Morin
precursor
Showing entry for Morin
Identification
- PhytoHub ID
- PHUB000693
- Name
- Morin
- Systematic Name
- Not Available
- Synonyms
- 3,5,7,2',4'-Pentahydroxyflavone
- CAS Number
- Not Available
- Average Mass
- 302.238
- Monoisotopic Mass
- 302.042652662
- Chemical Formula
- C15H10O7
- IUPAC Name
- 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
- InChI Key
- YXOLAZRVSSWPPT-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
- SMILES
OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Morin
Calculated Properties
- Solubility (ALOGPS)
- 3.05e-01 g/l
- LogS (ALOGPS)
- -3.00
- LogP (ALOGPS)
- 2.23
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 1
- Polar Surface Area
- 127.45000000000002
- Refractivity
- 76.8622
- Polarizability
- 28.382718508839606
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -4.063175207638123
- pKa (strongest acidic)
- 6.368742132089664
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 75092
- PubChem
- 5281670
- Chemistry Dashboard
- DTXSID1022398
- KNApSAcK
- C00004624
- MetaboLights
- MTBLC75092
- Phenol-Explorer
- 310
- FooDB (Compounds)
- FDB002736
- PeakForestCompound
- 000546
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", "Resorcinols", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "pentahydroxyflavone"]
- 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", "Resorcinol", "Vinylogous acid"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.104);(71.0,0.105);(72.0,0.299);(76.0,0.276);(77.0,0.763);(78.0,0.109);(79.0,0.209);(80.0,0.01);(81.0,0.024);(82.0,0.012);(83.0,0.177);(84.0,0.042);(85.0,0.114);(86.0,0.036);(87.0,0.109);(88.0,0.029);(89.0,0.117);(90.0,0.033);(91.0,0.206);(92.0,0.042);(93.0,0.098);(94.0,0.018);(95.0,0.056);(96.0,0.026);(97.0,0.059);(98.0,0.026);(99.0,0.223);(100.0,0.037);(101.0,0.065);(102.0,0.039);(103.0,0.235);(104.0,0.056);(105.0,0.24);(106.0,0.028);(107.0,0.084);(108.0,0.014);(109.0,0.057);(110.0,0.029);(111.0,0.048);(112.0,0.009);(113.0,0.039);(114.0,0.012);(115.0,0.265);(116.0,0.05);(117.0,0.159);(118.0,0.033);(119.0,0.209);(120.0,0.041);(121.0,0.089);(122.0,0.023);(123.0,0.04);(124.0,0.013);(125.0,0.026);(126.0,0.025);(127.0,0.061);(128.0,0.075);(129.0,0.108);(130.0,0.024);(131.0,0.294);(132.0,0.057);(133.0,1.0);(134.0,0.145);(135.0,0.25);(136.0,0.038);(137.0,0.063);(138.0,0.019);(139.0,0.052);(140.0,0.014);(141.0,0.077);(142.0,0.02);(143.0,0.087);(144.0,0.02);(145.0,0.109);(146.0,0.031);(150.0,0.06);(151.0,0.094);(152.0,0.072);(153.0,0.057);(154.0,0.02);(155.0,0.055);(156.0,0.015);(157.0,0.054);(158.0,0.014);(159.0,0.049);(160.0,0.016);(161.0,0.074);(162.0,0.032);(163.0,0.151);(164.0,0.048);(165.0,0.171);(166.0,0.046);(167.0,0.067);(168.0,0.018);(169.0,0.043);(170.0,0.016);(171.0,0.044);(172.0,0.014);(173.0,0.029);(174.0,0.019);(175.0,0.053);(176.0,0.056);(177.0,0.16);(178.0,0.098);(179.0,0.172);(180.0,0.042);(181.0,0.071);(182.0,0.023);(183.0,0.048);(184.0,0.019);(185.0,0.039);(186.0,0.016);(187.0,0.038);(188.0,0.022);(189.0,0.14);(190.0,0.052);(191.0,0.262);(192.0,0.075);(193.0,0.392);(194.0,0.08);(195.0,0.12);(196.0,0.031);(197.0,0.036);(198.0,0.015);(199.0,0.021);(200.0,0.024);(201.0,0.038);(202.0,0.061);(203.0,0.077);(204.0,0.028);(205.0,0.078);(206.0,0.033);(207.0,0.305);(208.0,0.074);(209.0,0.19);(210.0,0.041);(211.0,0.042);(212.0,0.015);(213.0,0.028);(215.0,0.051);(216.0,0.021);(217.0,0.047);(218.0,0.023);(219.0,0.069);(220.0,0.028);(221.0,0.082);(222.0,0.036);(223.0,0.101);(224.0,0.031);(225.0,0.047);(226.0,0.019);(227.0,0.035);(228.0,0.02);(229.0,0.034);(231.0,0.031);(232.0,0.014);(233.0,0.06);(234.0,0.032);(235.0,0.099);(236.0,0.048);(237.0,0.094);(238.0,0.035);(239.0,0.061);(240.0,0.024);(241.0,0.03);(242.0,0.012);(243.0,0.022);(244.0,0.01);(245.0,0.027);(246.0,0.011);(247.0,0.043);(248.0,0.024);(249.0,0.128);(250.0,0.07);(251.0,0.119);(252.0,0.043);(253.0,0.082);(254.0,0.029);(255.0,0.035);(256.0,0.013);(257.0,0.026);(258.0,0.01);(259.0,0.025);(260.0,0.012);(261.0,0.028);(262.0,0.014);(263.0,0.052);(264.0,0.041);(265.0,0.091);(266.0,0.049);(267.0,0.081);(268.0,0.028);(269.0,0.036);(270.0,0.014);(271.0,0.029);(272.0,0.089);(273.0,0.053);(274.0,0.015);(275.0,0.032);(276.0,0.013);(277.0,0.035);(278.0,0.028);(279.0,0.055);(280.0,0.032);(281.0,0.222);(282.0,0.062);(283.0,0.06);(284.0,0.023);(285.0,0.031);(286.0,0.012);(287.0,0.02);(288.0,0.011);(289.0,0.025);(290.0,0.018);(291.0,0.042);(292.0,0.02);(293.0,0.042);(294.0,0.02);(295.0,0.069);(296.0,0.029);(297.0,0.048);(298.0,0.019);(299.0,0.028);(300.0,0.01);(301.0,0.026);(302.0,0.012);(303.0,0.024);(304.0,0.015);(305.0,0.027);(306.0,0.02);(307.0,0.042);(308.0,0.019);(309.0,0.042);(310.0,0.022);(311.0,0.041);(312.0,0.018);(313.0,0.03);(314.0,0.015);(315.0,0.024);(316.0,0.072);(317.0,0.057);(318.0,0.019);(319.0,0.023);(320.0,0.016);(321.0,0.041);(322.0,0.024);(323.0,0.069);(324.0,0.109);(325.0,0.066);(326.0,0.025);(327.0,0.036);(328.0,0.02);(329.0,0.019);(330.0,0.011);(331.0,0.047);(332.0,0.025);(333.0,0.018);(334.0,0.011);(335.0,0.025);(336.0,0.017);(337.0,0.047);(338.0,0.028);(339.0,0.052);(340.0,0.032);(341.0,0.064);(342.0,0.023);(343.0,0.027);(344.0,0.011);(345.0,0.013);(346.0,0.008);(347.0,0.019);(348.0,0.013);(349.0,0.016);(350.0,0.013);(351.0,0.029);(352.0,0.02);(353.0,0.048);(354.0,0.032);(355.0,0.057);(356.0,0.029);(357.0,0.038);(358.0,0.015);(359.0,0.017);(360.0,0.009);(361.0,0.015);(362.0,0.01);(363.0,0.015);(365.0,0.031);(366.0,0.02);(367.0,0.035);(368.0,0.023);(369.0,0.042);(370.0,0.027);(371.0,0.03);(373.0,0.02);(374.0,0.01);(375.0,0.014);(376.0,0.009);(377.0,0.024);(378.0,0.018);(379.0,0.031);(380.0,0.018);(381.0,0.037);(382.0,0.027);(383.0,0.04);(384.0,0.028);(385.0,0.041);(386.0,0.021);(387.0,0.019);(388.0,0.011);(389.0,0.014);(391.0,0.011);(392.0,0.012);(393.0,0.034);(394.0,0.024);(395.0,0.036);(396.0,0.025);(397.0,0.046);(398.0,0.03);(399.0,0.043);(400.0,0.021);(401.0,0.023);(402.0,0.01);(403.0,0.009);(405.0,0.007);(407.0,0.013);(408.0,0.014);(409.0,0.019);(410.0,0.022);(411.0,0.033);(412.0,0.032);(413.0,0.062);(414.0,0.04);(415.0,0.132);(416.0,0.053);(419.0,0.011);(420.0,0.006);(421.0,0.008);(422.0,0.008);(423.0,0.011);(426.0,0.019);(427.0,0.032);(428.0,0.03);(429.0,0.042);(430.0,0.026);(431.0,0.018);(432.0,0.008);(438.0,0.009);(439.0,0.017);(440.0,0.02);(441.0,0.029);(442.0,0.029);(443.0,0.038);(444.0,0.028);(445.0,0.025);(446.0,0.016);(447.0,0.009);(453.0,0.014);(454.0,0.019);(455.0,0.038);(456.0,0.035);(457.0,0.076);(458.0,0.057);(459.0,0.037);(460.0,0.019);(461.0,0.009);(465.0,0.006);(468.0,0.016);(469.0,0.037);(470.0,0.034);(471.0,0.058);(472.0,0.039);(473.0,0.049);(475.0,0.016);(476.0,0.008);(481.0,0.008);(482.0,0.012);(483.0,0.026);(485.0,0.081);(486.0,0.085);(487.0,0.253);(488.0,0.142);(497.0,0.008);(498.0,0.011);(499.0,0.02);(500.0,0.022);(501.0,0.031);(502.0,0.024);(503.0,0.031);(504.0,0.021);(506.0,0.008);(511.0,0.004);(512.0,0.008);(513.0,0.013);(514.0,0.015);(515.0,0.023);(516.0,0.041);(517.0,0.03);(519.0,0.013);(520.0,0.007);(526.0,0.007);(527.0,0.016);(528.0,0.023);(529.0,0.039);(530.0,0.04);(531.0,0.032);(532.0,0.02);(535.0,0.005);(539.0,0.004);(541.0,0.012);(542.0,0.018);(543.0,0.037);(544.0,0.039);(545.0,0.067);(546.0,0.14);(547.0,0.106);(548.0,0.057);(549.0,0.026);(550.0,0.01);(552.0,0.002);(555.0,0.014);(556.0,0.028);(557.0,0.101);(558.0,0.2);(559.0,0.617);(560.0,0.436);(561.0,0.264);(562.0,0.131);(563.0,0.05);(564.0,0.021);(565.0,0.007);(570.0,0.006);(571.0,0.02);(572.0,0.032);(573.0,0.069);(574.0,0.098);(575.0,0.107);(576.0,0.076);(577.0,0.045);(578.0,0.023);(579.0,0.012);(580.0,0.003);(586.0,0.002);(587.0,0.003);(588.0,0.006);(589.0,0.014);(590.0,0.011);(591.0,0.009);(592.0,0.009);(593.0,0.006);(598.0,0.001);(600.0,0.002) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.104);(71.0,0.105);(72.0,0.299);(76.0,0.276);(77.0,0.763);(78.0,0.109);(79.0,0.209);(80.0,0.01);(81.0,0.024);(82.0,0.012);(83.0,0.177);(84.0,0.042);(85.0,0.114);(86.0,0.036);(87.0,0.109);(88.0,0.029);(89.0,0.117);(90.0,0.033);(91.0,0.206);(92.0,0.042);(93.0,0.098);(94.0,0.018);(95.0,0.056);(96.0,0.026);(97.0,0.059);(98.0,0.026);(99.0,0.223);(100.0,0.037);(101.0,0.065);(102.0,0.039);(103.0,0.235);(104.0,0.056);(105.0,0.24);(106.0,0.028);(107.0,0.084);(108.0,0.014);(109.0,0.057);(110.0,0.029);(111.0,0.048);(112.0,0.009);(113.0,0.039);(114.0,0.012);(115.0,0.265);(116.0,0.05);(117.0,0.159);(118.0,0.033);(119.0,0.209);(120.0,0.041);(121.0,0.089);(122.0,0.023);(123.0,0.04);(124.0,0.013);(125.0,0.026);(126.0,0.025);(127.0,0.061);(128.0,0.075);(129.0,0.108);(130.0,0.024);(131.0,0.294);(132.0,0.057);(133.0,1.0);(134.0,0.145);(135.0,0.25);(136.0,0.038);(137.0,0.063);(138.0,0.019);(139.0,0.052);(140.0,0.014);(141.0,0.077);(142.0,0.02);(143.0,0.087);(144.0,0.02);(145.0,0.109);(146.0,0.031);(150.0,0.06);(151.0,0.094);(152.0,0.072);(153.0,0.057);(154.0,0.02);(155.0,0.055);(156.0,0.015);(157.0,0.054);(158.0,0.014);(159.0,0.049);(160.0,0.016);(161.0,0.074);(162.0,0.032);(163.0,0.151);(164.0,0.048);(165.0,0.171);(166.0,0.046);(167.0,0.067);(168.0,0.018);(169.0,0.043);(170.0,0.016);(171.0,0.044);(172.0,0.014);(173.0,0.029);(174.0,0.019);(175.0,0.053);(176.0,0.056);(177.0,0.16);(178.0,0.098);(179.0,0.172);(180.0,0.042);(181.0,0.071);(182.0,0.023);(183.0,0.048);(184.0,0.019);(185.0,0.039);(186.0,0.016);(187.0,0.038);(188.0,0.022);(189.0,0.14);(190.0,0.052);(191.0,0.262);(192.0,0.075);(193.0,0.392);(194.0,0.08);(195.0,0.12);(196.0,0.031);(197.0,0.036);(198.0,0.015);(199.0,0.021);(200.0,0.024);(201.0,0.038);(202.0,0.061);(203.0,0.077);(204.0,0.028);(205.0,0.078);(206.0,0.033);(207.0,0.305);(208.0,0.074);(209.0,0.19);(210.0,0.041);(211.0,0.042);(212.0,0.015);(213.0,0.028);(215.0,0.051);(216.0,0.021);(217.0,0.047);(218.0,0.023);(219.0,0.069);(220.0,0.028);(221.0,0.082);(222.0,0.036);(223.0,0.101);(224.0,0.031);(225.0,0.047);(226.0,0.019);(227.0,0.035);(228.0,0.02);(229.0,0.034);(231.0,0.031);(232.0,0.014);(233.0,0.06);(234.0,0.032);(235.0,0.099);(236.0,0.048);(237.0,0.094);(238.0,0.035);(239.0,0.061);(240.0,0.024);(241.0,0.03);(242.0,0.012);(243.0,0.022);(244.0,0.01);(245.0,0.027);(246.0,0.011);(247.0,0.043);(248.0,0.024);(249.0,0.128);(250.0,0.07);(251.0,0.119);(252.0,0.043);(253.0,0.082);(254.0,0.029);(255.0,0.035);(256.0,0.013);(257.0,0.026);(258.0,0.01);(259.0,0.025);(260.0,0.012);(261.0,0.028);(262.0,0.014);(263.0,0.052);(264.0,0.041);(265.0,0.091);(266.0,0.049);(267.0,0.081);(268.0,0.028);(269.0,0.036);(270.0,0.014);(271.0,0.029);(272.0,0.089);(273.0,0.053);(274.0,0.015);(275.0,0.032);(276.0,0.013);(277.0,0.035);(278.0,0.028);(279.0,0.055);(280.0,0.032);(281.0,0.222);(282.0,0.062);(283.0,0.06);(284.0,0.023);(285.0,0.031);(286.0,0.012);(287.0,0.02);(288.0,0.011);(289.0,0.025);(290.0,0.018);(291.0,0.042);(292.0,0.02);(293.0,0.042);(294.0,0.02);(295.0,0.069);(296.0,0.029);(297.0,0.048);(298.0,0.019);(299.0,0.028);(300.0,0.01);(301.0,0.026);(302.0,0.012);(303.0,0.024);(304.0,0.015);(305.0,0.027);(306.0,0.02);(307.0,0.042);(308.0,0.019);(309.0,0.042);(310.0,0.022);(311.0,0.041);(312.0,0.018);(313.0,0.03);(314.0,0.015);(315.0,0.024);(316.0,0.072);(317.0,0.057);(318.0,0.019);(319.0,0.023);(320.0,0.016);(321.0,0.041);(322.0,0.024);(323.0,0.069);(324.0,0.109);(325.0,0.066);(326.0,0.025);(327.0,0.036);(328.0,0.02);(329.0,0.019);(330.0,0.011);(331.0,0.047);(332.0,0.025);(333.0,0.018);(334.0,0.011);(335.0,0.025);(336.0,0.017);(337.0,0.047);(338.0,0.028);(339.0,0.052);(340.0,0.032);(341.0,0.064);(342.0,0.023);(343.0,0.027);(344.0,0.011);(345.0,0.013);(346.0,0.008);(347.0,0.019);(348.0,0.013);(349.0,0.016);(350.0,0.013);(351.0,0.029);(352.0,0.02);(353.0,0.048);(354.0,0.032);(355.0,0.057);(356.0,0.029);(357.0,0.038);(358.0,0.015);(359.0,0.017);(360.0,0.009);(361.0,0.015);(362.0,0.01);(363.0,0.015);(365.0,0.031);(366.0,0.02);(367.0,0.035);(368.0,0.023);(369.0,0.042);(370.0,0.027);(371.0,0.03);(373.0,0.02);(374.0,0.01);(375.0,0.014);(376.0,0.009);(377.0,0.024);(378.0,0.018);(379.0,0.031);(380.0,0.018);(381.0,0.037);(382.0,0.027);(383.0,0.04);(384.0,0.028);(385.0,0.041);(386.0,0.021);(387.0,0.019);(388.0,0.011);(389.0,0.014);(391.0,0.011);(392.0,0.012);(393.0,0.034);(394.0,0.024);(395.0,0.036);(396.0,0.025);(397.0,0.046);(398.0,0.03);(399.0,0.043);(400.0,0.021);(401.0,0.023);(402.0,0.01);(403.0,0.009);(405.0,0.007);(407.0,0.013);(408.0,0.014);(409.0,0.019);(410.0,0.022);(411.0,0.033);(412.0,0.032);(413.0,0.062);(414.0,0.04);(415.0,0.132);(416.0,0.053);(419.0,0.011);(420.0,0.006);(421.0,0.008);(422.0,0.008);(423.0,0.011);(426.0,0.019);(427.0,0.032);(428.0,0.03);(429.0,0.042);(430.0,0.026);(431.0,0.018);(432.0,0.008);(438.0,0.009);(439.0,0.017);(440.0,0.02);(441.0,0.029);(442.0,0.029);(443.0,0.038);(444.0,0.028);(445.0,0.025);(446.0,0.016);(447.0,0.009);(453.0,0.014);(454.0,0.019);(455.0,0.038);(456.0,0.035);(457.0,0.076);(458.0,0.057);(459.0,0.037);(460.0,0.019);(461.0,0.009);(465.0,0.006);(468.0,0.016);(469.0,0.037);(470.0,0.034);(471.0,0.058);(472.0,0.039);(473.0,0.049);(475.0,0.016);(476.0,0.008);(481.0,0.008);(482.0,0.012);(483.0,0.026);(485.0,0.081);(486.0,0.085);(487.0,0.253);(488.0,0.142);(497.0,0.008);(498.0,0.011);(499.0,0.02);(500.0,0.022);(501.0,0.031);(502.0,0.024);(503.0,0.031);(504.0,0.021);(506.0,0.008);(511.0,0.004);(512.0,0.008);(513.0,0.013);(514.0,0.015);(515.0,0.023);(516.0,0.041);(517.0,0.03);(519.0,0.013);(520.0,0.007);(526.0,0.007);(527.0,0.016);(528.0,0.023);(529.0,0.039);(530.0,0.04);(531.0,0.032);(532.0,0.02);(535.0,0.005);(539.0,0.004);(541.0,0.012);(542.0,0.018);(543.0,0.037);(544.0,0.039);(545.0,0.067);(546.0,0.14);(547.0,0.106);(548.0,0.057);(549.0,0.026);(550.0,0.01);(552.0,0.002);(555.0,0.014);(556.0,0.028);(557.0,0.101);(558.0,0.2);(559.0,0.617);(560.0,0.436);(561.0,0.264);(562.0,0.131);(563.0,0.05);(564.0,0.021);(565.0,0.007);(570.0,0.006);(571.0,0.02);(572.0,0.032);(573.0,0.069);(574.0,0.098);(575.0,0.107);(576.0,0.076);(577.0,0.045);(578.0,0.023);(579.0,0.012);(580.0,0.003);(586.0,0.002);(587.0,0.003);(588.0,0.006);(589.0,0.014);(590.0,0.011);(591.0,0.009);(592.0,0.009);(593.0,0.006);(598.0,0.001);(600.0,0.002) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (110.0362272,3.036064742);(111.0440518,1.452219898);(121.0284026,1.873319494);(136.0154921,9.420346308);(137.0233167,5.292708032);(138.0311413,4.567349138);(139.0389659,1.582306391);(149.0233167,1.492573552);(150.0311413,2.136187363);(152.0104062,1.441681967);(218.0209695,1.728827542);(230.0209695,2.183893513);(231.0287941,2.400668587);(232.0366187,2.776984151);(234.0522679,1.398066995);(244.0366187,2.056298121);(245.0444433,2.225143712);(246.0522679,2.483824488);(256.0002344,1.733074433);(257.008059,1.231245399);(258.0158836,3.367588728);(260.0315328,2.09705059);(270.0158836,1.659899053);(271.0237082,2.06956928);(272.0315328,6.028496188);(273.0393574,6.308119353);(274.047182,8.806400869);(275.0505768,1.41311453);(284.0315328,5.149309859);(285.0393574,4.186699204);(302.0420961,6.400968521) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,5.061584911);(265.0710659,4.699472573);(266.0728535,1.124445907);(280.0945397,1.561469647);(281.1023643,7.132763786);(282.1042326,1.790784967);(297.0972784,3.025932696);(298.0991502,0.7608392187);(351.1262389,3.316804912);(352.1279211,1.115046249);(367.1575373,2.730276881);(368.1592812,0.9500676686);(573.1974526,0.8327102227);(588.1845421,0.8620781654);(589.1923667,3.482634916);(590.1942678,1.788500657);(590.2001913,3.77031956);(591.1928441,0.9534707351);(591.2020937,1.936806201);(591.2080159,1.710600919);(592.2006708,1.032523099);(592.2099196,0.8789891645);(619.2213272,3.145783199);(620.2230568,1.811661466);(621.2215901,1.06318083);(634.244801,0.9224705189);(646.2084167,0.9436143612);(647.2162413,6.89226175);(648.2180035,4.048999661);(649.2166209,2.389393934);(650.2170964,0.880797341) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (110.0362272,1.257422051);(121.0284026,1.343302531);(136.0154921,5.486626759);(137.0233167,1.947766125);(138.0311413,2.39711046);(139.0389659,1.193166372);(149.0233167,1.087912241);(150.0311413,1.400157312);(151.0389659,0.9407556236);(152.0104062,1.609123545);(218.0209695,1.145138491);(230.0209695,1.214000429);(231.0287941,1.281461713);(232.0366187,1.48987326);(244.0366187,1.408219303);(245.0444433,1.106304863);(246.0522679,1.618962828);(256.0002344,1.277575651);(257.008059,1.029181596);(258.0158836,2.226665992);(260.0315328,1.430781407);(270.0158836,1.190264984);(271.0237082,1.484027503);(272.0315328,5.021250086);(273.0393574,6.004425849);(274.0427495,0.9625962685);(274.047182,8.213795426);(275.0505768,1.318022406);(284.0315328,2.900646431);(285.0393574,2.41656058);(302.0420961,4.691795458) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (125.0239,95.0);(149.0225,45.0);(151.002,175.0);(163.002,26.0);(227.0343,135.0);(229.0468,52.0);(237.0189,30.0);(243.0298,29.0);(255.03,89.0);(257.0442,27.0);(271.0255,999.0);(272.0288,95.0);(273.0374,33.0);(283.0252,21.0);(299.0208,250.0);(300.024,33.0);(301.0363,523.0);(302.0389,31.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0134,172.0);(109.0285,68.0);(113.0398,53.0);(115.0555,86.0);(117.0347,88.0);(119.013,112.0);(121.0292,216.0);(123.0093,59.0);(124.0159,41.0);(125.0237,231.0);(127.0537,65.0);(129.0326,72.0);(131.0505,54.0);(133.0279,247.0);(135.0078,427.0);(139.0497,62.0);(143.0487,130.0);(145.0288,111.0);(147.0197,200.0);(148.0151,567.0);(149.0225,999.0);(150.0237,42.0);(151.0029,336.0);(153.0191,62.0);(154.0403,46.0);(155.0479,87.0);(157.0272,213.0);(158.0341,45.0);(159.0427,207.0);(161.0232,127.0);(163.0014,161.0);(171.0436,197.0);(173.0219,152.0);(175.0375,234.0);(176.0422,42.0);(182.0352,90.0);(183.0432,177.0);(185.0255,210.0);(187.0354,55.0);(198.03,112.0);(199.0381,195.0);(201.0271,57.0);(203.0335,79.0);(215.0337,81.0);(226.0269,58.0);(227.0339,242.0);(228.0367,40.0);(243.0307,198.0);(253.0149,41.0);(271.026,206.0);(272.0297,52.0);(283.0263,39.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (151.0042,23.0);(153.0196,30.0);(163.0043,121.0);(190.9992,23.0);(206.9942,83.0);(207.9998,14.0);(229.0512,10.0);(255.0301,16.0);(271.0251,125.0);(272.0283,14.0);(273.0402,28.0);(289.0353,13.0);(299.0201,631.0);(300.0232,82.0);(301.0356,999.0);(302.039,137.0);(303.0408,15.0);(317.0305,294.0);(318.0336,37.0);(345.0251,39.0);(617.0588,12.0);(625.0615,30.0);(635.069,25.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (125.0239,95.0);(149.0225,45.0);(151.002,175.0);(163.002,26.0);(227.0343,135.0);(229.0468,52.0);(237.0189,30.0);(243.0298,29.0);(255.03,89.0);(257.0442,27.0);(271.0255,999.0);(272.0288,95.0);(273.0374,33.0);(283.0252,21.0);(299.0208,250.0);(300.024,33.0);(301.0363,523.0);(302.0389,31.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (107.0134,172.0);(109.0285,68.0);(113.0398,53.0);(115.0555,86.0);(117.0347,88.0);(119.013,112.0);(121.0292,216.0);(123.0093,59.0);(124.0159,41.0);(125.0237,231.0);(127.0537,65.0);(129.0326,72.0);(131.0505,54.0);(133.0279,247.0);(135.0078,427.0);(139.0497,62.0);(143.0487,130.0);(145.0288,111.0);(147.0197,200.0);(148.0151,567.0);(149.0225,999.0);(150.0237,42.0);(151.0029,336.0);(153.0191,62.0);(154.0403,46.0);(155.0479,87.0);(157.0272,213.0);(158.0341,45.0);(159.0427,207.0);(161.0232,127.0);(163.0014,161.0);(171.0436,197.0);(173.0219,152.0);(175.0375,234.0);(176.0422,42.0);(182.0352,90.0);(183.0432,177.0);(185.0255,210.0);(187.0354,55.0);(198.03,112.0);(199.0381,195.0);(201.0271,57.0);(203.0335,79.0);(215.0337,81.0);(226.0269,58.0);(227.0339,242.0);(228.0367,40.0);(243.0307,198.0);(253.0149,41.0);(271.026,206.0);(272.0297,52.0);(283.0263,39.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (151.0042,23.0);(153.0196,30.0);(163.0043,121.0);(190.9992,23.0);(206.9942,83.0);(207.9998,14.0);(229.0512,10.0);(255.0301,16.0);(271.0251,125.0);(272.0283,14.0);(273.0402,28.0);(289.0353,13.0);(299.0201,631.0);(300.0232,82.0);(301.0356,999.0);(302.039,137.0);(303.0408,15.0);(317.0305,294.0);(318.0336,37.0);(345.0251,39.0);(617.0588,12.0);(625.0615,30.0);(635.069,25.0) | |
| LC-MS/MS | DI-ESI-qTof | Negative | Not Available | View Spectrum | (121.026779,259.0);(125.023659,8776.0);(135.006485,299.0);(145.024933,348.0);(147.006454,3996.0);(148.013107,3816.0);(149.020844,14627.0);(151.000153,31025.0);(152.006165,1560.0);(153.018143,352.0);(157.06337,296.0);(159.042816,1664.0);(161.049454,374.0);(163.000702,7127.0);(164.007751,931.0);(169.010544,1680.0);(171.041443,403.0);(173.020218,1392.0);(175.000046,986.0);(176.008331,344.0);(177.054764,366.0);(178.994293,364.0);(185.056061,928.0);(187.038086,2472.0);(189.053085,402.0);(193.010971,323.0);(201.050705,1773.0);(203.031311,711.0);(205.046036,617.0);(211.038177,1100.0);(213.050003,506.0);(214.028534,259.0);(215.031525,1058.0);(227.031769,326.0);(229.043777,4233.0);(230.051041,350.0);(231.028336,486.0);(233.042664,847.0);(239.028244,1005.0);(240.038025,398.0);(241.214035,370.0);(245.04245,1176.0);(257.039062,1878.0);(272.027008,1049.0);(273.035248,2817.0);(283.018585,3245.0);(301.028839,14029.0) | |
| LC-MS/MS | DI-ESI-qTof | Positive | Not Available | View Spectrum | (121.025497,989.0);(123.04126,567.0);(127.034554,588.0);(137.019501,5598.0);(138.022903,249.0);(145.061356,238.0);(149.018463,5164.0);(150.021698,280.0);(151.034271,175.0);(153.014267,12405.0);(154.017807,558.0);(155.050888,136.0);(161.055923,1051.0);(163.033401,2227.0);(164.038818,177.0);(165.012924,3729.0);(166.018509,375.0);(173.054871,660.0);(177.048233,519.0);(179.029205,237.0);(183.023743,2644.0);(184.030075,169.0);(185.055511,209.0);(187.034592,941.0);(191.030502,1298.0);(193.041107,205.0);(194.016037,240.0);(201.049301,774.0);(205.044266,3120.0);(206.046127,319.0);(207.023834,272.0);(213.050278,513.0);(215.030746,494.0);(217.043213,163.0);(219.023483,2466.0);(220.027664,244.0);(229.044479,8514.0);(230.047409,711.0);(232.030258,183.0);(233.038345,3857.0);(235.053116,584.0);(241.044647,159.0);(245.038208,132.0);(247.054367,1482.0);(257.038574,6024.0);(261.031555,1524.0);(262.037781,135.0);(274.040222,5095.0);(285.032593,1290.0);(303.043213,19160.0) | |
| LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (106.984818,5.629551);(124.998987,51.974859);(147.006535,4.290528);(148.007437,0.677263);(149.015228,2.863847);(150.99994,69.87007);(151.991025,0.571029);(159.033444,8.126511);(163.005208,16.918835);(175.00727,3.971158);(175.995549,0.387128);(185.048563,0.753609);(187.039248,3.293214);(191.009785,0.42016);(192.016884,1.831137);(201.093016,0.529142);(202.968107,2.231028);(206.997292,0.39806);(211.059657,3.600756);(213.074439,3.213809);(215.073428,5.340563);(228.06211,0.440629);(229.078373,64.958078);(230.080694,0.475172);(233.065617,2.174348);(239.065175,11.538016);(240.053684,1.026603);(245.063667,1.414587);(255.05011,0.920519);(256.051808,0.578092);(257.070935,45.700831);(258.021534,0.556258);(272.071099,1.26954);(273.073582,61.347694);(274.063646,0.377433);(283.060628,22.222866);(284.059638,0.575056) | |
| LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.555272,0.509776);(125.60641,6.548419);(126.916668,0.72741);(128.333335,1.128146);(128.583335,1.122646);(128.916668,1.135704);(147.747929,0.762175);(149.416669,0.642812);(151.333336,9.660003);(151.666669,9.226505);(152.916669,0.903559);(153.500002,0.704457);(154.083336,0.629188);(155.083336,0.75205);(155.666669,0.789317);(159.416669,1.565382);(159.666669,1.434212);(163.250003,2.531294);(163.666669,2.537612);(175.333336,0.818612);(175.583336,0.783398);(187.333337,0.797992);(187.66667,0.831951);(211.333338,0.818712);(211.750004,0.937573);(213.416671,0.72074);(213.666671,0.707743);(215.60199,1.117177);(229.6137,14.463032);(239.572414,3.155389);(257.535881,10.262121);(273.492351,12.441269);(283.465132,7.527488);(301.368189,81.595297);(302.0472,100.0);(303.027194,1.413165) | |
| LC-MS/MS | Linear Ion Trap | negative | Not Available | View Spectrum | (107.460783,1.156632);(125.485694,12.619102);(126.916668,0.693584);(128.500002,1.101419);(128.916668,1.110206);(147.535281,1.565238);(149.472697,1.330631);(151.367812,24.852822);(153.000002,0.810107);(154.166669,0.576);(154.666669,0.642632);(154.916669,0.690408);(155.333336,0.702995);(155.750003,0.71797);(159.416857,3.348361);(163.332161,6.18047);(175.347931,1.781718);(179.37022,0.552064);(185.365129,0.777812);(187.388665,1.856882);(192.334765,1.062354);(211.392868,2.090721);(213.405945,1.655498);(215.351323,2.593501);(228.416671,0.516036);(229.340848,27.431707);(231.250005,0.567464);(233.357335,0.899897);(239.294543,5.997118);(245.360746,0.80865);(255.289602,0.685066);(256.250006,0.554378);(257.300863,17.92822);(273.311003,19.90261);(283.309909,10.860168);(301.356636,73.534411);(302.05081,100.0);(303.015899,1.68863) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (125.0239,9.50951);(149.0225,4.504505);(151.002,17.517518);(163.002,2.602603);(227.0343,13.513514);(229.0468,5.205205);(237.0189,3.003003);(243.0298,2.902903);(255.03,8.908909);(257.0442,2.702703);(271.0255,100.0);(272.0288,9.50951);(273.0374,3.303303);(283.0252,2.102102);(299.0208,25.025025);(300.024,3.303303);(301.0363,52.352352);(302.0389,3.103103) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (107.0134,17.217217);(109.0285,6.806807);(113.0398,5.305305);(115.0555,8.608609);(117.0347,8.808809);(119.013,11.211211);(121.0292,21.621622);(123.0093,5.905906);(124.0159,4.104104);(125.0237,23.123123);(127.0537,6.506507);(129.0326,7.207207);(131.0505,5.405405);(133.0279,24.724725);(135.0078,42.742743);(139.0497,6.206206);(143.0487,13.013013);(145.0288,11.111111);(147.0197,20.02002);(148.0151,56.756757);(149.0225,100.0);(150.0237,4.204204);(151.0029,33.633634);(153.0191,6.206206);(154.0403,4.604605);(155.0479,8.708709);(157.0272,21.321321);(158.0341,4.504505);(159.0427,20.720721);(161.0232,12.712713);(163.0014,16.116116);(171.0436,19.71972);(173.0219,15.215215);(175.0375,23.423423);(176.0422,4.204204);(182.0352,9.009009);(183.0432,17.717718);(185.0255,21.021021);(187.0354,5.505506);(198.03,11.211211);(199.0381,19.51952);(201.0271,5.705706);(203.0335,7.907908);(215.0337,8.108108);(226.0269,5.805806);(227.0339,24.224224);(228.0367,4.004004);(243.0307,19.81982);(253.0149,4.104104);(271.026,20.620621);(272.0297,5.205205);(283.0263,3.903904) | |
| LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (102.01421,0.416182);(108.9805,0.398339);(110.952425,0.711611);(121.015857,0.832049);(127.006556,5.995413);(132.02502,0.722558);(133.043731,1.252131);(135.050527,0.910299);(136.980842,4.599125);(148.986925,17.378565);(150.0226,0.373509);(151.015447,1.279338);(152.980227,15.769093);(153.968612,0.475382);(161.019717,0.467513);(163.008581,1.192625);(164.998677,8.36751);(173.050496,0.507297);(176.996236,0.999527);(189.018998,0.287547);(191.05715,0.904121);(193.056526,0.621648);(205.053852,0.979376);(210.977324,0.642661);(213.085349,1.728175);(215.051751,0.742093);(217.062675,0.409171);(219.027707,1.964971);(222.904033,0.812009);(224.932205,15.152661);(227.191385,0.776626);(229.056266,16.569131);(230.05858,0.969769);(230.96118,0.968617);(233.058077,4.225381);(235.046739,0.593882);(241.130838,2.244026);(242.583338,0.41629);(243.000005,0.711012);(247.059284,10.8373);(248.016561,1.000832);(257.049586,54.288862);(258.068061,3.010287);(258.994732,4.771409);(260.029748,0.554274);(261.056787,6.459505);(262.500006,1.037442);(263.530868,56.485681);(264.000006,25.813841);(267.134194,0.502143);(270.083339,0.285168);(271.066931,3.113822);(272.166673,0.286495);(272.999057,0.951273);(274.065328,7.838933);(275.047988,9.753501);(276.096346,0.290017);(284.250006,1.199417);(285.039186,52.885231);(286.045505,6.063047);(287.107945,1.615891);(288.09668,1.123141);(302.294403,0.796364);(303.08334,0.402474) | |
| LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (166.899138,1.042504);(212.96013,0.278127);(214.948852,1.461242);(217.013156,0.381349);(233.04834,0.294999);(242.246306,0.438573);(244.9187,2.115967);(245.928814,4.43936);(246.903853,53.236708);(247.893533,0.804798);(251.033532,0.322175);(253.104044,0.420211);(262.891534,0.314994);(264.166672,0.324236);(264.775284,0.949498);(268.084966,0.325931);(269.043698,0.7454);(279.075768,0.545835);(281.0588,0.6937);(283.142277,0.447924);(284.666673,3.685716);(285.139023,16.364666);(285.666673,15.568562);(286.08334,5.182479);(289.222963,0.431265);(294.018686,2.900526);(296.166673,0.325784);(297.007408,2.680004);(298.009617,0.462646);(306.189159,0.893195);(307.156689,5.52162);(308.192158,1.009258);(324.995049,0.359722) | |
| LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (109.045033,0.515546);(111.03708,1.210716);(121.049736,0.991653);(127.076587,9.570171);(137.073308,8.095899);(149.063629,27.629);(151.096571,2.086679);(153.049665,25.718729);(161.12742,0.886922);(163.095004,2.078083);(165.074869,13.951691);(173.119115,0.998052);(177.073387,1.61719);(185.109764,0.50359);(191.097317,1.360698);(193.120695,0.81614);(205.121206,1.767906);(213.133169,2.764713);(215.133501,1.1851);(217.117378,0.637621);(219.109947,3.957027);(229.137503,28.93997);(233.127075,6.647113);(235.124604,1.219719);(241.118942,2.019424);(243.117411,0.501108);(247.133772,18.663805);(257.111699,100.0);(258.092124,1.47544);(261.10276,10.845034);(274.113879,12.534507);(275.111392,4.408168);(284.416673,2.819913);(285.070827,94.222399);(286.084913,2.541202);(303.098059,1.657737) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (84.002083,0.761175);(84.063698,0.678138);(94.040359,0.830373);(95.049004,1.425474);(97.026474,2.043641);(100.990479,1.33321);(103.054375,1.111777);(105.046616,0.82576);(106.035957,0.936476);(107.051857,1.176362);(109.028763,1.725331);(111.008942,2.278913);(115.050919,0.567422);(121.026306,1.121004);(122.032646,0.959542);(123.04277,2.698713);(127.040688,0.968769);(131.047363,0.936476);(137.023102,14.13941);(137.066528,1.402408);(138.025009,0.673525);(139.044922,1.213268);(143.393784,0.945703);(145.065964,1.919085);(146.066299,0.705817);(147.043442,0.567422);(149.022552,10.153619);(149.06131,0.618167);(151.038727,2.629515);(152.009735,0.913411);(152.083374,0.636619);(153.018112,36.776307);(153.739822,1.037967);(154.021561,1.499285);(155.020767,0.655072);(157.063919,0.788855);(159.021591,0.581261);(159.04483,1.079485);(161.076233,0.678138);(161.790283,0.904184);(163.038788,3.944273);(164.047623,0.848826);(165.018936,9.655395);(166.00473,0.816534);(166.02594,2.915533);(173.02478,0.562809);(173.051712,1.370116);(174.063904,0.498224);(178.406876,1.674586);(179.039001,0.968769);(181.029694,0.853439);(183.029907,3.450662);(185.063141,0.701204);(186.128723,0.72427);(187.034943,1.402408);(189.055756,0.918024);(190.995422,0.770402);(191.037003,2.767911);(192.038681,0.977995);(194.003723,0.788855);(195.029343,0.659685);(201.053589,3.058541);(203.033264,0.918024);(204.039139,0.415187);(205.050735,4.622411);(206.053284,1.462379);(211.030716,0.512063);(213.051498,0.761175);(215.027679,0.62278);(216.704712,0.475158);(217.052902,0.761175);(218.955582,0.488998);(219.026917,13.668866);(220.031204,1.194815);(229.050171,14.836001);(230.057129,1.250173);(232.036591,0.94109);(233.045807,3.339946);(234.053223,1.600775);(235.063782,1.397795);(247.063705,2.117452);(250.042603,0.770402);(256.611298,0.470545);(257.045563,11.855884);(257.993164,0.793468);(258.045288,1.420861);(261.037537,2.223555);(262.046356,1.047193);(273.998047,1.277852);(274.051117,7.537943);(275.047241,0.484384);(285.039886,2.255847);(301.592743,0.535129);(302.244141,1.010287);(302.765808,1.047193);(303.0513,100.0);(303.702728,0.415187);(304.059296,5.065277);(304.631622,0.475158);(306.030212,0.687364);(434.354858,0.442866);(1760.078735,0.881118) | |
| LC-MS/MS | LC-ESI-QFT | positive | low | View Spectrum | (127.0388,0.4313266375);(137.0233,1.731468359);(149.0234,6.771828209);(151.0391,0.3943557829);(153.0183,6.358986999);(165.0184,2.273707561);(213.0546,0.4559738739);(219.0284,0.4220839238);(229.0493,7.052190523);(233.0444,1.86086635);(241.0491,0.6161809107);(247.06,6.676320168);(257.0444,30.80904554);(261.0394,3.558444759);(274.0474,4.143816625);(275.0553,1.139934685);(285.0396,25.3034691) | |
| LC-MS/MS | LC-ESI-IT | positive | low | View Spectrum | (127.1497,2.793542344);(136.9968,2.093779272);(149.0721,7.215273569);(153.0183,7.972891068);(165.0183,3.20403328);(229.0493,8.865502232);(233.0294,2.226017962);(247.06,5.873601851);(257.0444,27.54972726);(261.0394,3.146178853);(274.0474,5.683508733);(285.0396,23.37594358) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (38.1292,1.03);(39.0241,3.95);(41.0045,10.2);(51.0235,1.37);(57.0347,15.07);(63.0236,20.94);(65.0036,100.0);(77.0396,3.59);(79.0177,1.42);(81.0322,5.28);(83.0143,62.9);(89.039,1.01);(91.0213,3.9);(93.036,9.06);(95.0113,2.72);(96.0194,1.67);(105.0286,3.14);(107.0148,18.97);(108.0198,4.43);(109.0276,4.8);(115.0532,2.44);(117.0328,2.24);(119.0106,5.89);(120.0196,2.24);(121.0285,20.89);(124.0118,1.29);(125.0263,13.42);(133.0263,3.14);(135.0419,3.72);(136.0184,1.93);(143.0489,1.78);(145.0246,6.03);(146.0373,1.16);(147.0074,5.95);(148.0166,63.74);(149.0249,53.91);(151.0045,11.64);(159.0481,6.56);(161.0243,3.98);(163.0024,6.49);(164.0085,1.39);(165.0158,1.04);(167.0462,1.83);(171.045,2.1);(173.0216,2.63);(175.0417,1.19);(177.0512,1.16);(183.0356,1.08);(187.0343,1.32);(195.0432,1.46);(201.0529,1.02);(203.0309,1.9);(211.0355,1.43);(215.036,1.22);(243.0254,1.29) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (57.0346,2.24);(63.0251,4.04);(65.0039,8.82);(83.0137,17.38);(107.013,26.46);(109.0279,4.78);(121.0307,1.1);(125.0244,67.08);(145.0266,1.2);(147.0082,12.74);(148.0172,10.4);(149.0244,42.38);(151.0033,100.0);(159.0426,6.2);(163.0029,20.53);(164.0078,1.21);(173.0242,2.45);(175.001,2.12);(185.0584,1.83);(187.0396,9.95);(189.0496,1.32);(191.9988,2.19);(201.0509,3.82);(203.0279,1.34);(205.0523,1.33);(211.0354,2.59);(213.059,1.26);(215.0306,2.08);(227.0253,1.04);(229.0494,13.25);(233.0425,1.58);(239.0317,3.06);(245.0426,3.45);(257.0434,5.23);(272.0467,1.85);(273.0389,8.22);(283.0231,8.34);(301.035,48.29) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (107.0134,17.22);(109.0285,6.81);(113.0398,5.31);(115.0555,8.61);(117.0347,8.81);(119.013,11.21);(121.0292,21.62);(123.0093,5.91);(124.0159,4.1);(125.0237,23.12);(127.0537,6.51);(129.0326,7.21);(131.0505,5.41);(133.0279,24.72);(135.0078,42.74);(139.0497,6.21);(143.0487,13.01);(145.0288,11.11);(147.0197,20.02);(148.0151,56.76);(149.0225,100.0);(150.0237,4.2);(151.0029,33.63);(153.0191,6.21);(154.0403,4.6);(155.0479,8.71);(157.0272,21.32);(158.0341,4.5);(159.0427,20.72);(161.0232,12.71);(163.0014,16.12);(171.0436,19.72);(173.0219,15.22);(175.0375,23.42);(176.0422,4.2);(182.0352,9.01);(183.0432,17.72);(185.0255,21.02);(187.0354,5.51);(198.03,11.21);(199.0381,19.52);(201.0271,5.71);(203.0335,7.91);(215.0337,8.11);(226.0269,5.81);(227.0339,24.22);(228.0367,4.0);(243.0307,19.82);(253.0149,4.1);(271.026,20.62);(272.0297,5.21);(283.0263,3.9) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (125.0239,9.51);(149.0225,4.5);(151.002,17.52);(163.002,2.6);(227.0343,13.51);(229.0468,5.21);(237.0189,3.0);(243.0298,2.9);(255.03,8.91);(257.0442,2.7);(271.0255,100.0);(272.0288,9.51);(273.0374,3.3);(283.0252,2.1);(299.0208,25.03);(300.024,3.3);(301.0363,52.35);(302.0389,3.1) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (107.0148,1.04);(125.0243,8.85);(148.0127,1.01);(149.0236,2.85);(151.0031,13.5);(163.0063,1.78);(229.0503,3.26);(257.0423,1.68);(273.0366,1.59);(283.018,1.13);(301.0352,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (68.9976,1.21);(111.0069,4.45);(121.0256,1.23);(123.0419,1.14);(137.0205,5.16);(146.9947,3.12);(149.02,6.29);(153.0133,6.29);(161.0561,1.02);(163.0377,1.5);(165.016,4.38);(205.0464,1.72);(213.0528,1.05);(219.0336,1.32);(225.0262,1.83);(229.0497,11.04);(233.0421,3.52);(247.0581,2.35);(257.0431,12.53);(261.0397,1.43);(274.0465,4.01);(275.0461,1.21);(285.0392,3.27);(286.041,1.2);(303.0494,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.0239,1.89);(41.0388,1.75);(43.018,1.33);(45.9879,1.36);(46.9945,1.25);(53.0384,2.5);(55.0174,6.72);(55.9341,1.25);(61.0108,4.9);(62.0216,3.21);(65.0363,3.12);(67.0187,6.07);(68.9974,81.85);(70.0053,1.36);(70.9554,1.29);(72.935,1.14);(77.0339,3.79);(79.0226,6.18);(81.0314,15.66);(81.9499,1.07);(83.0115,2.13);(84.9561,4.11);(87.9844,2.44);(88.9598,2.06);(91.0567,3.21);(93.0342,2.98);(95.0499,10.66);(95.9762,1.18);(97.0236,3.14);(99.9295,1.1);(100.9885,3.66);(103.0078,8.7);(105.0677,3.22);(107.0487,5.69);(108.0226,1.82);(109.0248,10.62);(110.0356,3.14);(111.0072,14.91);(115.0575,3.43);(115.9442,2.92);(117.0683,4.98);(118.0301,1.07);(119.0455,5.67);(119.9257,1.65);(121.0263,47.88);(122.0454,1.19);(123.0419,8.59);(125.0244,1.9);(125.9707,1.7);(127.0505,5.07);(128.0582,1.67);(131.0472,4.93);(132.0475,1.54);(133.0257,3.98);(134.0702,1.91);(134.9399,2.87);(136.0113,3.19);(137.0231,70.63);(137.762,1.1);(138.5922,1.06);(140.035,1.29);(143.0107,1.24);(144.0534,1.1);(145.0642,6.7);(145.9288,1.69);(147.0031,2.33);(149.0204,13.96);(149.9409,1.05);(150.9481,1.32);(152.1556,1.27);(153.0183,100.0);(153.91,1.17);(155.0475,4.37);(157.0612,3.41);(159.0419,3.39);(161.0583,13.02);(163.0343,15.63);(165.0131,14.38);(167.065,1.29);(170.9347,1.96);(173.0549,10.56);(174.0579,1.1);(175.0278,1.45);(176.0525,1.48);(177.0551,8.02);(179.0327,3.2);(181.0142,1.22);(181.8725,1.2);(183.0337,2.33);(185.0526,1.15);(186.0257,1.33);(187.0322,6.58);(188.3126,1.06);(189.011,2.92);(190.0259,1.33);(191.0328,8.58);(192.0399,1.78);(193.0425,2.16);(195.0293,1.18);(198.1538,1.03);(199.0419,1.84);(200.0474,1.09);(201.0571,3.69);(203.0279,2.07);(204.0391,2.04);(205.0486,27.61);(207.0189,2.15);(208.0132,1.36);(209.9978,1.19);(215.0314,2.03);(218.0619,1.11);(219.027,59.99);(220.0262,1.13);(220.9943,1.77);(228.0437,2.57);(229.0447,29.77);(230.544,1.08);(233.0477,5.3);(234.7579,1.17);(236.9288,1.32);(243.0643,1.07);(245.0375,3.15);(247.0466,1.65);(248.4836,1.66);(255.0276,1.17);(256.0329,1.65);(257.0424,8.65);(261.0439,1.99);(264.0499,1.0);(274.0545,2.88);(284.7907,1.23);(286.4782,1.17);(287.2907,1.12);(287.8096,1.15);(293.2393,1.04);(294.4122,1.0);(297.9012,1.09) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (153.0153,1.25);(225.0159,1.74);(257.0385,1.36);(270.9707,1.07);(303.0495,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (43.01838972,0.1238349985);(47.04968984,0.0152658041);(55.01838972,0.0166246068);(68.99765427,0.0332354425);(69.03403978,0.0539372176);(71.01330434,0.046622483);(71.04968984,0.0164225861);(73.0289544,0.0458186102);(95.01330434,0.0276244923);(97.0289544,0.0208357902);(137.023869,0.1074478471);(149.023869,0.0210966721);(153.0187836,0.3912436246);(167.0344337,0.225124552);(207.0293483,0.0348164378);(219.0293483,0.1605886654);(233.0086129,0.0261787412);(233.0449984,0.0498835959);(247.0606485,0.0542079713);(249.039913,0.0231955896);(257.0086129,0.0467083462);(259.0242629,0.20813443);(261.039913,0.2696192625);(267.0293483,0.0515736099);(273.039913,0.6259622406);(275.0191776,0.2651451575);(277.0348276,0.0893842372);(285.039913,16.11317217);(287.0191776,0.2345939031);(287.0191776,0.676712642);(303.0504777,79.92498827) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (45.03403978,0.3925520689);(55.01838972,0.2760171514);(56.99765427,0.414099447);(68.99765427,0.2581406736);(69.03403978,0.2316793352);(71.01330434,0.3100388347);(71.04968984,0.3196528933);(85.0289544,0.1894274922);(95.01330434,0.3060921762);(137.023869,1.093565994);(149.023869,0.3639751262);(151.0395191,0.4296195901);(153.0187836,1.691939795);(207.0293483,0.6018280599);(219.0293483,1.154307676);(233.0086129,0.4500921891);(235.0242629,0.2667782879);(243.0293483,0.1855607903);(249.039913,0.259690739);(255.0293483,0.2322072508);(257.0086129,0.2296774514);(259.0242629,1.968316827);(261.039913,2.121765129);(267.0293483,0.3260675136);(273.039913,5.84015247);(275.0191776,0.2882652835);(277.0348276,0.1967002359);(285.039913,23.8222251);(287.0191776,0.329228736);(287.0191776,0.805609225);(303.0504777,54.64472645) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,1.981109602);(51.0234751,1.338686244);(55.01838972,1.141323903);(67.01838972,2.45902309);(68.99765427,2.196443515);(69.03403978,5.006361713);(71.01330434,1.158222568);(85.0289544,2.755918263);(95.01330434,3.96032146);(111.008219,1.510954131);(111.0446045,1.650145492);(137.023869,12.72525575);(149.023869,1.583415539);(153.0187836,13.44235849);(205.0500838,0.804106932);(215.0344337,1.526236119);(217.0500838,1.389104288);(219.0293483,1.698940892);(229.0500838,1.954196507);(231.0293483,1.212462403);(233.0449984,0.9548480561);(241.0136983,1.119479);(243.0293483,3.828668169);(247.0606485,1.209891156);(255.0293483,2.523273912);(259.0242629,2.885250334);(261.039913,3.627779526);(267.0293483,3.428712386);(273.039913,1.887614166);(285.039913,15.70411026);(287.0191776,1.335786146) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (41.00273965,0.3167500347);(43.01838972,0.075827184);(67.01838972,0.025349662);(69.03403978,0.0247147197);(83.01330434,0.0520853403);(95.01330434,0.0450273421);(135.008219,0.5242063814);(147.008219,0.0835003023);(149.023869,1.084804895);(151.0031336,1.40135268);(153.0187836,0.2659070639);(165.0187836,0.6779785674);(205.0136983,0.0808369607);(207.0293483,0.0340362133);(217.0136983,0.1150437302);(227.0344337,0.0382528343);(229.0136983,0.1329485712);(231.0293483,0.5363020918);(233.0086129,0.035329932);(233.0449984,0.0589922808);(245.0449984,1.562182827);(247.0242629,0.0661900137);(254.9929628,0.0780486919);(257.0086129,0.2966046933);(259.0242629,0.6706616496);(271.0242629,0.5669618802);(273.0035275,0.0607153571);(275.0191776,0.2236624435);(283.0242629,3.62785482);(285.0035275,0.0839634799);(301.0348276,87.15390736) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00273965,0.2985709453);(43.01838972,0.1901661816);(67.01838972,0.2545511443);(83.01330434,0.2649295415);(109.0289544,0.2249315693);(135.008219,0.7777047462);(147.008219,0.379433805);(149.023869,2.888003316);(151.0031336,4.935251222);(153.0187836,0.2017936634);(165.0187836,0.2381525335);(203.0344337,0.1102277578);(205.0136983,0.4992832155);(217.0136983,0.8702095188);(227.0344337,0.1680864954);(229.0136983,0.2120618297);(231.0293483,1.551418075);(233.0086129,0.1314279795);(233.0449984,0.1668475025);(245.0449984,3.279156121);(247.0242629,0.2476914076);(254.9929628,0.159927019);(257.0086129,1.865497935);(259.0242629,4.653199275);(271.0242629,1.66443676);(273.0035275,0.4236130218);(275.0191776,0.5071692057);(283.0242629,7.498224103);(285.0035275,0.0935743137);(285.0035275,0.2011912074);(301.0348276,65.04326859) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,3.057421663);(65.00273965,4.667944681);(67.01838972,4.131453024);(79.01838972,2.243379212);(80.99765427,1.374012797);(83.01330434,5.618113342);(92.99765427,3.260738985);(107.0133043,1.482518303);(109.0289544,1.878175836);(125.023869,5.069798136);(135.008219,7.914266631);(147.008219,3.002604871);(149.023869,6.58545918);(151.0031336,4.753148254);(153.0187836,1.025833921);(165.0187836,4.313106227);(189.0187836,5.284786952);(203.0344337,2.138396495);(205.0136983,1.288818909);(213.0187836,1.170792822);(215.0344337,0.9638550481);(217.0136983,2.55523598);(227.0344337,0.9684010623);(229.0136983,1.303050264);(231.0293483,5.166263194);(245.0449984,1.747487906);(257.0086129,3.164312183);(259.0242629,4.985247868);(271.0242629,2.522742832);(283.0242629,4.761919289);(301.0348276,1.600714132) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (303.04992,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (153.01823,3.0);(229.04953,3.0);(273.03936,3.0);(303.04992,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (68.9971,32.0);(85.0284,7.0);(121.0284,23.0);(123.04405,6.0);(139.03897,26.0);(139.03897,26.0);(153.01823,100.0);(167.03388,25.0);(273.03936,20.0);(303.04992,52.0) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (151.00367,5.0);(178.99859,3.0);(301.03537,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (107.01384,5.0);(121.02949,7.0);(151.00367,39.0);(178.99859,24.0);(271.0248,17.0);(273.04045,4.0);(301.03537,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (65.00328,71.0);(107.01384,39.0);(109.02949,57.0);(133.02949,57.0);(137.02441,79.0);(143.05023,54.0);(151.00367,100.0);(171.04514,61.0);(178.99859,18.0);(227.03497,50.0);(271.0248,68.0);(271.0248,68.0);(301.03537,50.0) |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Morin | Morin | rat | plasma | unchanged | 3h-5h | Not Available | Not Available | C15H10O7 | 302.042652662 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|