PhytoHub: Showing entry for trans-Cinnamyl alcohol

trans-Cinnamyl alcohol

Identification

PhytoHub ID

PHUB002711

Name

trans-Cinnamyl alcohol

Systematic Name

Not Available

Synonyms

(E)-cinnamyl alcohol

CAS Number

4407-36-7

Average Mass

134.178

Monoisotopic Mass

134.073164942

Chemical Formula

C₉H₁₀O

IUPAC Name

(2E)-3-phenylprop-2-en-1-ol

InChI Key

OOCCDEMITAIZTP-QPJJXVBHSA-N

InChI Identifier

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

SMILES

OC\C=C\C1=CC=CC=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.34e+00 g/l
LogS (ALOGPS): -1.76
LogP (ALOGPS): 1.93
Hydrogen Acceptors: 1
Hydrogen Donors: 1
Rotatable Bond Count: 2
Polar Surface Area: 20.23
Refractivity: 43.1925
Polarizability: 15.344290628711523
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.526312659594935
pKa (strongest acidic): 15.62297059992013
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No

External Links

PubChem: 5315892
ChEBI: 33227
FooDB (Compounds): FDB000888

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Miscellaneous polyphenols
Sub-class: Not Available

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(40.0,5.9);(41.0,30.3);(42.0,2.9);(43.0,0.4);(44.0,9.7);(45.0,4.0);(46.0,14.8);(50.0,0.11);(51.0,18.2);(52.0,41.7);(53.0,9.7);(54.0,0.52);(55.0,27.3);(56.0,5.8);(57.0,6.3);(58.0,0.28);(59.0,2.2);(61.0,2.1);(63.0,6.5);(64.0,1.75);(65.0,12.5);(66.0,3.5);(73.0,3.1);(74.0,0.6);(75.0,5.5);(76.0,6.2);(77.0,45.3);(78.0,5.41);(79.0,27.9);(80.0,1.9);(86.0,2.0);(87.0,0.33);(88.0,1.3);(89.0,10.9);(91.0,68.2);(92.0,8.92);(93.0,7.1);(101.0,1.8);(102.0,10.1);(103.0,3.0);(104.0,6.5);(105.0,57.3);(106.0,7.5);(107.0,0.35);(115.0,65.7);(116.0,22.8);(117.0,13.2);(118.0,0.26);(119.0,1.9);(131.0,6.4);(132.0,5.0);(133.0,2.95);(134.0,99.99);(135.0,10.4);(147.0,1.0)
GC-MS	EI-B	positive	Not Available	View Spectrum	(44.0,2.5);(45.0,2.4);(46.0,7.4);(55.0,0.67);(56.0,3.7);(57.0,1.6);(58.0,1.6);(59.0,0.17);(72.0,1.8);(73.0,1.7);(77.0,2.2);(78.0,2.91);(79.0,7.1);(87.0,3.0);(88.0,1.5);(89.0,0.59);(91.0,33.9);(92.0,73.4);(93.0,5.8);(102.0,0.13);(103.0,7.1);(105.0,33.6);(106.0,5.2);(107.0,0.2);(114.0,2.5);(115.0,15.9);(116.0,11.5);(117.0,0.68);(118.0,1.4);(119.0,1.4);(131.0,2.3);(132.0,0.31);(133.0,25.9);(134.0,99.99);(135.0,9.9);(177.0,1.2)
GC-MS	EI-B	positive	Not Available	View Spectrum	(26.0,1.98);(27.0,12.62);(29.0,9.98);(30.0,1.16);(31.0,8.42);(37.0,1.11);(38.0,3.67);(39.0,19.89);(40.0,1.16);(41.0,1.62);(43.0,2.9);(50.0,15.08);(51.0,34.61);(52.0,8.36);(53.0,3.9);(55.0,22.91);(56.0,4.33);(57.0,4.28);(61.0,1.74);(62.0,5.16);(63.0,16.93);(64.0,2.8);(65.0,10.55);(66.0,3.0);(67.0,1.19);(74.0,5.53);(75.0,5.2);(76.0,5.33);(77.0,49.64);(78.0,63.01);(79.0,28.65);(80.0,1.53);(86.0,1.04);(87.0,2.03);(89.0,9.79);(90.0,2.57);(91.0,79.89);(92.0,99.99);(93.0,7.25);(101.0,1.19);(102.0,9.15);(103.0,23.75);(104.0,4.42);(105.0,55.29);(106.0,5.5);(107.0,2.63);(115.0,42.16);(116.0,15.14);(117.0,7.54);(119.0,1.12);(131.0,4.06);(132.0,1.69);(133.0,18.42);(134.0,67.5);(135.0,5.59)
GC-MS	EI-B	positive	Not Available	View Spectrum	(26.0,1.1);(27.0,11.08);(28.0,2.42);(29.0,4.73);(30.0,1.66);(31.0,4.79);(38.0,2.97);(39.0,15.67);(40.0,1.36);(41.0,1.81);(43.0,3.07);(50.0,10.88);(51.0,28.07);(52.0,6.8);(53.0,3.07);(55.0,21.06);(56.0,5.54);(57.0,4.38);(57.5,3.07);(58.0,1.31);(61.0,1.36);(62.0,4.33);(63.0,11.99);(64.0,2.42);(65.0,9.02);(65.5,1.61);(66.0,3.93);(66.5,1.87);(67.0,2.52);(74.0,4.73);(75.0,4.58);(76.0,4.62);(77.0,40.47);(78.0,55.41);(79.0,24.54);(80.0,1.46);(86.0,1.1);(87.0,1.16);(89.0,7.25);(90.0,2.67);(91.0,69.9);(92.0,99.99);(93.0,7.31);(101.0,1.15);(102.0,6.6);(103.0,21.27);(104.0,4.83);(105.0,53.39);(106.0,6.85);(107.0,3.27);(114.0,1.0);(115.0,35.33);(116.0,12.35);(117.0,8.2);(118.0,1.26);(119.0,1.21);(131.0,4.73);(132.0,1.36);(133.0,19.66);(134.0,85.02);(135.0,8.36)
GC-MS	EI-B	positive	Not Available	View Spectrum	(86.0,0.661572);(87.0,0.342192);(88.0,0.8897);(89.0,6.501654);(90.0,1.254705);(91.1,17.714155);(92.1,0.809855);(93.1,1.026577);(94.1,0.410631);(95.1,2.258469);(96.1,2.50941);(97.1,0.627353);(98.1,0.992358);(100.1,1.448614);(101.1,0.250941);(102.1,2.532223);(103.1,3.353485);(104.1,2.691913);(105.1,3.216608);(106.1,0.741417);(107.1,0.718604);(108.1,0.923919);(109.1,0.798449);(110.1,0.684385);(111.1,1.448614);(112.1,0.650165);(113.1,2.897228);(114.1,1.197673);(115.05,44.67891);(116.1,37.127866);(117.1,100.0);(118.1,10.049048);(119.1,1.083609);(120.1,0.148283);(121.1,1.688149);(122.1,0.524695);(123.1,0.809855);(124.1,0.239535);(125.1,0.650165);(127.1,0.250941);(128.1,0.684385);(129.1,3.570206);(130.1,1.574085);(131.1,8.235428);(132.1,0.752823);(133.1,0.992358);(134.1,0.775636);(135.1,14.155355);(136.1,2.269876);(137.1,1.380176);(138.1,0.307973);(140.1,0.387818);(141.1,0.798449);(142.1,0.661572);(143.1,1.300331);(145.1,3.239421);(146.1,0.775636);(147.1,2.623474);(148.1,1.266112);(149.1,1.482833);(150.1,0.524695);(151.1,0.034219);(152.1,1.083609);(153.1,0.148283);(154.1,0.148283);(155.1,0.376412);(156.1,1.17486);(157.1,1.231892);(159.1,0.501882);(160.1,1.015171);(161.1,1.802213);(162.1,1.072203);(163.1,1.083609);(164.1,0.741417);(166.1,0.923919);(167.1,0.935326);(168.1,0.832668);(169.1,0.809855);(170.1,0.114064);(171.1,0.376412);(172.1,0.593133);(173.1,2.361127);(174.1,1.448614);(175.1,3.87818);(176.1,0.558914);(177.1,3.764115);(178.1,1.083609);(179.1,3.125356);(180.1,0.44485);(183.1,0.216722);(184.1,0.866887);(185.1,0.8897);(186.1,0.296567);(187.1,1.04939);(188.1,1.083609);(189.1,1.357363);(191.0,36.340824);(192.0,7.950268);(193.0,2.726132);(195.0,0.958138);(196.0,0.182503);(197.0,0.387818);(199.0,0.570321);(200.0,0.8897);(201.0,0.410631);(202.0,0.615946);(203.0,0.570321);(204.0,0.433444);(205.05,16.117258);(206.05,43.971712);(207.0,9.741074);(208.0,3.307859);(210.0,0.501882);(211.0,0.296567);(213.0,0.296567);(215.0,0.8897);(216.0,0.524695);(217.0,1.072203);(219.0,3.39911);(220.0,0.467663);(221.0,1.254705);(222.0,0.650165);(223.0,1.288924);(225.0,0.501882);(226.0,0.239535);(227.0,0.342192);(228.0,0.901106);(229.0,0.114064);(230.0,0.15969);(231.0,1.015171);(232.0,0.057032);(233.0,1.163454);(234.0,0.536101);(235.0,1.04939);(236.0,0.775636);(237.0,0.342192);(238.0,0.114064);(240.0,1.106422);(244.0,1.574085);(246.0,0.992358);(247.0,0.034219);(248.0,0.114064);(250.0,0.296567);(251.0,0.980951);(252.0,0.273754);(253.0,2.691913);(254.0,0.707197);(255.0,1.482833);(257.0,0.479069);(258.0,0.615946);(259.0,1.745181);(262.0,0.273754);(264.0,0.661572);(265.0,1.574085);(266.0,0.923919);(269.0,0.44485);(270.0,0.353599);(271.0,0.992358);(272.0,1.17486);(273.0,0.741417);(274.0,1.231892);(275.0,0.650165);(277.0,0.661572);(278.0,1.745181);(279.0,0.980951);(280.0,0.387818);(281.0,0.570321);(282.0,1.140641);(283.0,0.524695);(284.0,0.216722);(285.0,1.254705);(287.0,1.04939);(289.0,0.558914);(290.0,0.627353);(291.0,0.125471);(292.0,0.273754);(294.0,0.114064);(296.0,0.022813);(299.0,0.661572);(300.0,1.528459);(302.0,0.775636);(303.0,1.106422);(304.0,0.182503);(307.0,0.536101);(308.0,0.627353);(309.0,0.992358);(310.0,0.125471);(311.0,0.752823);(312.0,0.558914);(313.0,0.216722);(314.0,0.570321);(315.0,1.471427);(317.0,0.022813);(318.0,0.034219);(319.0,0.627353);(323.0,1.072203);(324.0,0.250941);(325.0,0.433444);(327.0,0.707197);(328.0,1.574085);(329.0,1.631117);(330.0,0.524695);(331.0,0.501882);(332.0,0.718604);(334.0,0.627353);(335.0,0.718604);(336.0,0.022813);(337.0,1.015171);(338.0,0.410631);(340.0,0.741417);(342.0,0.239535);(343.0,0.558914);(344.0,0.593133);(345.0,0.832668);(346.0,1.20908);(347.0,0.741417);(348.0,0.307973);(349.0,0.182503);(350.0,0.239535);(352.0,1.026577);(353.0,1.722368);(354.0,0.467663);(355.0,0.034219);(357.0,0.536101);(358.0,0.866887);(359.0,0.501882);(360.0,0.809855);(361.0,0.558914);(363.0,0.650165);(364.0,0.844074);(365.0,0.034219);(366.0,0.182503);(367.0,0.250941);(368.0,1.288924);(369.0,0.980951);(370.0,0.353599);(371.0,0.844074);(373.0,0.8897);(374.0,1.7794);(378.0,1.163454);(379.0,0.627353);(380.0,1.904871);(381.0,0.593133);(382.0,0.707197);(383.0,0.684385);(384.0,0.387818);(385.0,0.239535);(387.0,0.182503);(388.0,0.330786);(389.0,0.44485);(390.0,1.722368);(391.0,0.022813);(392.0,0.182503);(393.0,1.323144);(394.0,1.482833);(395.0,0.741417);(397.0,0.250941);(398.0,0.832668);(401.0,0.661572);(402.0,0.536101);(403.0,1.083609);(404.0,0.433444);(405.0,0.501882);(406.0,0.570321);(407.0,0.958138);(408.0,0.844074);(409.0,0.798449);(410.0,0.216722);(411.0,0.615946);(413.0,0.752823);(414.0,1.015171);(416.0,0.330786);(417.0,0.376412);(418.0,0.296567);(419.0,0.661572);(420.0,0.558914);(421.0,0.15969);(422.0,0.273754);(424.0,1.140641);(425.0,0.216722);(426.0,0.239535);(427.0,0.376412);(428.0,0.558914);(430.0,1.414395);(434.0,1.562678);(437.0,0.273754);(438.0,0.570321);(440.0,0.536101);(441.0,1.300331);(442.0,0.661572);(443.0,0.205315);(444.0,1.345956);(445.0,0.182503);(446.0,0.182503);(448.0,0.342192);(450.0,0.114064);(451.0,0.216722);(453.0,0.307973);(454.0,1.631117);(455.0,1.231892);(457.0,1.345956);(458.0,0.844074);(459.0,0.467663);(462.0,1.106422);(463.0,0.479069);(464.0,0.741417);(465.0,0.387818);(466.0,1.106422);(467.0,0.901106);(468.0,0.558914);(471.0,0.935326);(472.0,1.266112);(474.0,0.410631);(476.0,1.026577);(477.0,0.307973);(480.0,0.923919);(481.0,0.479069);(484.0,1.471427);(485.0,0.536101);(486.0,0.387818);(487.0,0.205315);(488.0,1.026577);(489.0,0.307973);(490.0,0.844074);(491.0,0.353599);(492.0,0.479069);(493.0,0.524695);(494.0,1.448614);(495.0,0.15969);(496.0,0.467663);(498.0,0.387818);(499.0,0.034219)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,1.501502);(86.0,0.900901);(87.0,1.901902);(88.0,2.302302);(89.0,10.01001);(90.0,1.601602);(91.0,26.626627);(92.0,2.502503);(93.0,0.3003);(94.0,0.1001);(95.0,0.4004);(96.0,1.001001);(98.0,0.2002);(99.0,0.3003);(101.0,0.700701);(102.0,4.104104);(103.0,5.605606);(104.0,2.602603);(105.0,4.404404);(106.0,0.3003);(107.0,0.4004);(109.0,0.1001);(110.0,0.1001);(111.0,0.4004);(113.0,3.003003);(114.0,1.601602);(115.0,71.371371);(116.0,42.642643);(117.0,100.0);(118.0,10.910911);(119.0,0.900901);(120.0,0.1001);(121.0,0.4004);(127.0,0.3003);(128.0,1.101101);(129.0,2.902903);(130.0,0.600601);(131.0,4.004004);(132.0,1.901902);(133.0,0.800801);(134.0,0.3003);(135.0,14.114114);(136.0,2.102102);(137.0,0.800801);(143.0,0.1001);(145.0,1.401401);(146.0,0.2002);(147.0,0.700701);(148.0,0.2002);(149.0,0.4004);(154.0,0.1001);(159.0,0.2002);(161.0,1.501502);(162.0,0.4004);(163.0,0.3003);(173.0,1.201201);(174.0,0.1001);(175.0,2.602603);(176.0,0.4004);(177.0,1.601602);(178.0,0.2002);(179.0,2.702703);(180.0,0.3003);(189.0,0.2002);(190.0,0.1001);(191.0,26.526527);(192.0,5.205205);(193.0,1.401401);(204.0,0.1001);(205.0,11.811812);(206.0,28.428428);(207.0,5.705706);(208.0,1.401401);(209.0,0.1001)
GC-MS	EI-B	positive	Not Available	View Spectrum	(40.0,5.9);(41.0,30.3);(42.0,2.9);(43.0,0.4);(44.0,9.7);(45.0,4.0);(46.0,14.8);(50.0,0.11);(51.0,18.2);(52.0,41.7);(53.0,9.7);(54.0,0.52);(55.0,27.3);(56.0,5.8);(57.0,6.3);(58.0,0.28);(59.0,2.2);(61.0,2.1);(63.0,6.5);(64.0,1.75);(65.0,12.5);(66.0,3.5);(73.0,3.1);(74.0,0.6);(75.0,5.5);(76.0,6.2);(77.0,45.3);(78.0,5.41);(79.0,27.9);(80.0,1.9);(86.0,2.0);(87.0,0.33);(88.0,1.3);(89.0,10.9);(91.0,68.2);(92.0,8.92);(93.0,7.1);(101.0,1.8);(102.0,10.1);(103.0,3.0);(104.0,6.5);(105.0,57.3);(106.0,7.5);(107.0,0.35);(115.0,65.7);(116.0,22.8);(117.0,13.2);(118.0,0.26);(119.0,1.9);(131.0,6.4);(132.0,5.0);(133.0,2.95);(134.0,99.99);(135.0,10.4);(147.0,1.0)
GC-MS	EI-B	positive	Not Available	View Spectrum	(44.0,2.5);(45.0,2.4);(46.0,7.4);(55.0,0.67);(56.0,3.7);(57.0,1.6);(58.0,1.6);(59.0,0.17);(72.0,1.8);(73.0,1.7);(77.0,2.2);(78.0,2.91);(79.0,7.1);(87.0,3.0);(88.0,1.5);(89.0,0.59);(91.0,33.9);(92.0,73.4);(93.0,5.8);(102.0,0.13);(103.0,7.1);(105.0,33.6);(106.0,5.2);(107.0,0.2);(114.0,2.5);(115.0,15.9);(116.0,11.5);(117.0,0.68);(118.0,1.4);(119.0,1.4);(131.0,2.3);(132.0,0.31);(133.0,25.9);(134.0,99.99);(135.0,9.9);(177.0,1.2)
GC-MS	EI-B	positive	Not Available	View Spectrum	(26.0,1.98);(27.0,12.62);(29.0,9.98);(30.0,1.16);(31.0,8.42);(37.0,1.11);(38.0,3.67);(39.0,19.89);(40.0,1.16);(41.0,1.62);(43.0,2.9);(50.0,15.08);(51.0,34.61);(52.0,8.36);(53.0,3.9);(55.0,22.91);(56.0,4.33);(57.0,4.28);(61.0,1.74);(62.0,5.16);(63.0,16.93);(64.0,2.8);(65.0,10.55);(66.0,3.0);(67.0,1.19);(74.0,5.53);(75.0,5.2);(76.0,5.33);(77.0,49.64);(78.0,63.01);(79.0,28.65);(80.0,1.53);(86.0,1.04);(87.0,2.03);(89.0,9.79);(90.0,2.57);(91.0,79.89);(92.0,99.99);(93.0,7.25);(101.0,1.19);(102.0,9.15);(103.0,23.75);(104.0,4.42);(105.0,55.29);(106.0,5.5);(107.0,2.63);(115.0,42.16);(116.0,15.14);(117.0,7.54);(119.0,1.12);(131.0,4.06);(132.0,1.69);(133.0,18.42);(134.0,67.5);(135.0,5.59)
GC-MS	EI-B	positive	Not Available	View Spectrum	(26.0,1.1);(27.0,11.08);(28.0,2.42);(29.0,4.73);(30.0,1.66);(31.0,4.79);(38.0,2.97);(39.0,15.67);(40.0,1.36);(41.0,1.81);(43.0,3.07);(50.0,10.88);(51.0,28.07);(52.0,6.8);(53.0,3.07);(55.0,21.06);(56.0,5.54);(57.0,4.38);(57.5,3.07);(58.0,1.31);(61.0,1.36);(62.0,4.33);(63.0,11.99);(64.0,2.42);(65.0,9.02);(65.5,1.61);(66.0,3.93);(66.5,1.87);(67.0,2.52);(74.0,4.73);(75.0,4.58);(76.0,4.62);(77.0,40.47);(78.0,55.41);(79.0,24.54);(80.0,1.46);(86.0,1.1);(87.0,1.16);(89.0,7.25);(90.0,2.67);(91.0,69.9);(92.0,99.99);(93.0,7.31);(101.0,1.15);(102.0,6.6);(103.0,21.27);(104.0,4.83);(105.0,53.39);(106.0,6.85);(107.0,3.27);(114.0,1.0);(115.0,35.33);(116.0,12.35);(117.0,8.2);(118.0,1.26);(119.0,1.21);(131.0,4.73);(132.0,1.36);(133.0,19.66);(134.0,85.02);(135.0,8.36)
GC-MS	EI-B	positive	Not Available	View Spectrum	(86.0,0.661572);(87.0,0.342192);(88.0,0.8897);(89.0,6.501654);(90.0,1.254705);(91.1,17.714155);(92.1,0.809855);(93.1,1.026577);(94.1,0.410631);(95.1,2.258469);(96.1,2.50941);(97.1,0.627353);(98.1,0.992358);(100.1,1.448614);(101.1,0.250941);(102.1,2.532223);(103.1,3.353485);(104.1,2.691913);(105.1,3.216608);(106.1,0.741417);(107.1,0.718604);(108.1,0.923919);(109.1,0.798449);(110.1,0.684385);(111.1,1.448614);(112.1,0.650165);(113.1,2.897228);(114.1,1.197673);(115.05,44.67891);(116.1,37.127866);(117.1,100.0);(118.1,10.049048);(119.1,1.083609);(120.1,0.148283);(121.1,1.688149);(122.1,0.524695);(123.1,0.809855);(124.1,0.239535);(125.1,0.650165);(127.1,0.250941);(128.1,0.684385);(129.1,3.570206);(130.1,1.574085);(131.1,8.235428);(132.1,0.752823);(133.1,0.992358);(134.1,0.775636);(135.1,14.155355);(136.1,2.269876);(137.1,1.380176);(138.1,0.307973);(140.1,0.387818);(141.1,0.798449);(142.1,0.661572);(143.1,1.300331);(145.1,3.239421);(146.1,0.775636);(147.1,2.623474);(148.1,1.266112);(149.1,1.482833);(150.1,0.524695);(151.1,0.034219);(152.1,1.083609);(153.1,0.148283);(154.1,0.148283);(155.1,0.376412);(156.1,1.17486);(157.1,1.231892);(159.1,0.501882);(160.1,1.015171);(161.1,1.802213);(162.1,1.072203);(163.1,1.083609);(164.1,0.741417);(166.1,0.923919);(167.1,0.935326);(168.1,0.832668);(169.1,0.809855);(170.1,0.114064);(171.1,0.376412);(172.1,0.593133);(173.1,2.361127);(174.1,1.448614);(175.1,3.87818);(176.1,0.558914);(177.1,3.764115);(178.1,1.083609);(179.1,3.125356);(180.1,0.44485);(183.1,0.216722);(184.1,0.866887);(185.1,0.8897);(186.1,0.296567);(187.1,1.04939);(188.1,1.083609);(189.1,1.357363);(191.0,36.340824);(192.0,7.950268);(193.0,2.726132);(195.0,0.958138);(196.0,0.182503);(197.0,0.387818);(199.0,0.570321);(200.0,0.8897);(201.0,0.410631);(202.0,0.615946);(203.0,0.570321);(204.0,0.433444);(205.05,16.117258);(206.05,43.971712);(207.0,9.741074);(208.0,3.307859);(210.0,0.501882);(211.0,0.296567);(213.0,0.296567);(215.0,0.8897);(216.0,0.524695);(217.0,1.072203);(219.0,3.39911);(220.0,0.467663);(221.0,1.254705);(222.0,0.650165);(223.0,1.288924);(225.0,0.501882);(226.0,0.239535);(227.0,0.342192);(228.0,0.901106);(229.0,0.114064);(230.0,0.15969);(231.0,1.015171);(232.0,0.057032);(233.0,1.163454);(234.0,0.536101);(235.0,1.04939);(236.0,0.775636);(237.0,0.342192);(238.0,0.114064);(240.0,1.106422);(244.0,1.574085);(246.0,0.992358);(247.0,0.034219);(248.0,0.114064);(250.0,0.296567);(251.0,0.980951);(252.0,0.273754);(253.0,2.691913);(254.0,0.707197);(255.0,1.482833);(257.0,0.479069);(258.0,0.615946);(259.0,1.745181);(262.0,0.273754);(264.0,0.661572);(265.0,1.574085);(266.0,0.923919);(269.0,0.44485);(270.0,0.353599);(271.0,0.992358);(272.0,1.17486);(273.0,0.741417);(274.0,1.231892);(275.0,0.650165);(277.0,0.661572);(278.0,1.745181);(279.0,0.980951);(280.0,0.387818);(281.0,0.570321);(282.0,1.140641);(283.0,0.524695);(284.0,0.216722);(285.0,1.254705);(287.0,1.04939);(289.0,0.558914);(290.0,0.627353);(291.0,0.125471);(292.0,0.273754);(294.0,0.114064);(296.0,0.022813);(299.0,0.661572);(300.0,1.528459);(302.0,0.775636);(303.0,1.106422);(304.0,0.182503);(307.0,0.536101);(308.0,0.627353);(309.0,0.992358);(310.0,0.125471);(311.0,0.752823);(312.0,0.558914);(313.0,0.216722);(314.0,0.570321);(315.0,1.471427);(317.0,0.022813);(318.0,0.034219);(319.0,0.627353);(323.0,1.072203);(324.0,0.250941);(325.0,0.433444);(327.0,0.707197);(328.0,1.574085);(329.0,1.631117);(330.0,0.524695);(331.0,0.501882);(332.0,0.718604);(334.0,0.627353);(335.0,0.718604);(336.0,0.022813);(337.0,1.015171);(338.0,0.410631);(340.0,0.741417);(342.0,0.239535);(343.0,0.558914);(344.0,0.593133);(345.0,0.832668);(346.0,1.20908);(347.0,0.741417);(348.0,0.307973);(349.0,0.182503);(350.0,0.239535);(352.0,1.026577);(353.0,1.722368);(354.0,0.467663);(355.0,0.034219);(357.0,0.536101);(358.0,0.866887);(359.0,0.501882);(360.0,0.809855);(361.0,0.558914);(363.0,0.650165);(364.0,0.844074);(365.0,0.034219);(366.0,0.182503);(367.0,0.250941);(368.0,1.288924);(369.0,0.980951);(370.0,0.353599);(371.0,0.844074);(373.0,0.8897);(374.0,1.7794);(378.0,1.163454);(379.0,0.627353);(380.0,1.904871);(381.0,0.593133);(382.0,0.707197);(383.0,0.684385);(384.0,0.387818);(385.0,0.239535);(387.0,0.182503);(388.0,0.330786);(389.0,0.44485);(390.0,1.722368);(391.0,0.022813);(392.0,0.182503);(393.0,1.323144);(394.0,1.482833);(395.0,0.741417);(397.0,0.250941);(398.0,0.832668);(401.0,0.661572);(402.0,0.536101);(403.0,1.083609);(404.0,0.433444);(405.0,0.501882);(406.0,0.570321);(407.0,0.958138);(408.0,0.844074);(409.0,0.798449);(410.0,0.216722);(411.0,0.615946);(413.0,0.752823);(414.0,1.015171);(416.0,0.330786);(417.0,0.376412);(418.0,0.296567);(419.0,0.661572);(420.0,0.558914);(421.0,0.15969);(422.0,0.273754);(424.0,1.140641);(425.0,0.216722);(426.0,0.239535);(427.0,0.376412);(428.0,0.558914);(430.0,1.414395);(434.0,1.562678);(437.0,0.273754);(438.0,0.570321);(440.0,0.536101);(441.0,1.300331);(442.0,0.661572);(443.0,0.205315);(444.0,1.345956);(445.0,0.182503);(446.0,0.182503);(448.0,0.342192);(450.0,0.114064);(451.0,0.216722);(453.0,0.307973);(454.0,1.631117);(455.0,1.231892);(457.0,1.345956);(458.0,0.844074);(459.0,0.467663);(462.0,1.106422);(463.0,0.479069);(464.0,0.741417);(465.0,0.387818);(466.0,1.106422);(467.0,0.901106);(468.0,0.558914);(471.0,0.935326);(472.0,1.266112);(474.0,0.410631);(476.0,1.026577);(477.0,0.307973);(480.0,0.923919);(481.0,0.479069);(484.0,1.471427);(485.0,0.536101);(486.0,0.387818);(487.0,0.205315);(488.0,1.026577);(489.0,0.307973);(490.0,0.844074);(491.0,0.353599);(492.0,0.479069);(493.0,0.524695);(494.0,1.448614);(495.0,0.15969);(496.0,0.467663);(498.0,0.387818);(499.0,0.034219)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,1.501502);(86.0,0.900901);(87.0,1.901902);(88.0,2.302302);(89.0,10.01001);(90.0,1.601602);(91.0,26.626627);(92.0,2.502503);(93.0,0.3003);(94.0,0.1001);(95.0,0.4004);(96.0,1.001001);(98.0,0.2002);(99.0,0.3003);(101.0,0.700701);(102.0,4.104104);(103.0,5.605606);(104.0,2.602603);(105.0,4.404404);(106.0,0.3003);(107.0,0.4004);(109.0,0.1001);(110.0,0.1001);(111.0,0.4004);(113.0,3.003003);(114.0,1.601602);(115.0,71.371371);(116.0,42.642643);(117.0,100.0);(118.0,10.910911);(119.0,0.900901);(120.0,0.1001);(121.0,0.4004);(127.0,0.3003);(128.0,1.101101);(129.0,2.902903);(130.0,0.600601);(131.0,4.004004);(132.0,1.901902);(133.0,0.800801);(134.0,0.3003);(135.0,14.114114);(136.0,2.102102);(137.0,0.800801);(143.0,0.1001);(145.0,1.401401);(146.0,0.2002);(147.0,0.700701);(148.0,0.2002);(149.0,0.4004);(154.0,0.1001);(159.0,0.2002);(161.0,1.501502);(162.0,0.4004);(163.0,0.3003);(173.0,1.201201);(174.0,0.1001);(175.0,2.602603);(176.0,0.4004);(177.0,1.601602);(178.0,0.2002);(179.0,2.702703);(180.0,0.3003);(189.0,0.2002);(190.0,0.1001);(191.0,26.526527);(192.0,5.205205);(193.0,1.401401);(204.0,0.1001);(205.0,11.811812);(206.0,28.428428);(207.0,5.705706);(208.0,1.401401);(209.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(30.01001472,0.9989831808);(31.01783932,2.616850621);(39.02292522,1.1722255);(43.01783932,0.9122061164);(65.03857442,0.7464856303);(78.04639902,1.037108219);(80.02566392,0.7695226015);(90.04639902,2.320565068);(91.05422362,6.292877238);(92.02566392,0.9491636962);(92.06204822,1.744456148);(93.03348852,1.864220288);(93.06987282,0.7753429641);(95.04913772,1.233266717);(101.0385744,1.408361628);(102.046399,4.44857772);(103.0542236,5.675794854);(104.0256639,0.7603979685);(104.0620482,4.874076865);(105.0334885,0.9475056541);(105.0698728,3.378451162);(106.0413131,1.094209196);(106.0776974,1.722552496);(116.0620482,6.360334918);(117.0698728,4.009870149);(118.0413131,1.278867508);(119.0491377,2.120167263);(132.0569623,1.334874006);(133.0647869,1.397142025);(134.0726115,7.419643484);(135.0760128,0.7614066225)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(57.01550142,0.8210620646);(59.03115062,1.762363341);(71.03115062,2.1749873);(73.01041552,1.570331074);(73.04679982,12.16990307);(74.04796012,1.041332803);(74.05462442,1.611418316);(75.02606472,3.82391095);(75.06244902,2.375037758);(89.04171392,7.343961885);(90.04639902,0.810935603);(90.04953852,1.629119908);(91.05422362,3.561317642);(91.05736312,2.555225193);(92.06204822,0.8084738453);(93.06987282,0.7419215844);(102.046399,0.8799959754);(103.0542236,2.427603982);(103.0573631,2.298954962);(104.0620482,1.251832642);(105.0698728,1.288095785);(116.0620482,1.463581237);(117.0698728,6.406802681);(133.0647869,2.106102839);(134.0726115,1.175125886);(135.0804361,1.087493891);(190.0808369,0.9093385427);(191.0886615,5.662539865);(192.0909688,0.9988301755);(205.1043107,0.8890228536);(206.1121353,1.74549724)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(30.01001472,0.9989831808);(31.01783932,2.616850621);(39.02292522,1.1722255);(43.01783932,0.9122061164);(65.03857442,0.7464856303);(78.04639902,1.037108219);(80.02566392,0.7695226015);(90.04639902,2.320565068);(91.05422362,6.292877238);(92.02566392,0.9491636962);(92.06204822,1.744456148);(93.03348852,1.864220288);(93.06987282,0.7753429641);(95.04913772,1.233266717);(101.0385744,1.408361628);(102.046399,4.44857772);(103.0542236,5.675794854);(104.0256639,0.7603979685);(104.0620482,4.874076865);(105.0334885,0.9475056541);(105.0698728,3.378451162);(106.0413131,1.094209196);(106.0776974,1.722552496);(116.0620482,6.360334918);(117.0698728,4.009870149);(118.0413131,1.278867508);(119.0491377,2.120167263);(132.0569623,1.334874006);(133.0647869,1.397142025);(134.0726115,7.419643484);(135.0760128,0.7614066225)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(30.01001472,0.9989831808);(31.01783932,2.616850621);(39.02292522,1.1722255);(43.01783932,0.9122061164);(65.03857442,0.7464856303);(78.04639902,1.037108219);(80.02566392,0.7695226015);(90.04639902,2.320565068);(91.05422362,6.292877238);(92.02566392,0.9491636962);(92.06204822,1.744456148);(93.03348852,1.864220288);(93.06987282,0.7753429641);(95.04913772,1.233266717);(101.0385744,1.408361628);(102.046399,4.44857772);(103.0542236,5.675794854);(104.0256639,0.7603979685);(104.0620482,4.874076865);(105.0334885,0.9475056541);(105.0698728,3.378451162);(106.0413131,1.094209196);(106.0776974,1.722552496);(116.0620482,6.360334918);(117.0698728,4.009870149);(118.0413131,1.278867508);(119.0491377,2.120167263);(132.0569623,1.334874006);(133.0647869,1.397142025);(134.0726115,7.419643484);(135.0760128,0.7614066225)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.1007479369);(31.01838972,0.0673910211);(41.03912516,0.1091499695);(43.01838972,0.9467914012);(45.03403978,2.134851227);(51.0234751,0.1174660621);(53.03912516,0.1068940333);(55.01838972,0.3807656087);(57.03403978,1.325052479);(65.03912516,0.0913369396);(67.01838972,0.0259214965);(67.05477522,0.0897960706);(69.03403978,0.0439000783);(71.04968984,0.0584456376);(79.01838972,0.0575619296);(79.05477522,0.540936824);(81.03403978,0.078593788);(81.07042529,0.0351266603);(83.04968984,0.0560581882);(91.05477522,3.606693521);(93.07042529,1.3649932);(95.04968984,0.0974813772);(101.0391252,0.0782089264);(103.0547752,3.41696269);(105.0340398,0.0571137389);(105.0704253,1.107383526);(107.0496898,0.0807658959);(109.0653399,0.0783164074);(117.0704253,43.54506773);(119.0496898,0.1921009059);(135.08099,40.00812473)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.5530184296);(31.01838972,0.1578166592);(41.03912516,0.1859473699);(43.01838972,2.799826959);(45.03403978,1.261897839);(51.0234751,0.3845014397);(53.03912516,0.3145974038);(55.01838972,1.535644273);(57.03403978,4.735908407);(65.03912516,0.2890655275);(67.01838972,0.1391936531);(67.05477522,0.2997778678);(71.04968984,0.1168464461);(75.0234751,0.1143329393);(77.03912516,0.1192468754);(79.05477522,1.05215695);(81.03403978,0.1765880549);(81.07042529,0.1866748875);(89.03912516,0.3816295804);(91.05477522,4.310158062);(93.07042529,0.9474273647);(95.04968984,0.2229599974);(101.0391252,0.2849210739);(103.0547752,3.214895409);(105.0340398,0.2379294474);(105.0704253,1.518199245);(107.0496898,0.5228489401);(109.0653399,0.3218215012);(117.0704253,53.83973002);(119.0496898,0.5424493835);(135.08099,19.23198799)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,5.097434774);(31.01838972,0.6652035538);(41.03912516,1.177024293);(43.01838972,3.321684112);(45.03403978,2.400640334);(51.0234751,3.819303884);(53.03912516,2.082218745);(55.01838972,3.549774807);(57.03403978,4.038244284);(57.07042529,0.1557644509);(65.03912516,2.88315308);(67.01838972,0.4026205423);(67.05477522,1.065606591);(75.0234751,2.290596419);(77.03912516,2.141715814);(79.01838972,0.9333005198);(79.05477522,1.647649154);(81.07042529,0.3299196685);(89.03912516,2.511702693);(91.05477522,17.98285235);(93.07042529,2.10430599);(95.04968984,0.2824336107);(101.0391252,3.428884956);(103.0547752,7.514066244);(105.0340398,0.2881476554);(105.0704253,3.089047957);(107.0496898,0.3218790562);(109.0653399,0.156117466);(117.0704253,23.72989227);(119.0496898,0.3508573501);(135.08099,0.2379573768)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,1.125951708);(25.00782503,0.0072862838);(29.00273965,0.2820873163);(31.01838972,0.2450425222);(39.0234751,0.0106984171);(41.00273965,0.1123830534);(41.03912516,0.003327979);(43.01838972,0.3593490352);(49.00782503,0.0074214295);(51.0234751,0.0558907744);(55.01838972,0.0206591115);(65.00273965,0.0039073761);(65.03912516,0.0175582126);(67.05477522,0.0086777946);(69.03403978,0.0175582126);(77.03912516,0.158030721);(79.01838972,0.0074214295);(79.05477522,0.0083543325);(81.03403978,0.0515711752);(87.0234751,0.0030389065);(89.03912516,0.1667699577);(91.01838972,0.0053707893);(91.05477522,0.1712813776);(101.0391252,1.148831131);(103.0183897,0.0107502757);(103.0547752,14.01901255);(105.0340398,0.0265651954);(107.0496898,0.1424139632);(115.0547752,10.04060421);(117.0340398,0.1122164308);(133.0653399,71.64996833)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,2.631144104);(25.00782503,0.1367313001);(29.00273965,0.626141993);(31.01838972,0.3055840829);(39.0234751,0.0737474185);(41.00273965,1.25430294);(41.03912516,0.0229580581);(43.01838972,2.164648037);(49.00782503,0.023239993);(51.0234751,0.0825745612);(53.00273965,0.0153258656);(55.01838972,0.0866992094);(65.00273965,0.0180948926);(65.03912516,0.1024602575);(67.05477522,0.0310124269);(69.03403978,0.1024602575);(77.03912516,0.5221198736);(79.01838972,0.023239993);(81.03403978,0.0673683169);(87.0234751,0.0340830198);(89.03912516,2.207255559);(91.01838972,0.0220406334);(91.05477522,1.256318376);(101.0391252,2.512304557);(103.0183897,0.1262207517);(103.0547752,20.61811463);(105.0340398,0.1769983255);(107.0496898,0.2829596257);(115.0547752,19.11441196);(117.0340398,0.3831223117);(133.0653399,44.97631667)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(17.00273965,1.585486013);(25.00782503,1.447987496);(29.00273965,3.739543766);(31.01838972,1.049404349);(39.0234751,0.1978790025);(41.00273965,6.105792901);(43.01838972,15.38233403);(51.0234751,0.9724538888);(53.00273965,1.080103453);(55.01838972,1.163820296);(63.0234751,0.377008632);(65.00273965,0.3533274493);(65.03912516,0.1958098911);(69.03403978,0.1958098911);(73.00782503,0.3834788259);(77.03912516,5.451152921);(79.05477522,0.2836438368);(81.03403978,0.4453428769);(87.0234751,0.7129562105);(89.03912516,11.1158679);(91.01838972,0.5279490302);(91.05477522,5.083560762);(99.0234751,0.3588421968);(101.0391252,5.168056672);(103.0183897,0.5293256331);(103.0547752,11.5179103);(105.0340398,0.8903738101);(107.0496898,1.078812504);(115.0547752,16.252564);(117.0340398,1.82256193);(133.0653399,4.53083953)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(91.05423,56.84);(91.05423,56.84);(91.05423,56.84);(91.05423,56.84);(91.05423,56.84);(103.05423,10.85);(103.05423,10.85);(103.05423,10.85);(117.06988,100.0);(117.06988,100.0);(117.06988,100.0);(117.06988,100.0);(135.08044,14.63);(135.08044,14.63);(135.08044,14.63);(135.08044,14.63)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(65.03858,9.97);(65.03858,9.97);(77.03858,15.26);(77.03858,15.26);(89.03858,11.29);(89.03858,11.29);(89.03858,11.29);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(103.05423,35.51);(103.05423,35.51);(103.05423,35.51);(117.06988,40.83);(117.06988,40.83);(117.06988,40.83);(117.06988,40.83);(133.06479,15.29);(133.06479,15.29);(133.06479,15.29)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(63.02293,9.94);(65.03858,37.76);(65.03858,37.76);(75.02293,11.99);(75.02293,11.99);(77.03858,27.47);(77.03858,27.47);(89.03858,20.37);(89.03858,20.37);(89.03858,20.37);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(91.05423,100.0);(103.05423,16.7);(103.05423,16.7);(103.05423,16.7);(117.06988,12.86);(117.06988,12.86);(117.06988,12.86);(117.06988,12.86)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(91.05532,19.18);(91.05532,19.18);(91.05532,19.18);(91.05532,19.18);(103.05532,100.0);(103.05532,100.0);(103.05532,100.0);(103.05532,100.0);(115.05532,29.28);(115.05532,29.28);(115.05532,29.28);(115.05532,29.28)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(91.05532,74.87);(91.05532,74.87);(91.05532,74.87);(91.05532,74.87);(103.05532,64.53);(103.05532,64.53);(103.05532,64.53);(103.05532,64.53);(115.05532,100.0);(115.05532,100.0);(115.05532,100.0);(115.05532,100.0);(133.06589,27.86);(133.06589,27.86);(133.06589,27.86);(133.06589,27.86)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(63.02402,31.19);(65.00329,58.88);(65.03967,40.31);(65.03967,40.31);(77.03967,100.0);(77.03967,100.0);(77.03967,100.0);(89.00329,13.99);(91.01894,14.88);(91.05532,47.39);(91.05532,47.39);(91.05532,47.39);(91.05532,47.39);(103.05532,22.38);(103.05532,22.38);(103.05532,22.38);(103.05532,22.38);(115.05532,41.86);(115.05532,41.86);(115.05532,41.86);(115.05532,41.86);(131.05024,15.66)

Food Sources

	Name	Group
	Cinnamon	Herbs and Spices	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-Cinnamyl alcohol