0);(109.03195,3.1);(111.04352,9.4);(115.05398,4.9);(117.03642,3.6);(119.0495,19.3);(120.05605,13.7);(121.03103,5.5);(128.06418,10.7);(129.06667,5.1);(131.02811,6.7);(133.06467,5.2);(135.04276,14.8);(136.05045,5.1);(137.02327,7.6);(141.06845,23.6);(142.06871,5.2);(143.97867,4.9);(148.04823,2.5);(152.06337,4.5);(153.0728,17.9);(154.08713,3.7);(155.08525,7.0);(157.06581,3.7);(164.06212,8.5);(165.07076,82.4);(166.06679,11.9);(167.07681,3.9);(169.06087,4.8);(175.06401,4.5);(181.06606,21.2);(182.07153,17.2);(194.07614,3.7);(197.05956,6.9);(210.07439,2.8);(214.06447,2.7);(227.0634,9.9);(229.08421,2.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(92.0267,5.11);(95.0139,8.91);(108.0217,7.9);(123.0088,1.21);(136.0165,100.0);(183.0815,1.69);(227.0714,30.34)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(68.9982,1.42);(70.0061,1.07);(79.019,1.02);(82.0061,3.6);(92.0268,25.7);(95.0139,53.56);(106.0061,3.04);(108.0217,48.3);(123.0088,6.49);(136.0166,100.0);(183.0816,1.99);(227.0714,4.33)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03783,51.1);(77.04022,43.6);(105.07481,28.7);(107.05353,28.7);(139.04993,26.6);(151.05156,72.3);(152.05945,100.0);(153.07011,20.2);(163.02313,25.5);(165.07854,35.1);(181.0677,38.3);(182.07419,26.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(135.04327,6.8);(136.04871,2.1);(228.08115,5.2);(229.08542,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03691,3.7);(82.53812,1.6);(91.05396,5.8);(92.06064,1.5);(95.04497,1.5);(105.03121,1.2);(107.04733,23.0);(109.02824,2.9);(119.04758,9.7);(120.05897,1.6);(121.02915,4.7);(127.05538,1.5);(129.07626,1.4);(131.04854,1.1);(133.06383,1.2);(135.04414,29.1);(136.04346,2.3);(136.78336,1.1);(145.06586,3.8);(147.04402,1.5);(148.0244,1.1);(151.04822,2.1);(152.06212,1.2);(153.06505,7.1);(154.0735,1.3);(157.05797,4.6);(159.07399,1.3);(160.0873,1.1);(165.07031,6.4);(166.067,1.3);(171.04373,1.1);(181.06134,1.9);(183.07927,7.4);(193.06775,2.2);(199.08554,1.3);(210.06644,1.4);(211.07564,4.7);(213.05215,1.9);(227.0815,2.1);(228.07678,5.3);(229.0854,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03968,1.4);(91.05703,3.3);(95.05187,2.5);(107.04696,20.4);(108.04691,1.8);(111.04451,2.1);(117.0633,1.1);(119.04958,12.1);(120.05505,1.2);(124.04713,1.4);(128.06137,1.3);(133.07152,1.7);(135.04378,30.6);(136.04478,5.6);(137.02029,1.6);(141.07082,2.5);(144.07123,1.2);(153.06657,2.5);(159.08096,1.1);(165.06804,15.8);(166.078,1.4);(168.05692,2.9);(181.067,4.7);(182.06758,1.3);(183.08279,6.0);(193.06783,1.7);(198.05891,1.2);(211.07451,4.0);(212.08842,1.6);(227.06805,4.3);(228.0811,12.1);(229.08363,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.04649,1.5);(135.04408,10.6);(211.07475,1.4);(228.07803,11.2);(229.0851,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.05489,6.4);(93.03195,1.7);(107.04793,14.7);(111.04538,2.3);(119.04946,17.4);(120.06742,1.7);(123.04372,2.1);(135.04372,46.6);(136.04982,1.4);(145.06226,4.4);(152.06171,1.6);(155.08822,2.6);(165.06792,3.2);(183.08043,4.6);(193.06562,1.2);(194.16334,1.5);(211.07394,4.3);(229.08644,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.04581,14.1);(91.04946,18.0);(101.04111,32.0);(111.91039,25.0);(115.05282,49.2);(119.05132,29.7);(129.03732,15.6);(131.07242,38.3);(139.04707,18.8);(152.06104,100.0);(156.04961,19.5);(157.17029,15.6);(164.0672,75.8);(168.0574,18.8);(181.03137,18.8);(182.07504,18.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.51803,4.5);(65.04053,2.8);(77.03573,12.3);(79.04694,3.4);(82.04082,6.4);(91.05375,29.9);(99.30676,12.6);(103.05671,3.6);(105.03426,3.1);(107.04895,96.4);(108.04975,11.0);(110.97997,2.8);(111.55363,3.1);(115.05222,10.3);(118.04299,7.9);(119.04488,15.1);(120.05473,18.2);(123.0373,4.0);(127.05669,5.1);(128.06087,9.3);(129.07231,3.1);(130.0825,2.8);(133.03014,2.8);(134.03822,4.0);(135.04906,3.7);(136.0527,9.5);(141.07179,6.2);(145.05629,3.4);(151.04752,5.4);(152.05936,4.8);(153.06593,9.5);(154.06956,3.9);(155.08531,6.4);(165.07095,100.0);(166.07553,11.7);(168.06964,2.8);(171.05692,4.8);(181.05911,16.8);(182.07375,6.7);(183.08121,4.0);(195.08115,2.6);(199.06528,2.6);(201.1015,5.6);(210.0575,3.3);(211.06906,9.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.01681,3.6);(50.014,1.3);(51.02231,11.3);(55.01797,21.7);(63.02281,2.7);(65.03853,26.7);(67.05347,4.2);(68.99668,11.2);(75.02142,2.2);(77.03869,100.0);(78.04736,3.0);(79.05499,14.1);(81.03432,1.4);(82.04054,2.3);(87.02138,1.7);(89.03904,1.6);(91.05451,52.7);(93.03306,1.4);(94.04232,1.1);(95.04742,1.7);(103.05443,3.7);(105.06882,1.1);(107.04927,96.6);(109.0285,2.5);(115.05452,11.1);(116.06307,1.4);(118.04053,3.5);(119.05005,7.4);(120.05645,16.0);(121.02856,8.5);(127.05442,8.2);(128.06125,6.7);(129.06935,3.4);(131.0491,7.7);(132.05499,1.2);(139.05554,4.2);(141.07161,5.3);(143.04678,2.3);(144.05638,2.5);(145.06406,2.3);(151.05142,2.0);(152.06181,17.6);(153.06906,14.2);(154.07682,5.6);(155.04553,1.4);(157.0664,5.4);(163.05083,1.4);(164.06198,17.7);(165.06975,46.2);(166.07356,2.9);(168.05479,4.2);(169.06357,2.0);(181.06379,8.0);(183.07739,2.1);(199.0747,3.3);(210.06484,2.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.023,1.97);(53.0386,14.72);(55.0179,2.15);(65.0386,13.12);(67.0542,6.22);(77.0386,3.41);(80.0257,2.13);(81.0335,1.48);(94.0413,1.73);(95.0492,100.0);(98.0363,1.53);(105.0336,37.97);(108.0206,15.56);(111.044,1.35);(123.044,5.44);(136.0155,1.27);(151.039,79.77);(168.0569,1.22)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.01729,5.2);(65.03699,2.5);(68.99665,6.4);(71.01198,1.7);(77.0384,4.0);(79.054,5.4);(85.02784,5.1);(91.05381,38.5);(95.04791,3.2);(103.05535,1.9);(107.04886,100.0);(108.05597,2.1);(109.0293,2.8);(111.04318,14.5);(119.0483,28.4);(120.05695,22.6);(121.02829,9.9);(123.04275,2.1);(127.05115,2.7);(133.06252,2.5);(135.04363,65.0);(136.05025,10.2);(141.07122,5.5);(144.05624,3.2);(145.06342,4.8);(153.06864,12.9);(155.0458,1.7);(157.06513,6.5);(159.07856,3.9);(161.09504,3.8);(165.06904,23.0);(169.06422,1.4);(171.04443,1.4);(173.05736,1.6);(183.0788,15.2);(187.07615,2.8);(193.06632,4.4);(201.09392,1.6);(210.0499,2.0);(211.07624,3.0);(229.08487,9.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03096,100.0);(91.866,19.5);(104.06614,52.9);(115.05343,44.8);(116.05899,27.6);(127.05167,28.7);(139.04854,32.2);(153.0631,35.6);(157.07365,31.0);(164.05966,20.7);(227.0569,23.0);(228.08359,23.0);(229.07904,41.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02334,4.8);(67.04427,4.1);(77.03914,13.2);(79.05009,8.1);(81.03694,4.1);(89.04033,3.0);(91.054,28.5);(94.04374,3.3);(95.23363,2.5);(97.96515,5.2);(105.07031,3.3);(107.04852,100.0);(108.06127,6.6);(108.69622,3.6);(115.05836,11.1);(119.04891,2.8);(120.05438,5.9);(121.02868,9.8);(123.04288,4.5);(127.05195,4.0);(128.05656,2.8);(129.07278,4.4);(131.04555,2.8);(135.04596,5.9);(136.05396,8.8);(137.03896,3.0);(141.0692,17.1);(141.97646,4.5);(144.05885,3.4);(145.07536,6.2);(152.06441,11.3);(153.07468,42.9);(155.08432,8.3);(157.06821,13.2);(159.08366,3.0);(161.42233,4.5);(165.0687,75.5);(166.07625,12.0);(167.12666,2.6);(168.35617,2.8);(169.05426,4.5);(173.06168,8.9);(181.06314,16.9);(182.05045,7.0);(183.07611,7.0);(184.08507,2.8);(186.0643,4.1);(187.07242,3.4);(193.05414,3.2);(194.06786,2.5);(196.05544,2.5);(197.06447,5.0);(199.07449,3.4);(209.07076,3.9);(210.06551,3.7);(211.07417,5.6);(212.07411,4.7);(214.06593,7.2);(227.06693,6.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02247,1.6);(46.065,5.6);(53.03871,7.0);(55.01635,14.9);(65.03841,26.8);(66.03248,2.9);(67.05444,1.8);(68.99731,9.3);(77.03833,77.5);(79.05364,19.5);(81.03317,5.8);(83.04787,3.3);(89.03823,2.9);(91.05405,70.8);(92.0618,2.3);(94.04021,5.8);(95.04784,6.4);(103.05333,2.2);(107.04818,100.0);(109.02688,2.1);(110.03569,2.3);(114.04446,1.3);(115.05405,15.5);(116.06082,2.2);(118.04061,1.9);(119.04928,14.1);(120.05582,6.0);(121.0286,7.2);(122.95652,1.9);(127.05305,10.0);(128.06286,7.9);(129.0759,3.2);(134.03388,3.3);(135.04271,4.9);(136.04983,3.3);(139.05243,5.5);(140.06346,1.3);(141.07112,8.4);(143.04998,4.4);(144.05988,3.4);(152.06199,12.7);(153.06713,15.7);(154.07491,8.2);(155.0839,5.0);(157.06437,2.5);(164.06016,8.1);(165.06851,40.0);(181.06525,13.1);(182.07475,9.3);(183.90203,1.9);(185.05855,2.4);(192.05287,2.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,12.53);(55.0178,1.08);(65.0385,8.64);(67.0542,4.24);(77.0384,2.37);(80.0257,1.17);(94.0414,1.19);(95.0492,80.85);(98.0363,1.06);(105.0336,45.78);(108.0206,11.11);(111.0443,1.11);(123.0441,4.47);(141.0549,1.34);(151.039,100.0);(168.0574,1.04)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(158.979,1.5);(185.061,1.58);(227.068,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0529,3.6);(107.04895,10.6);(111.04304,1.1);(119.05015,10.4);(120.0562,2.5);(135.04406,24.2);(165.06992,1.7);(169.06372,1.1);(183.07897,2.7);(193.06503,2.0);(211.07547,5.0);(229.08588,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.01763,2.2);(65.03836,1.2);(67.05438,1.2);(68.99681,1.4);(77.03798,2.0);(91.05408,30.5);(95.0478,1.8);(105.07015,1.7);(107.04895,100.0);(109.02914,4.8);(111.0444,4.3);(119.04965,20.0);(120.05687,7.6);(121.02918,6.1);(123.04384,7.5);(131.04925,1.8);(135.04425,47.3);(136.05069,7.4);(137.02355,1.4);(141.07007,3.5);(145.06495,2.6);(153.06953,1.4);(155.08432,3.5);(157.06395,2.2);(159.07842,1.9);(160.05323,1.7);(165.06939,13.3);(168.05599,1.1);(171.04416,1.1);(173.06139,2.2);(183.08051,12.1);(187.07245,1.8);(193.06423,4.6);(201.0885,1.1);(210.06317,1.2);(211.07727,5.4);(214.06219,1.4);(229.08519,8.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(114.986,1.33);(117.032,1.19);(119.048,2.05);(130.981,1.05);(141.071,3.72);(143.05,26.13);(145.029,1.76);(157.066,5.43);(159.082,9.71);(181.064,3.03);(182.071,4.49);(183.078,12.47);(184.053,1.02);(185.057,51.83);(225.057,1.93);(227.071,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(92.0265,3.7);(95.0139,3.29);(108.0217,3.17);(136.0166,100.0);(183.0815,2.09);(227.0714,91.42)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,3.05);(65.0386,1.18);(77.0386,1.01);(95.0491,19.74);(105.0335,43.16);(108.0205,1.56);(123.0441,1.91);(151.039,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.0492,3.11);(105.0335,47.68);(151.039,100.0);(172.0902,1.21);(229.086,6.29)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.00314,26.02);(93.03467,2.03);(115.05461,6.17);(117.03368,9.51);(119.04951,5.59);(141.06999,5.72);(143.05228,71.81);(145.03148,5.6);(156.05936,2.23);(157.06561,12.93);(159.08252,14.04);(180.05721,2.05);(181.06616,7.81);(182.07417,9.7);(183.08307,19.46);(184.05096,2.53);(185.0634,83.36);(209.05927,1.08);(225.05052,3.05);(227.07422,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0336,10.33);(151.0391,23.86);(229.0861,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.031,1.79);(115.053,14.32);(117.032,13.41);(119.048,8.07);(141.07,2.99);(143.049,100.0);(145.029,1.49);(156.058,2.88);(157.066,4.34);(159.081,4.22);(167.05,1.79);(180.056,2.86);(181.064,6.26);(182.071,5.89);(183.075,3.65);(184.051,1.65);(185.057,8.03)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(64.999,1.12);(65.035,2.53);(89.035,1.02);(93.031,13.47);(114.045,1.3);(115.053,82.24);(116.024,2.82);(117.032,46.19);(119.048,19.64);(139.054,2.11);(141.034,4.49);(142.041,1.98);(143.05,100.0);(156.059,3.08);(157.066,2.78);(167.05,4.09);(169.065,2.0);(180.056,7.19);(181.063,3.21);(182.069,1.14);(183.042,2.51)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0336,49.65);(151.0391,100.0);(172.0905,1.93);(229.0862,94.23)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.05166,1.9);(135.04471,7.0);(183.07768,1.4);(211.07738,2.6);(228.08076,8.2);(229.08714,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0571,62.46);(117.0365,27.33);(119.0508,19.62);(143.0526,100.0);(144.0555,18.72)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.1273099625);(55.01838972,0.0885404894);(57.03403978,0.1004261423);(69.03403978,0.0687532288);(71.01330434,0.0651549041);(79.01838972,0.0478313633);(81.03403978,0.0963215097);(95.04968984,0.9320143752);(111.0446045,0.9240069782);(119.0496898,2.331061833);(135.0446045,2.311152238);(143.0496898,0.1746072509);(145.0653399,0.157692906);(149.0602545,0.1333760625);(159.0446045,0.1475135269);(159.08099,0.1344270419);(161.0602545,0.0910996106);(161.09664,0.057929189);(173.0602545,0.055142848);(175.0759046,0.1080192197);(185.0602545,0.285771561);(187.0759046,0.2941797577);(193.0653399,0.0384326215);(197.0602545,0.2720301456);(199.0395191,0.0561991524);(199.0759046,0.5253745938);(201.0551691,0.1479521003);(203.0708192,0.1128523667);(211.0759046,3.89158422);(213.0551691,0.9937194469);(229.0864693,85.22952335)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(45.03403978,0.3746764166);(51.0234751,0.3780344356);(68.99765427,0.3135096081);(71.01330434,0.2428119432);(79.01838972,0.2925497832);(81.03403978,0.3045849248);(93.03403978,0.2851522093);(95.04968984,1.963714746);(111.0446045,1.945524749);(117.0340398,0.3684744485);(119.0496898,9.210640328);(135.0446045,9.188743066);(143.0496898,2.142684449);(145.0653399,2.267583422);(149.0602545,0.4430788568);(159.0446045,0.6198132683);(161.0602545,0.3106346267);(161.09664,0.3241878551);(167.0496898,0.2391383696);(169.0289544,0.3136292411);(171.0446045,0.2617736157);(173.0602545,0.799521375);(175.0759046,0.5726576097);(185.0602545,3.304239866);(187.0759046,3.060631765);(197.0602545,0.7866618364);(199.0759046,2.182197866);(201.0551691,0.3861100492);(211.0759046,5.302418174);(213.0551691,0.7723931759);(229.0864693,51.04222792)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,7.249418202);(65.03912516,3.821141642);(77.03912516,2.269237559);(79.01838972,2.059372254);(89.03912516,4.618536301);(93.03403978,5.099864527);(95.04968984,2.263074336);(111.0446045,3.174904205);(117.0340398,4.266661556);(119.0496898,8.677598437);(127.0547752,1.444461651);(129.0704253,2.006963066);(135.0446045,9.922096139);(141.0340398,1.087990803);(143.0496898,5.751821958);(145.0653399,1.240377047);(159.0446045,3.216237907);(167.0496898,1.183184663);(169.0289544,1.634257557);(169.0653399,3.241893673);(171.0446045,1.144013407);(179.0496898,1.643687074);(181.0653399,1.414026149);(185.0602545,2.428319297);(187.0759046,1.453198478);(193.0653399,3.346606959);(197.0602545,1.790257355);(199.0759046,1.992110887);(211.0759046,7.7750456);(213.0551691,1.378531131);(229.0864693,1.405110181)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1499638841);(41.00273965,0.0728775461);(43.01838972,0.1275853843);(57.03403978,0.0252146668);(67.01838972,0.0494922534);(69.03403978,0.0208919482);(83.01330434,0.0542994242);(93.03403978,0.1700552548);(109.0289544,0.1658636258);(117.0340398,0.0256394682);(133.0289544,0.025555485);(141.0340398,0.0101926891);(143.0496898,0.0340214912);(147.0446045,0.021791026);(149.0602545,0.0107697777);(157.0289544,0.0068507589);(157.0653399,0.4571635195);(159.0446045,0.0279334706);(159.08099,0.0392901851);(171.0446045,0.0143277474);(173.0602545,0.0218580644);(183.0446045,0.1368607721);(185.0602545,0.3290258069);(191.0496898,0.0075653467);(195.0446045,0.0858863843);(197.0602545,0.1767605838);(199.0395191,0.012268766);(201.0551691,0.0838894602);(209.0602545,1.540221147);(211.0395191,0.1051466);(227.0708192,95.99073746)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.1298894876);(41.00273965,0.1023920643);(43.01838972,0.0744642817);(57.03403978,0.0439402809);(67.01838972,0.0961531092);(83.01330434,0.092402619);(93.03403978,0.5252949917);(109.0289544,0.4866189827);(117.0340398,0.1361887993);(133.0289544,0.1356138924);(141.0340398,0.0665322519);(143.0496898,0.300154301);(147.0446045,0.1609465592);(149.0602545,0.0487149215);(157.0289544,0.0402542754);(157.0653399,0.9567618834);(159.0446045,0.1536021502);(159.08099,0.299728172);(167.0496898,0.031936394);(171.0446045,0.1172713382);(173.0602545,0.1654598653);(183.0446045,1.780615942);(185.0602545,3.49574112);(195.0446045,0.9810479725);(197.023869,0.0780781603);(197.0602545,0.6767339806);(199.0395191,0.186910933);(201.0551691,0.3508120579);(209.0602545,3.524447554);(211.0395191,0.5717322871);(227.0708192,84.18955937)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,5.412190962);(43.01838972,0.8110480872);(57.03403978,0.7005554967);(63.0234751,0.9868693459);(67.01838972,1.565879035);(77.00273965,0.6714752094);(91.01838972,1.506567804);(93.03403978,7.610399858);(109.0289544,5.531078868);(117.0340398,2.21176271);(127.0547752,1.236454719);(133.0289544,1.892698941);(141.0340398,2.847608331);(143.0496898,3.928648617);(157.0653399,5.061950269);(159.0446045,1.504042703);(159.08099,1.690235507);(167.0133043,0.9783278287);(167.0496898,1.359957401);(169.0289544,3.10301055);(173.0602545,0.8441513448);(183.0446045,5.254464035);(185.0602545,10.81049739);(191.0496898,1.477959294);(195.0446045,3.00209991);(197.0602545,3.443898667);(199.0395191,0.6664642215);(201.0551691,1.623793045);(209.0602545,6.582972884);(211.0395191,3.054600683);(227.0708192,12.62833629)

Food Sources

	Name	Group
	rhubarb	Vegetables, Other vegetables	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for trans-Resveratrol