PhytoHub: Showing entry for Carotene-beta

Carotene-beta

Identification

PhytoHub ID

PHUB000350

Name

Carotene-beta

Systematic Name

β-Carotene

Synonyms

Carotene

CAS Number

7235-40-7

Average Mass

536.888

Monoisotopic Mass

536.438201803

Chemical Formula

C₄₀H₅₆

IUPAC Name

1,3,3-trimethyl-2-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene

InChI Key

OENHQHLEOONYIE-KBPBZLIPSA-N

InChI Identifier

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+

SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.91e-04 g/l
LogS (ALOGPS): -6.14
LogP (ALOGPS): 9.72
Hydrogen Acceptors: 0
Hydrogen Donors: 0
Rotatable Bond Count: 10
Polar Surface Area: 0.0
Refractivity: 191.61180000000004
Polarizability: 70.97763114319031
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available
Number of Rings: 2
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 67188
ChEBI: 17579
PubChem: 5280489
Chemistry Dashboard: DTXSID3020253
KNApSAcK: C00000919
MetaboLights: MTBLC17579
Exposome Explorer: 89

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Carotenoids
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Tetraterpenoids
Direct Parent Name: Carotenes
Alternative Parent Names: ["Branched unsaturated hydrocarbons", "Cycloalkenes", "Unsaturated aliphatic hydrocarbons"]
External Descriptor Annotations: Not Available
Substituent Names: ["Aliphatic homomonocyclic compound", "Branched unsaturated hydrocarbon", "Carotene", "Cyclic olefin", "Cycloalkene", "Hydrocarbon", "Olefin", "Unsaturated aliphatic hydrocarbon", "Unsaturated hydrocarbon"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(41.03857442,1.201457171);(53.03857442,0.7316894673);(55.05422362,2.734699113);(67.05422362,1.183497028);(69.06987282,2.949561189);(121.1011712,0.8263091434);(123.1168204,1.042840225);(135.1168204,0.7188712205);(175.1481188,1.460459801);(177.163768,0.9278122851);(241.1950664,1.381056335);(243.2107156,0.8773701999);(293.2263648,0.7280030934);(295.242014,1.039276859);(321.2576632,0.9922820205);(361.2889616,0.983650292);(387.3046108,0.9393895597);(451.3359092,0.7731678663);(465.3515584,1.168069009);(479.3672076,0.8009249384);(481.3828568,0.8667460065);(493.3828568,1.038858395);(495.398506,1.148733233);(507.398506,1.550031706);(508.4063306,0.7676647855);(509.4141552,0.8032447414);(520.4063306,1.759040487);(521.4097373,0.7816541261);(521.4141552,10.1524496);(522.4175629,4.512905395);(523.4209732,0.9782118948)
LC-MS/MS	Quattro_QQQ	Positive	low	View Spectrum	(63.188,12.434);(69.648,10.127);(74.766,10.127);(76.473,11.663);(79.154,13.199);(81.957,15.505);(89.635,10.898);(94.145,13.199);(94.511,10.898);(104.017,10.127);(106.089,11.663);(106.211,11.663);(106.333,11.663);(106.699,11.663);(110.111,10.898);(112.793,10.127);(121.569,12.434);(130.588,10.898);(137.049,10.898);(139.73,11.663);(155.211,10.898);(155.698,12.434);(167.401,10.127);(167.888,13.969);(169.107,11.663);(170.57,10.127);(180.078,15.505);(181.663,36.243);(191.415,100.0);(192.025,11.663);(192.147,11.663);(204.825,10.898);(207.995,34.707);(210.189,10.898);(216.406,14.735);(216.894,15.505);(219.698,10.898);(219.82,10.898);(222.502,12.434);(229.695,10.898);(231.889,11.663);(234.45,11.663);(234.693,19.348);(239.448,11.663);(239.57,13.969);(240.789,11.663);(246.763,10.898);(252.25,13.969);(253.225,11.663);(259.321,13.969);(259.565,12.434);(265.417,12.434);(269.928,10.127);(274.318,10.898);(277.488,10.127);(277.61,12.434);(280.414,10.127);(281.877,11.663);(284.194,10.127);(284.804,10.898);(287.73,10.898);(290.778,10.127);(295.777,13.969);(299.801,14.735);(301.874,12.434);(314.555,10.127);(317.725,11.663);(320.164,11.663);(320.53,10.898);(326.627,11.663);(329.431,12.434);(329.553,13.199);(332.358,11.663);(335.406,13.199);(347.601,10.898);(356.99,10.127);(359.673,15.505);(363.453,10.127);(364.673,12.434);(370.16,10.127);(387.843,10.127);(390.648,13.969);(393.697,10.127);(400.404,17.041);(400.526,13.199);(415.405,13.199);(418.21,20.884);(421.503,10.898);(424.186,11.663);(424.308,11.663);(426.381,12.434);(427.113,12.434);(430.284,10.898);(433.577,10.898);(454.067,13.969);(455.286,10.127);(461.019,10.898);(465.044,13.969);(470.532,20.113);(473.459,10.898);(478.094,13.199);(480.899,12.434);(485.412,12.434);(485.534,10.898);(492.608,10.898);(497.487,10.127);(497.609,11.663);(501.39,13.199);(501.512,10.127);(503.586,13.199);(510.172,13.199);(510.294,13.199);(513.466,13.969);(513.588,16.271);(519.198,11.663);(521.272,11.663);(525.663,10.898);(528.346,12.434);(528.59,10.898);(531.03,11.663);(536.763,71.578);(542.252,10.127);(551.034,12.434);(561.036,13.969);(562.622,10.127);(565.306,10.127);(566.647,10.898);(572.502,10.127);(580.309,12.434);(592.385,10.898);(592.507,10.898);(595.435,12.434);(595.679,15.505)
LC-MS/MS	Quattro_QQQ	Positive	med	View Spectrum	(55.023,14.503);(70.501,11.45);(75.498,12.211);(75.619,12.211);(77.813,10.685);(84.76,10.685);(86.466,11.45);(91.342,12.977);(94.754,10.685);(104.139,10.685);(106.821,13.737);(110.111,18.317);(114.134,11.45);(116.206,10.685);(119.74,11.45);(122.422,11.45);(123.031,11.45);(125.591,16.029);(128.882,11.45);(134.733,13.737);(140.462,11.45);(140.584,12.211);(143.875,10.685);(146.556,18.317);(149.969,11.45);(158.746,13.737);(177.518,10.685);(183.491,11.45);(195.682,13.737);(201.899,19.082);(203.362,12.211);(208.97,10.685);(213.968,13.737);(214.334,13.737);(223.843,11.45);(226.038,10.685);(226.525,12.211);(235.303,10.685);(238.107,12.211);(238.717,12.211);(241.521,11.45);(241.643,11.45);(243.593,10.685);(246.885,12.211);(250.787,10.685);(250.909,10.685);(253.591,17.556);(256.761,11.45);(263.954,10.685);(268.953,11.45);(269.563,10.685);(275.049,10.685);(277.244,11.45);(281.146,12.977);(287.73,10.685);(290.534,10.685);(298.094,11.45);(306.02,11.45);(313.214,13.737);(318.091,11.45);(318.579,12.211);(324.676,10.685);(336.382,12.211);(336.504,12.977);(336.748,12.977);(339.43,10.685);(339.552,12.977);(342.357,12.977);(348.454,10.685);(348.942,10.685);(360.649,19.082);(366.624,11.45);(377.355,11.45);(378.209,11.45);(380.282,10.685);(383.209,12.211);(384.185,12.977);(385.404,10.685);(391.38,13.737);(396.258,10.685);(397.478,14.503);(403.697,11.45);(409.673,12.211);(410.649,12.211);(415.771,12.977);(425.528,11.45);(431.26,10.685);(433.455,12.211);(434.431,11.45);(437.236,10.685);(443.334,12.211);(446.627,12.977);(449.31,11.45);(451.018,10.685);(452.603,12.977);(461.507,11.45);(467.483,10.685);(469.19,14.503);(476.874,10.685);(479.07,10.685);(486.754,10.685);(495.78,12.977);(497.609,100.0);(516.637,10.685);(520.418,10.685);(520.54,10.685);(521.15,10.685);(522.736,11.45);(526.639,14.503);(538.227,12.211);(538.836,11.45);(541.032,13.737);(544.203,12.211);(550.79,12.977);(553.718,10.685);(556.279,13.737);(556.889,11.45);(562.5,12.211);(568.843,10.685);(569.087,10.685);(572.502,11.45);(573.966,12.211);(574.576,13.737);(576.772,12.211);(583.969,11.45);(585.554,12.211);(588.848,13.737)
LC-MS/MS	Quattro_QQQ	Positive	high	View Spectrum	(52.585,10.574);(92.439,13.461);(172.277,12.979);(333.09,100.0);(352.844,11.536);(372.356,48.074);(377.234,11.536);(409.185,95.19);(461.628,10.574);(536.519,12.5);(542.74,12.5)
LC-MS/MS	FAB-EBEB (JMS-HX/HX 110A, JEOL)	Positive	Not Available	View Spectrum	(0.0114,0.003003003);(0.1145,0.006006006);(3.6652,0.001001001);(4.0879,0.001001001);(6.2086,0.001001001);(14.631,0.001001001);(15.0247,0.003003003);(15.7278,0.001001001);(24.9815,0.001001001);(25.9949,0.004004004);(27.0148,0.038038038);(28.0226,0.006006006);(29.0326,0.042042042);(29.5899,0.004004004);(35.8046,0.001001001);(36.9737,0.004004004);(38.0151,0.014014014);(39.0161,0.1251251251);(40.0324,0.013013013);(40.4716,0.001001001);(41.0337,0.2752752753);(42.0313,0.004004004);(43.0477,0.1221221221);(43.9968,0.001001001);(44.5197,0.003003003);(45.8136,0.001001001);(47.8138,0.001001001);(48.088,0.001001001);(48.9763,0.004004004);(50.0135,0.033033033);(51.0262,0.0640640641);(51.4333,0.001001001);(52.0423,0.028028028);(53.0374,0.1471471471);(54.0399,0.006006006);(55.052,0.4294294294);(56.0592,0.01001001);(57.0734,0.048048048);(57.7103,0.001001001);(58.0288,0.001001001);(60.9932,0.004004004);(61.436,0.001001001);(62.0196,0.013013013);(63.0225,0.0550550551);(63.2864,0.003003003);(63.7194,0.001001001);(64.0773,0.01001001);(65.0452,0.1051051051);(65.3979,0.003003003);(66.0483,0.017017017);(66.6862,0.001001001);(67.0564,0.1871871872);(68.0671,0.007007007);(68.7239,0.001001001);(69.0671,0.6896896897);(70.0575,0.01001001);(71.1147,0.008008008);(72.0255,0.001001001);(72.2873,0.001001001);(73.0064,0.003003003);(74.0219,0.013013013);(75.0151,0.023023023);(75.2005,0.007007007);(75.4515,0.003003003);(76.0112,0.017017017);(77.0433,0.3523523524);(77.4397,0.003003003);(78.0345,0.0650650651);(78.536,0.007007007);(79.0542,0.3303303303);(80.0449,0.033033033);(81.0715,0.4224224224);(82.1047,0.01001001);(83.096,0.1061061061);(83.6441,0.001001001);(84.0949,0.003003003);(85.1199,0.006006006);(86.0189,0.01001001);(87.0325,0.008008008);(87.9884,0.008008008);(88.2505,0.003003003);(89.1035,0.035035035);(90.0954,0.018018018);(91.068,0.8058058058);(92.063,0.0750750751);(92.4264,0.003003003);(93.0863,0.4944944945);(94.0872,0.021021021);(94.3463,0.001001001);(95.094,0.3853853854);(96.0633,0.003003003);(96.5391,0.004004004);(97.1112,0.016016016);(98.0549,0.013013013);(98.489,0.006006006);(99.0197,0.003003003);(100.0285,0.001001001);(100.364,0.001001001);(100.7048,0.003003003);(101.078,0.014014014);(101.5029,0.003003003);(102.0662,0.034034034);(102.4532,0.003003003);(103.0717,0.1331331331);(104.057,0.0690690691);(105.0893,1.0);(106.0865,0.0980980981);(106.4611,0.003003003);(107.0929,0.4474474474);(107.7384,0.001001001);(108.0828,0.03003003);(108.5732,0.001001001);(109.1095,0.1671671672);(109.4273,0.004004004);(110.0061,0.006006006);(110.344,0.003003003);(111.0633,0.011011011);(111.5259,0.001001001);(112.7611,0.003003003);(113.0637,0.008008008);(113.3521,0.006006006);(113.6274,0.006006006);(114.122,0.018018018);(115.0583,0.3863863864);(115.4855,0.007007007);(116.0722,0.1371371371);(117.0692,0.3963963964);(118.0596,0.0720720721);(119.0738,0.9019019019);(119.5035,0.011011011);(120.0895,0.0910910911);(120.476,0.006006006);(121.0933,0.3073073073);(121.597,0.001001001);(122.0559,0.018018018);(122.3943,0.003003003);(123.0981,0.1571571572);(124.034,0.008008008);(125.0402,0.007007007);(125.5985,0.001001001);(126.0331,0.018018018);(126.4732,0.001001001);(127.0338,0.1221221221);(128.0477,0.4394394394);(129.0481,0.4974974975);(130.0484,0.1901901902);(130.3727,0.008008008);(131.0713,0.5555555556);(132.0658,0.1021021021);(132.3895,0.011011011);(133.0817,0.4924924925);(133.5742,0.001001001);(134.0912,0.034034034);(134.626,0.003003003);(135.0869,0.0710710711);(136.0662,0.008008008);(136.3172,0.004004004);(137.1194,0.0690690691);(138.0251,0.007007007);(138.5188,0.008008008);(139.0358,0.0570570571);(139.5165,0.003003003);(140.0868,0.018018018);(140.5124,0.007007007);(141.0562,0.3383383383);(141.6017,0.008008008);(142.0686,0.3233233233);(142.4625,0.006006006);(143.078,0.6646646647);(144.0774,0.2082082082);(145.0942,0.6306306306);(146.0955,0.0720720721);(146.574,0.006006006);(147.1223,0.2042042042);(147.6736,0.003003003);(148.1146,0.021021021);(149.0995,0.027027027);(149.5014,0.003003003);(150.043,0.028028028);(150.5177,0.004004004);(151.0693,0.047047047);(152.0801,0.1581581582);(153.0712,0.2222222222);(154.0618,0.1261261261);(154.4928,0.004004004);(155.0998,0.4444444444);(156.1058,0.2502502503);(157.1139,0.5195195195);(158.1422,0.0810810811);(158.6174,0.006006006);(159.1313,0.3383383383);(160.1088,0.045045045);(161.1394,0.1541541542);(162.0355,0.011011011);(163.1257,0.03003003);(164.0674,0.025025025);(164.3884,0.006006006);(165.1099,0.3413413413);(166.0996,0.0850850851);(167.1122,0.2362362362);(168.1171,0.1261261261);(169.1186,0.4334334334);(170.118,0.1131131131);(170.6803,0.006006006);(171.1416,0.2932932933);(171.5297,0.008008008);(172.1466,0.0500500501);(173.1328,0.1741741742);(173.606,0.003003003);(174.1807,0.02002002);(174.4209,0.004004004);(174.6417,0.003003003);(175.1585,0.1401401401);(176.1077,0.031031031);(176.3829,0.004004004);(176.6374,0.004004004);(177.1618,0.0990990991);(178.0816,0.1871871872);(178.4755,0.008008008);(179.1035,0.2912912913);(179.6426,0.006006006);(180.0969,0.1301301301);(181.1075,0.3353353353);(181.5218,0.008008008);(182.1105,0.1201201201);(183.1237,0.3653653654);(183.5664,0.006006006);(184.1321,0.0790790791);(185.1298,0.2072072072);(186.0875,0.031031031);(187.1479,0.0960960961);(187.5621,0.008008008);(188.1123,0.018018018);(189.1193,0.0930930931);(190.0763,0.03003003);(190.5908,0.007007007);(191.0844,0.1021021021);(191.5654,0.007007007);(192.114,0.1131131131);(192.549,0.006006006);(193.1189,0.2662662663);(193.6791,0.007007007);(194.1131,0.1461461461);(195.1205,0.3383383383);(196.1256,0.0640640641);(197.1312,0.2862862863);(198.1035,0.037037037);(198.5272,0.004004004);(199.1467,0.0880880881);(200.1623,0.028028028);(200.437,0.007007007);(201.1558,0.1051051051);(202.0849,0.0880880881);(203.1217,0.1371371371);(204.0729,0.037037037);(204.2959,0.014014014);(205.1092,0.1401401401);(205.5569,0.008008008);(206.1093,0.0760760761);(206.4724,0.004004004);(207.1239,0.1841841842);(208.1348,0.0820820821);(209.1518,0.2042042042);(209.5862,0.007007007);(210.1453,0.045045045);(210.4906,0.003003003);(211.1504,0.1061061061);(211.7424,0.006006006);(212.166,0.027027027);(213.1508,0.048048048);(214.1572,0.016016016);(215.1287,0.0640640641);(216.1289,0.038038038);(216.7009,0.003003003);(217.1423,0.0740740741);(218.1547,0.0550550551);(218.507,0.004004004);(219.1661,0.0820820821);(219.6862,0.003003003);(220.1879,0.048048048);(221.1703,0.1171171171);(222.1943,0.033033033);(222.7505,0.008008008);(223.1931,0.0810810811);(223.6713,0.006006006);(224.2222,0.033033033);(225.2338,0.0810810811);(226.1662,0.031031031);(227.1557,0.04004004);(227.6463,0.003003003);(228.157,0.031031031);(228.6464,0.007007007);(229.1701,0.0620620621);(230.1337,0.031031031);(230.6305,0.004004004);(231.1531,0.0690690691);(232.1587,0.035035035);(232.7044,0.004004004);(233.1989,0.0960960961);(234.1896,0.025025025);(234.5802,0.007007007);(235.1991,0.0670670671);(236.1776,0.03003003);(237.2121,0.0520520521);(238.2184,0.023023023);(238.6581,0.006006006);(239.2264,0.0690690691);(240.1334,0.027027027);(241.225,0.0510510511);(242.224,0.03003003);(243.1733,0.0680680681);(243.6395,0.006006006);(244.1945,0.023023023);(244.7352,0.006006006);(245.1845,0.037037037);(245.7583,0.003003003);(246.1991,0.024024024);(246.461,0.006006006);(247.1797,0.0750750751);(248.1992,0.042042042);(248.7406,0.004004004);(249.2277,0.0510510511);(250.1514,0.013013013);(251.2271,0.0710710711);(252.2057,0.018018018);(252.7789,0.003003003);(253.2175,0.0580580581);(253.7279,0.004004004);(254.2483,0.021021021);(255.2092,0.042042042);(256.1918,0.017017017);(257.1603,0.045045045);(258.2483,0.013013013);(259.1758,0.047047047);(260.2126,0.023023023);(261.2253,0.0570570571);(262.2226,0.017017017);(262.8248,0.004004004);(263.2589,0.0690690691);(263.6183,0.003003003);(264.2796,0.011011011);(264.5212,0.006006006);(265.2172,0.0640640641);(265.7796,0.001001001);(266.3076,0.024024024);(266.6299,0.007007007);(267.2678,0.0500500501);(268.2806,0.0500500501);(269.2348,0.041041041);(270.2021,0.011011011);(270.747,0.004004004);(271.2214,0.03003003);(271.8642,0.004004004);(272.2166,0.008008008);(272.838,0.006006006);(273.2911,0.031031031);(274.2062,0.007007007);(275.2553,0.027027027);(276.2126,0.011011011);(276.8259,0.003003003);(277.2536,0.013013013);(277.4537,0.007007007);(278.2876,0.016016016);(278.8206,0.004004004);(279.2485,0.028028028);(280.2686,0.014014014);(280.8379,0.007007007);(281.2875,0.0540540541);(281.5989,0.008008008);(282.2058,0.006006006);(282.5992,0.001001001);(283.1822,0.018018018);(283.7654,0.003003003);(284.2909,0.006006006);(285.1968,0.013013013);(285.9012,0.006006006);(286.3665,0.011011011);(287.2138,0.021021021);(287.6965,0.001001001);(288.2528,0.006006006);(289.2749,0.021021021);(290.1904,0.01001001);(290.4702,0.003003003);(290.7831,0.007007007);(291.2316,0.025025025);(291.5388,0.003003003);(291.7278,0.001001001);(292.1692,0.013013013);(293.2397,0.023023023);(294.3248,0.017017017);(295.2789,0.01001001);(296.2476,0.007007007);(297.2756,0.014014014);(297.8807,0.003003003);(298.2101,0.004004004);(299.1317,0.016016016);(299.3772,0.004004004);(299.6691,0.003003003);(300.2759,0.003003003);(301.1878,0.028028028);(302.3846,0.006006006);(303.2477,0.028028028);(304.2772,0.013013013);(305.304,0.031031031);(305.7162,0.001001001);(306.1994,0.006006006);(306.5408,0.001001001);(307.3177,0.01001001);(308.3105,0.007007007);(308.7779,0.004004004);(309.1557,0.007007007);(309.4698,0.001001001);(310.2892,0.006006006);(310.7047,0.004004004);(311.2187,0.013013013);(312.4424,0.001001001);(313.2376,0.008008008);(313.7127,0.001001001);(314.2835,0.013013013);(314.7312,0.003003003);(315.2688,0.023023023);(315.8484,0.001001001);(316.2267,0.004004004);(317.2616,0.014014014);(318.2735,0.004004004);(318.8709,0.001001001);(319.303,0.02002002);(320.2746,0.013013013);(321.3103,0.01001001);(321.7991,0.001001001);(322.3301,0.013013013);(323.3139,0.004004004);(324.2891,0.004004004);(325.3108,0.007007007);(325.5295,0.004004004);(326.1799,0.004004004);(326.4697,0.006006006);(327.2608,0.008008008);(328.2766,0.014014014);(328.7824,0.001001001);(329.2854,0.011011011);(330.3567,0.011011011);(331.3527,0.023023023);(332.1372,0.003003003);(332.5795,0.001001001);(333.293,0.03003003);(334.2751,0.007007007);(335.2238,0.013013013);(336.3164,0.003003003);(336.7619,0.004004004);(337.338,0.007007007);(337.9317,0.006006006);(338.4339,0.003003003);(338.6705,0.001001001);(339.106,0.007007007);(339.4675,0.003003003);(340.4315,0.006006006);(341.2796,0.013013013);(341.8024,0.003003003);(343.2519,0.014014014);(343.6325,0.003003003);(343.8722,0.001001001);(344.1685,0.006006006);(344.5841,0.001001001);(345.344,0.024024024);(346.4033,0.023023023);(347.3218,0.024024024);(348.3452,0.003003003);(349.0139,0.001001001);(349.2625,0.003003003);(350.2541,0.004004004);(351.3356,0.007007007);(351.9082,0.006006006);(353.2819,0.004004004);(353.7965,0.004004004);(354.3388,0.004004004);(355.4031,0.008008008);(357.2501,0.016016016);(358.5811,0.006006006);(359.4118,0.033033033);(360.228,0.008008008);(360.8537,0.004004004);(361.2117,0.001001001);(361.9248,0.004004004);(362.2188,0.004004004);(362.9393,0.004004004);(363.325,0.003003003);(364.3455,0.006006006);(365.2326,0.011011011);(365.5307,0.003003003);(366.3042,0.016016016);(367.3178,0.013013013);(368.061,0.003003003);(368.4028,0.003003003);(369.3483,0.01001001);(370.3564,0.01001001);(371.2949,0.014014014);(372.3367,0.01001001);(373.14,0.006006006);(373.5563,0.008008008);(374.2884,0.001001001);(375.3321,0.007007007);(377.382,0.004004004);(377.5494,0.001001001);(378.0751,0.003003003);(378.4232,0.013013013);(379.0406,0.007007007);(379.4033,0.011011011);(380.2393,0.004004004);(380.5102,0.006006006);(381.3842,0.02002002);(382.3297,0.017017017);(382.8426,0.003003003);(383.3991,0.028028028);(384.3667,0.01001001);(385.3592,0.014014014);(386.3357,0.013013013);(387.407,0.01001001);(387.9493,0.006006006);(389.4685,0.003003003);(390.2442,0.003003003);(390.7123,0.001001001);(391.3963,0.007007007);(391.7638,0.004004004);(392.5601,0.004004004);(392.8912,0.003003003);(393.3215,0.003003003);(393.9298,0.001001001);(394.541,0.006006006);(395.2953,0.008008008);(395.846,0.001001001);(396.37,0.006006006);(396.7979,0.001001001);(397.2332,0.001001001);(397.5869,0.001001001);(398.6235,0.003003003);(399.3792,0.03003003);(399.899,0.003003003);(400.3839,0.01001001);(400.9227,0.003003003);(401.1469,0.003003003);(401.5445,0.007007007);(403.2777,0.001001001);(404.4984,0.004004004);(405.3609,0.01001001);(405.7455,0.006006006);(406.474,0.004004004);(407.4139,0.008008008);(408.3218,0.001001001);(409.3274,0.007007007);(410.3462,0.004004004);(410.6873,0.001001001);(411.3549,0.008008008);(411.7194,0.001001001);(412.411,0.025025025);(413.4129,0.02002002);(413.9823,0.001001001);(414.444,0.011011011);(415.0572,0.007007007);(415.3966,0.008008008);(416.2298,0.004004004);(417.1752,0.001001001);(418.1484,0.001001001);(420.2815,0.004004004);(420.7216,0.003003003);(421.0656,0.008008008);(421.3847,0.007007007);(422.1994,0.003003003);(422.5273,0.003003003);(422.9354,0.003003003);(423.3217,0.004004004);(423.9018,0.007007007);(424.5024,0.011011011);(425.3377,0.027027027);(425.972,0.011011011);(426.7782,0.011011011);(427.2711,0.024024024);(427.5335,0.01001001);(427.8777,0.008008008);(428.3487,0.016016016);(428.6039,0.006006006);(429.2149,0.003003003);(429.6553,0.01001001);(430.4648,0.016016016);(430.8163,0.006006006);(432.2005,0.006006006);(433.2611,0.003003003);(434.1787,0.004004004);(435.4802,0.008008008);(435.8508,0.003003003);(436.058,0.001001001);(436.3178,0.004004004);(436.8154,0.003003003);(437.8618,0.003003003);(439.4585,0.01001001);(440.5138,0.01001001);(441.0247,0.004004004);(441.5824,0.007007007);(441.8437,0.003003003);(442.5007,0.003003003);(442.9197,0.008008008);(443.5095,0.023023023);(443.9169,0.017017017);(444.4805,0.5125125125);(445.1464,0.004004004);(445.4399,0.004004004);(445.7929,0.004004004);(447.2497,0.006006006);(447.5968,0.004004004);(448.2021,0.004004004);(449.4855,0.003003003);(449.9246,0.001001001);(450.2484,0.003003003);(450.8596,0.004004004);(451.3906,0.008008008);(452.136,0.003003003);(452.7604,0.007007007);(453.4038,0.007007007);(454.0049,0.003003003);(454.3508,0.003003003);(454.8279,0.004004004);(455.6421,0.007007007);(456.4827,0.017017017);(457.4371,0.016016016);(458.1639,0.001001001);(459.5345,0.001001001);(460.1432,0.001001001);(462.1651,0.001001001);(462.8425,0.004004004);(463.4119,0.001001001);(464.1668,0.006006006);(464.4968,0.001001001);(465.2912,0.006006006);(465.5861,0.006006006);(466.1469,0.004004004);(466.769,0.003003003);(467.1999,0.004004004);(467.5299,0.001001001);(468.323,0.007007007);(468.5275,0.004004004);(469.0139,0.004004004);(469.5412,0.001001001);(470.2306,0.004004004);(470.8894,0.006006006);(471.2298,0.003003003);(472.5194,0.003003003);(472.7936,0.004004004);(473.5915,0.006006006);(475.5872,0.001001001);(476.3269,0.007007007);(476.9164,0.003003003);(477.4825,0.008008008);(478.4149,0.003003003);(478.5944,0.001001001);(479.3168,0.006006006);(480.547,0.013013013);(481.5978,0.003003003);(482.7378,0.001001001);(484.4456,0.004004004);(486.4456,0.003003003);(487.8415,0.004004004);(489.5367,0.008008008);(490.0989,0.006006006);(490.4538,0.001001001);(490.7108,0.004004004);(491.517,0.006006006);(492.4969,0.004004004);(492.8314,0.007007007);(493.5763,0.006006006);(494.4468,0.01001001);(498.442,0.001001001);(501.4558,0.006006006);(501.657,0.003003003);(502.0417,0.004004004);(502.3857,0.006006006);(503.3681,0.004004004);(503.6494,0.001001001);(504.508,0.004004004);(505.425,0.025025025);(505.874,0.006006006);(506.5038,0.016016016);(507.0417,0.004004004);(507.4879,0.007007007);(508.647,0.004004004);(509.4227,0.003003003);(511.2178,0.001001001);(511.8463,0.004004004);(512.1832,0.003003003);(512.6718,0.001001001);(513.0801,0.004004004);(513.3411,0.006006006);(513.8093,0.003003003);(514.4394,0.008008008);(515.4881,0.01001001);(516.0118,0.008008008);(516.3458,0.007007007);(516.725,0.006006006);(517.8016,0.011011011);(518.4683,0.028028028);(519.2299,0.017017017);(519.8018,0.014014014);(520.5429,0.0710710711);(521.5307,0.2012012012);(522.1421,0.008008008);(522.6251,0.014014014);(523.2263,0.003003003);(523.9573,0.01001001);(524.9614,0.011011011);(526.3055,0.017017017);(527.3563,0.016016016);(528.1926,0.013013013);(528.9546,0.02002002);(529.5968,0.02002002);(530.9646,0.035035035);(536.5316,1.0);(538.0532,0.3303303303);(538.7966,0.1531531532);(539.9824,0.0650650651);(540.4229,0.031031031);(541.2176,0.021021021);(541.7717,0.013013013);(542.5738,0.01001001);(543.7521,0.011011011)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(152.25,0.041856);(153.0,0.079734);(154.238968,0.133484);(155.375,0.150024);(156.25708,0.23886);(157.125,0.134085);(158.32428,0.185484);(159.260391,1.115507);(160.501678,0.342663);(161.232361,0.713478);(162.156174,0.08642);(163.256241,0.192235);(165.125,0.075603);(166.25,0.045767);(167.375702,0.400872);(168.293274,0.09445);(169.174255,0.813555);(170.14389,0.281446);(171.217957,0.571226);(172.131348,0.358126);(173.226715,0.458154);(174.130508,0.174814);(175.299408,0.97374);(176.237076,0.388596);(177.309479,2.083756);(178.253662,0.110449);(179.107117,0.547609);(180.105774,0.239632);(181.223541,0.366634);(182.210327,0.362002);(183.288162,1.184213);(184.320953,0.235717);(185.077072,1.021164);(186.362808,0.145737);(187.216827,0.428873);(188.254181,0.465994);(189.190125,1.025176);(190.291077,0.203226);(191.255219,0.494992);(193.070084,0.486411);(193.505386,0.14309);(194.21524,0.450166);(195.292999,0.762348);(196.251663,0.151025);(197.168823,0.97284);(198.130951,0.315991);(199.337128,1.169808);(200.255157,0.155476);(201.178162,1.365674);(202.101318,0.391437);(203.268982,1.357034);(204.504807,0.200685);(206.233612,0.296375);(207.009247,0.258901);(207.622223,0.322365);(208.246674,0.239208);(209.188171,2.812348);(210.095612,0.598601);(211.19136,1.531116);(211.692047,0.095968);(212.12674,0.046307);(213.187805,0.468829);(214.149124,0.125867);(215.223175,0.777822);(216.191269,0.214449);(217.380478,0.290974);(218.166748,0.152381);(219.285339,0.348127);(220.347778,0.191868);(221.182434,0.917216);(222.15834,0.768711);(223.208527,1.446052);(223.504425,0.16579);(224.375,0.049835);(225.202148,0.705599);(226.5,0.15345);(227.187103,0.505063);(228.186966,0.288741);(228.5,0.046198);(229.12944,0.435378);(230.185501,0.198925);(231.161087,0.134021);(232.075653,0.178697);(233.127975,0.409015);(234.285614,0.561747);(235.165466,1.33879);(236.375,0.01962);(237.171463,1.916162);(238.33963,0.061801);(239.1987,1.171274);(239.632797,0.3704);(240.255722,0.21825);(241.193695,2.535987);(242.108566,0.693589);(242.507523,0.202205);(243.272385,1.004391);(244.160294,0.299546);(245.183563,0.601225);(246.253387,0.215374);(247.273239,0.458266);(248.230591,0.500868);(249.236145,1.062006);(250.306564,0.345734);(251.175827,0.572599);(252.203491,0.137223);(253.164307,1.683907);(253.506378,0.302521);(254.237259,2.269703);(255.197662,5.057575);(256.178833,0.607345);(256.988068,0.254974);(257.25,0.098898);(258.129272,0.305003);(259.127075,0.536811);(260.32666,0.387679);(261.153656,1.189958);(262.196411,0.294684);(263.211639,0.817299);(264.346191,0.323908);(265.146851,0.840324);(266.331177,0.123428);(267.256104,3.326863);(268.291626,0.683512);(269.191223,1.261772);(270.286255,0.454822);(271.188782,0.399035);(272.125,0.0981);(273.208282,0.328634);(273.751648,0.090149);(275.181396,3.014429);(276.111847,1.06821);(277.195435,0.893005);(278.25,0.11283);(279.207489,2.254365);(279.503296,0.305789);(280.214661,0.497454);(280.5,0.126644);(281.320251,6.001572);(282.333069,1.581915);(283.301392,0.205563);(285.25,0.073247);(287.190521,0.27806);(288.125,0.125567);(289.215027,0.884313);(290.113037,0.188412);(291.279755,0.39639);(292.205444,0.402431);(293.246948,2.08221);(294.22934,1.003377);(295.179688,0.892601);(295.633667,0.11821);(297.130859,0.436296);(299.440247,0.575512);(301.053955,0.228124);(301.496887,0.055047);(302.137939,0.359085);(303.199402,0.406392);(304.228668,0.676393);(305.251984,1.656509);(306.294373,0.394603);(307.196899,2.4864);(307.507935,0.360569);(308.267242,1.418213);(308.814026,0.489931);(309.2771,0.62338);(310.001221,0.103014);(310.875,0.053157);(312.255554,0.442714);(313.055939,0.27785);(315.221924,0.574039);(316.082886,1.574662);(317.295837,1.046437);(318.378235,0.195148);(319.238098,1.156076);(320.281433,1.444816);(321.182831,1.486368);(322.221191,0.307022);(323.269104,2.989971);(324.31778,0.523242);(325.507629,0.623127);(326.311859,0.916575);(327.236755,0.395209);(328.25,0.106209);(329.235291,1.499967);(330.243866,0.174547);(331.223633,2.040515);(331.581543,0.049685);(332.20166,0.498209);(333.23114,1.258392);(334.322876,0.758686);(335.481384,0.494131);(336.228851,0.815996);(337.192871,1.006542);(338.267822,2.817885);(339.184692,0.71379);(340.284363,0.103206);(341.183472,0.746915);(342.25,0.08446);(343.227051,1.391686);(344.335022,0.670098);(345.249573,2.870424);(346.161621,2.663049);(346.528503,0.536729);(347.242554,1.975339);(348.332581,1.174535);(349.233337,0.256841);(350.375,0.139955);(351.322083,0.907135);(351.561462,0.272929);(352.230652,1.485996);(352.629791,0.071517);(353.177368,0.501773);(354.125,0.060005);(355.083191,0.450253);(356.127502,0.245658);(357.237427,1.490457);(358.290833,0.365817);(359.309998,2.826568);(360.340668,0.677469);(360.511841,0.187121);(361.230194,1.114022);(362.294647,0.20071);(363.336517,0.421749);(364.321808,0.566773);(364.63623,0.26377);(365.313751,0.557485);(366.261719,0.145457);(367.128754,0.301415);(369.290527,0.855171);(370.154053,0.238157);(371.277771,0.619635);(372.131195,0.210505);(373.413696,0.43116);(374.380585,0.143716);(375.25531,0.573568);(377.629517,0.173723);(378.355469,2.342119);(379.314117,1.314306);(380.381042,0.334398);(381.504883,0.192365);(382.054077,0.360472);(383.171814,1.176975);(384.260681,0.671521);(385.24881,1.49441);(385.553009,0.044054);(385.766113,0.18414);(386.295715,0.187536);(387.485107,0.324994);(388.375,0.052928);(389.171814,0.251973);(390.338013,0.344996);(391.14386,0.105959);(393.224945,0.484654);(395.005493,0.234721);(397.36853,0.997945);(398.214294,0.757025);(399.321381,5.603905);(400.278625,1.914017);(401.271912,0.798431);(402.305237,0.321666);(411.378754,0.468193);(412.143585,0.240792);(412.471191,0.142944);(413.252289,1.460509);(414.380798,0.274455);(415.377777,0.699615);(416.385986,0.441096);(417.516083,0.418783);(418.371399,0.118177);(422.75,0.058859);(425.320862,1.239165);(426.380035,0.143954);(428.380341,0.34399);(429.333374,4.562412);(430.369537,2.096626);(431.377289,0.878988);(434.375,0.107255);(437.2146,0.334099);(439.176208,0.741821);(440.044495,0.281962);(440.756104,0.26624);(441.31311,0.83464);(442.394165,0.065457);(443.396271,1.084715);(444.388519,100.0);(445.342072,30.187653);(445.60318,2.878052);(446.326508,3.99052);(447.308319,0.380696);(450.25,0.108331);(451.461517,0.508285);(452.311676,0.351298);(453.258057,0.214114);(454.130493,0.132167);(455.516571,0.257935);(456.366638,2.787582);(456.761627,0.66641);(457.440216,2.826112);(458.368683,0.692141);(464.630463,0.647);(465.35733,1.11435);(466.336731,0.599983);(467.482056,0.802568);(468.403259,0.751092);(473.380035,0.254525);(477.333893,0.321704);(479.220459,0.407978);(480.365723,0.766414);(493.498993,0.163626);(494.375,0.097801);(495.381134,0.208797);(503.5,0.051881);(504.255859,0.148215);(505.125,0.089384);(506.256287,0.253235);(507.403564,0.28763);(508.353851,0.146483);(509.25,0.053172);(512.255066,0.510035);(518.25592,0.187251);(519.365479,0.106006);(520.384094,0.252172);(521.480469,2.784321);(522.413818,2.557877);(523.504822,0.210283);(587.646545,0.0322)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(57.06987671,1.001582971);(71.08552677,0.9488557015);(123.1168269,0.8950944763);(133.1011768,2.400786136);(135.1168269,4.199110822);(137.132477,2.124894372);(139.148127,1.163539199);(175.148127,1.608064841);(177.1637771,1.197998675);(189.1637771,1.020587553);(201.1637771,1.53751026);(203.1794272,1.214172645);(241.1950772,1.608064841);(243.2107273,1.197998675);(255.2107273,1.020587553);(281.2263773,1.025095515);(293.2263773,1.10553214);(295.2420274,0.9523426275);(331.2420274,1.007319552);(333.2576775,2.087202795);(335.2733275,0.9928120516);(347.2733275,1.025095515);(359.2733275,1.10553214);(361.2889776,0.9523426275);(397.2889776,2.292659074);(399.3046277,4.199110822);(401.3202777,2.124894372);(403.3359278,1.163539199);(413.3202777,0.9768953892);(495.3985281,1.348528373);(537.4454782,24.7816458)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(67.05422664,0.9447612915);(133.1011768,5.606082303);(135.1168269,4.632500824);(137.132477,1.820558017);(173.132477,1.861610432);(175.148127,1.164548708);(185.132477,0.9404303089);(189.1637771,1.775458389);(199.148127,2.079372274);(201.1637771,1.8305584);(239.1794272,1.861610432);(241.1950772,1.164548708);(251.1794272,0.9404303089);(255.2107273,1.775458389);(261.1637771,1.087241668);(265.1950772,1.0443228);(281.2263773,1.684513094);(291.2107273,0.9349672631);(293.2263773,1.27151278);(331.2420274,2.674291638);(333.2576775,2.010336331);(335.2733275,1.460586748);(347.2733275,1.684513094);(359.2733275,1.27151278);(397.2889776,3.626279063);(399.3046277,4.632500824);(401.3202777,1.820558017);(413.3202777,1.195030319);(493.382878,1.300709816);(495.3985281,1.049808919);(537.4454782,1.884382255)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(55.05422664,1.447192322);(67.05422664,1.27769385);(69.06987671,1.225431417);(81.06987671,1.209957641);(123.1168269,1.227215937);(133.1011768,1.615282787);(135.1168269,3.330541681);(137.132477,2.141291727);(173.132477,1.266533116);(175.148127,2.073609975);(189.1637771,1.832146184);(199.148127,1.177650389);(201.1637771,1.613808571);(203.1794272,1.193428143);(239.1794272,1.266533116);(241.1950772,2.073609975);(255.2107273,1.832146184);(261.1637771,1.288298063);(281.2263773,2.025020366);(319.2420274,1.668655709);(321.2576775,1.677619523);(331.2420274,1.184231046);(333.2576775,1.67599825);(347.2733275,2.025020366);(385.2889776,1.668655709);(387.3046277,1.677619523);(399.3046277,3.330541681);(401.3202777,2.141291727);(479.3672279,1.312972266);(493.382878,1.635052801);(495.3985281,1.48461541)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(137.1335741,0.3269118495);(175.1492242,0.283075835);(401.3213749,0.3283263358);(507.3996252,0.4361775131);(519.3996252,0.6945639387);(535.4309253,91.1774332)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(135.1179241,0.8529098988);(137.1335741,0.9713962895);(203.1805243,0.8937903055);(333.2587746,0.7939706851);(335.2744247,0.9239265157);(399.3057248,0.8543075349);(401.3213749,0.9767583084);(493.3839751,0.8972070795);(495.3996252,1.006628493);(519.3996252,1.359837469);(535.4309253,70.57667926)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(107.0866239,1.403080716);(121.102274,1.591018325);(123.1179241,1.385882256);(133.102274,1.453373786);(135.1179241,3.510228183);(173.1335741,1.43724407);(175.1492242,1.480222068);(177.1648743,1.36191991);(185.1335741,1.220985357);(187.1492242,1.288025568);(189.1648743,1.638948027);(201.1648743,1.787585672);(241.1961744,1.480222068);(243.2118244,1.36191991);(251.1805243,1.220985357);(253.1961744,1.288025568);(255.2118244,2.359789223);(267.2118244,1.567755569);(293.2274745,1.517928267);(321.2587746,1.476851272);(331.2431246,1.398769753);(333.2587746,3.334774373);(335.2744247,1.567699233);(359.2744247,1.517928267);(387.3057248,1.476851272);(397.2900748,1.453373786);(399.3057248,4.465891787);(401.3213749,2.026493557);(507.3996252,1.425291413);(519.3996252,12.27108727);(535.4309253,1.945048511)

Food Sources

Name	Group
Apricot	Fruit, Drupes	Publications	Show
Asparagus	Vegetables, Other vegetables	Publications	Show
Avocado	Vegetables, Fruit vegetables	Publications	Show
Banana	Fruit, Tropical fruits	Publications	Show
Bell pepper (Capsicum annuum, mild varieties)	Vegetables, Fruit vegetables	Publications	Show
Broccoli	Vegetables, Cabbages	Publications	Show
Brussel sprouts	Vegetables, Cabbages	Publications	Show
Carrot	Vegetables, Root vegetables	Publications	Show
Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Common cabbage	Vegetables, Cabbages	Publications	Show
Common pea	Pulses and beans	Publications	Show
Common sage	Herbs and Spices	Publications	Show
Endive	Vegetables, Leaf vegetables	Publications	Show
European plum	Fruit, Drupes	Publications	Show
Garden cress	Vegetables, Leaf vegetables	Publications	Show
Green bean	Vegetables, Other vegetables	Publications	Show
Guava	Fruit, Tropical fruits	Publications	Show
Hot chili (Capsicum annuum, C. frutescens)	Vegetables, Fruit vegetables	Publications	Show
Kale	Vegetables, Cabbages	Publications	Show
Ketchup	Condiments and seasonings	Publications	Show
Leek	Vegetables, Onion-family	Publications	Show
Lettuce	Vegetables, Leaf vegetables	Publications	Show
Mango	Fruit, Tropical fruits	Publications	Show
Nectarine	Fruit, Drupes	Publications	Show
Papaya	Fruit, Tropical fruits	Publications	Show
Parsley	Herbs and Spices	Publications	Show
Peach	Fruit, Drupes	Publications	Show
Pineapple	Fruit, Tropical fruits	Publications	Show
Pistachio	Nuts	Publications	Show
Pumpkin	Vegetables, Gourds	Publications	Show
Spinach	Vegetables, Leaf vegetables	Publications	Show
Sweet basil	Herbs and Spices	Publications	Show
Sweet orange	Fruit, Citrus	Publications	Show
Sweet potato	Vegetables, Tubers	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show
Watermelon	Vegetables, Gourds	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Carotene-beta		Retinal	human	serum	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₈O	284.214015522

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for Carotene-beta