PhytoHub: Showing entry for beta-Ionone

beta-Ionone

Identification

PhytoHub ID

PHUB001457

Name

beta-Ionone

Systematic Name

Not Available

Synonyms

β-ionone

CAS Number

79-77-6

Average Mass

192.302

Monoisotopic Mass

192.151415264

Chemical Formula

C₁₃H₂₀O

IUPAC Name

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

InChI Key

PSQYTAPXSHCGMF-BQYQJAHWSA-N

InChI Identifier

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

SMILES

CC(=O)\C=C\C1=C(C)CCCC1(C)C

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.04e-01 g/l
LogS (ALOGPS): -3.27
LogP (ALOGPS): 4.11
Hydrogen Acceptors: 1
Hydrogen Donors: 0
Rotatable Bond Count: 2
Polar Surface Area: 17.07
Refractivity: 61.82209999999999
Polarizability: 23.352100659865748
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.6863708112434415
pKa (strongest acidic): 19.705359453281254
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 32325
PeakForestCompound: 000887

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Sesquiterpenoids
Direct Parent Name: Sesquiterpenoids
Alternative Parent Names: ["Acryloyl compounds", "Enones", "Hydrocarbon derivatives", "Ketones", "Organic oxides"]
External Descriptor Annotations: ["ionone"]
Substituent Names: ["Acryloyl-group", "Aliphatic homomonocyclic compound", "Alpha,beta-unsaturated ketone", "Carbonyl group", "Cyclofarsesane sesquiterpenoid", "Enone", "Hydrocarbon derivative", "Ionone derivative", "Ketone", "Megastigmane sesquiterpenoid", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Sesquiterpenoid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(15.0,2.58);(27.0,7.04);(28.0,9.2);(29.0,5.31);(39.0,10.24);(40.0,1.74);(41.0,18.59);(42.0,1.03);(43.0,62.87);(44.0,1.6);(51.0,3.71);(52.0,1.78);(53.0,6.67);(55.0,7.42);(63.0,1.78);(64.0,1.22);(65.0,4.98);(66.0,1.41);(67.0,3.85);(69.0,5.21);(71.0,2.77);(77.0,9.2);(78.0,2.58);(79.0,8.31);(80.0,1.36);(81.0,5.16);(91.0,11.69);(92.0,2.3);(93.0,10.71);(94.0,1.88);(95.0,7.0);(96.0,1.55);(97.0,1.36);(103.0,1.6);(105.0,6.81);(106.0,1.5);(107.0,7.42);(108.0,1.69);(109.0,6.1);(110.0,2.07);(115.0,1.93);(116.0,1.13);(117.0,2.44);(119.0,5.82);(120.0,1.08);(121.0,7.32);(122.0,7.14);(123.0,5.07);(131.0,2.16);(133.0,7.61);(134.0,1.74);(135.0,13.01);(136.0,5.16);(147.0,1.31);(149.0,8.26);(150.0,1.41);(159.0,4.55);(161.0,1.17);(162.0,2.07);(163.0,1.46);(177.0,99.99);(178.0,14.27);(179.0,1.41);(192.0,12.91);(193.0,2.16)
GC-MS	EI-B	positive	Not Available	View Spectrum	(52.0,2.37);(53.0,1.05);(54.0,3.63);(55.0,1.74);(65.0,3.93);(67.0,3.49);(69.0,5.56);(71.0,2.96);(77.0,6.47);(78.0,1.57);(79.0,6.6);(80.0,0.97);(81.0,5.18);(91.0,9.85);(92.0,1.65);(93.0,11.17);(94.0,1.88);(95.0,7.88);(96.0,1.35);(105.0,6.43);(106.0,1.15);(107.0,8.18);(108.0,1.47);(109.0,6.35);(110.0,1.96);(117.0,1.63);(119.0,6.23);(121.0,8.32);(122.0,6.9);(123.0,4.31);(131.0,1.64);(133.0,6.04);(134.0,1.6);(135.0,14.09);(136.0,4.41);(147.0,1.14);(149.0,7.11);(150.0,1.11);(159.0,4.44);(161.0,1.51);(162.0,3.28);(177.0,99.99);(178.0,14.22);(179.0,0.98);(192.0,10.1);(193.0,1.59)
GC-MS	EI-B	positive	Not Available	View Spectrum	(15.0,3.02);(27.0,6.89);(29.0,6.25);(39.0,11.21);(41.0,20.6);(42.0,1.71);(43.0,73.42);(44.0,1.81);(51.0,3.89);(52.0,1.98);(53.0,7.02);(55.0,7.2);(63.0,1.81);(64.0,1.0);(65.0,5.46);(66.0,1.58);(67.0,3.67);(69.0,4.59);(71.0,2.19);(77.0,10.98);(78.0,2.94);(79.0,8.25);(80.0,1.58);(81.0,4.36);(91.0,16.03);(92.0,2.5);(93.0,10.97);(94.0,1.52);(95.0,7.17);(96.0,1.33);(103.0,1.82);(105.0,7.21);(106.0,1.48);(107.0,6.83);(108.0,1.69);(109.0,4.87);(110.0,1.58);(115.0,2.29);(117.0,2.21);(119.0,5.77);(121.0,7.18);(122.0,5.78);(123.0,3.12);(131.0,1.77);(133.0,6.6);(134.0,1.37);(135.0,14.53);(136.0,3.83);(147.0,1.07);(149.0,6.4);(159.0,4.13);(161.0,1.01);(162.0,1.55);(177.0,99.99);(178.0,11.84);(179.0,1.02);(192.0,5.51)
GC-MS	EI-B	positive	Not Available	View Spectrum	(32.0,2.79);(43.0,55.87);(55.0,5.08);(59.0,24.27);(69.0,8.47);(71.0,12.85);(79.0,2.96);(81.0,6.61);(93.0,11.13);(95.0,11.61);(107.0,7.52);(109.0,8.62);(121.0,9.21);(122.0,8.29);(133.0,6.38);(135.0,15.43);(149.0,8.77);(159.0,5.55);(177.0,99.99);(178.0,12.62);(192.0,7.05)
GC-MS	EI-B	positive	Not Available	View Spectrum	(41.0,5.23);(43.0,64.43);(55.0,6.91);(67.0,3.43);(69.0,8.67);(71.0,5.23);(77.0,1.47);(79.0,3.18);(81.0,5.25);(91.0,5.72);(93.0,14.11);(94.0,3.12);(95.0,9.82);(96.0,18.71);(97.0,1.47);(105.0,7.21);(107.0,9.82);(108.0,0.83);(109.0,10.11);(110.0,3.43);(119.0,8.06);(121.0,8.06);(122.0,10.11);(123.0,27.44);(124.0,1.47);(131.0,1.12);(133.0,10.11);(135.0,20.86);(136.0,8.06);(147.0,1.47);(149.0,10.98);(159.0,6.36);(162.0,3.75);(177.0,99.99);(178.0,21.1);(192.0,12.14)
GC-MS	EI-B	positive	Not Available	View Spectrum	(15.0,2.58);(27.0,7.04);(28.0,9.2);(29.0,5.31);(39.0,10.24);(40.0,1.74);(41.0,18.59);(42.0,1.03);(43.0,62.87);(44.0,1.6);(51.0,3.71);(52.0,1.78);(53.0,6.67);(55.0,7.42);(63.0,1.78);(64.0,1.22);(65.0,4.98);(66.0,1.41);(67.0,3.85);(69.0,5.21);(71.0,2.77);(77.0,9.2);(78.0,2.58);(79.0,8.31);(80.0,1.36);(81.0,5.16);(91.0,11.69);(92.0,2.3);(93.0,10.71);(94.0,1.88);(95.0,7.0);(96.0,1.55);(97.0,1.36);(103.0,1.6);(105.0,6.81);(106.0,1.5);(107.0,7.42);(108.0,1.69);(109.0,6.1);(110.0,2.07);(115.0,1.93);(116.0,1.13);(117.0,2.44);(119.0,5.82);(120.0,1.08);(121.0,7.32);(122.0,7.14);(123.0,5.07);(131.0,2.16);(133.0,7.61);(134.0,1.74);(135.0,13.01);(136.0,5.16);(147.0,1.31);(149.0,8.26);(150.0,1.41);(159.0,4.55);(161.0,1.17);(162.0,2.07);(163.0,1.46);(177.0,99.99);(178.0,14.27);(179.0,1.41);(192.0,12.91);(193.0,2.16)
GC-MS	EI-B	positive	Not Available	View Spectrum	(52.0,2.37);(53.0,1.05);(54.0,3.63);(55.0,1.74);(65.0,3.93);(67.0,3.49);(69.0,5.56);(71.0,2.96);(77.0,6.47);(78.0,1.57);(79.0,6.6);(80.0,0.97);(81.0,5.18);(91.0,9.85);(92.0,1.65);(93.0,11.17);(94.0,1.88);(95.0,7.88);(96.0,1.35);(105.0,6.43);(106.0,1.15);(107.0,8.18);(108.0,1.47);(109.0,6.35);(110.0,1.96);(117.0,1.63);(119.0,6.23);(121.0,8.32);(122.0,6.9);(123.0,4.31);(131.0,1.64);(133.0,6.04);(134.0,1.6);(135.0,14.09);(136.0,4.41);(147.0,1.14);(149.0,7.11);(150.0,1.11);(159.0,4.44);(161.0,1.51);(162.0,3.28);(177.0,99.99);(178.0,14.22);(179.0,0.98);(192.0,10.1);(193.0,1.59)
GC-MS	EI-B	positive	Not Available	View Spectrum	(15.0,3.02);(27.0,6.89);(29.0,6.25);(39.0,11.21);(41.0,20.6);(42.0,1.71);(43.0,73.42);(44.0,1.81);(51.0,3.89);(52.0,1.98);(53.0,7.02);(55.0,7.2);(63.0,1.81);(64.0,1.0);(65.0,5.46);(66.0,1.58);(67.0,3.67);(69.0,4.59);(71.0,2.19);(77.0,10.98);(78.0,2.94);(79.0,8.25);(80.0,1.58);(81.0,4.36);(91.0,16.03);(92.0,2.5);(93.0,10.97);(94.0,1.52);(95.0,7.17);(96.0,1.33);(103.0,1.82);(105.0,7.21);(106.0,1.48);(107.0,6.83);(108.0,1.69);(109.0,4.87);(110.0,1.58);(115.0,2.29);(117.0,2.21);(119.0,5.77);(121.0,7.18);(122.0,5.78);(123.0,3.12);(131.0,1.77);(133.0,6.6);(134.0,1.37);(135.0,14.53);(136.0,3.83);(147.0,1.07);(149.0,6.4);(159.0,4.13);(161.0,1.01);(162.0,1.55);(177.0,99.99);(178.0,11.84);(179.0,1.02);(192.0,5.51)
GC-MS	EI-B	positive	Not Available	View Spectrum	(32.0,2.79);(43.0,55.87);(55.0,5.08);(59.0,24.27);(69.0,8.47);(71.0,12.85);(79.0,2.96);(81.0,6.61);(93.0,11.13);(95.0,11.61);(107.0,7.52);(109.0,8.62);(121.0,9.21);(122.0,8.29);(133.0,6.38);(135.0,15.43);(149.0,8.77);(159.0,5.55);(177.0,99.99);(178.0,12.62);(192.0,7.05)
GC-MS	EI-B	positive	Not Available	View Spectrum	(41.0,5.23);(43.0,64.43);(55.0,6.91);(67.0,3.43);(69.0,8.67);(71.0,5.23);(77.0,1.47);(79.0,3.18);(81.0,5.25);(91.0,5.72);(93.0,14.11);(94.0,3.12);(95.0,9.82);(96.0,18.71);(97.0,1.47);(105.0,7.21);(107.0,9.82);(108.0,0.83);(109.0,10.11);(110.0,3.43);(119.0,8.06);(121.0,8.06);(122.0,10.11);(123.0,27.44);(124.0,1.47);(131.0,1.12);(133.0,10.11);(135.0,20.86);(136.0,8.06);(147.0,1.47);(149.0,10.98);(159.0,6.36);(162.0,3.75);(177.0,99.99);(178.0,21.1);(192.0,12.14)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,2.157400983);(43.01783932,7.070438757);(53.03857442,1.490850358);(55.05422362,3.839781918);(57.03348852,2.333250521);(67.05422362,1.88096058);(69.06987282,4.535328841);(81.06987282,1.365665814);(107.0491377,2.167509963);(121.1011712,3.188896323);(123.1168204,1.68260276);(135.0804361,2.121672507);(135.1168204,6.249527889);(136.0882607,1.281634491);(137.0960853,1.515549458);(148.124645,1.91748106);(149.0960853,7.03247449);(149.1324696,7.408195814);(150.1039099,2.243021899);(150.1402942,1.870704067);(151.1117345,2.029984133);(151.1481188,1.61576627);(163.1117345,2.830669889);(164.1195591,2.386737869);(165.1273837,1.633260213);(175.1481188,1.510592757);(176.1195591,3.574417808);(177.1273837,14.95673437);(178.1307958,2.052845982);(191.1430329,1.602420275);(192.1508575,2.453621946)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(25.00727602,0.9220940007);(27.02292522,2.058452269);(43.01783932,3.795202447);(53.03857442,0.8943624418);(55.05422362,2.571099887);(57.03348852,1.284465655);(67.05422362,1.128389908);(69.06987282,2.720747764);(121.1011712,1.920817277);(123.1168204,1.009394877);(133.1011712,0.8137392704);(135.0804361,1.869707996);(135.1168204,4.266408244);(137.0960853,0.905929813);(147.1168204,0.8895554724);(148.124645,1.034344878);(149.0960853,4.242440037);(149.1324696,5.341974522);(150.1039099,1.347292589);(150.1402942,1.876363433);(151.1117345,2.196700369);(151.1481188,1.1296198);(163.1117345,1.725293339);(164.1195591,1.460754034);(165.1273837,1.203820773);(175.1481188,1.212593404);(176.1195591,2.108059331);(177.1273837,8.970078775);(178.1307958,1.231163817);(191.1430329,0.8412944789);(192.1508575,1.387035948)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.8034646362);(43.05477522,1.000316549);(51.0234751,0.5025236787);(53.03912516,0.5476720655);(57.07042529,0.6741109417);(67.05477522,0.4599295845);(69.03403978,0.9488185361);(69.07042529,1.231365994);(71.08607535,1.462467155);(83.04968984,0.4849344916);(83.08607535,0.4707203362);(85.10172542,0.6366215352);(109.0653399,0.4588755554);(123.1173755,1.519259614);(125.1330255,0.6065200289);(133.1017254,0.5037438574);(135.1173755,6.386094918);(137.09664,0.4576671249);(139.1122901,0.6047156256);(147.1173755,2.020386019);(149.09664,0.7645877625);(149.1330255,3.583010215);(151.1122901,1.399141276);(151.1486756,3.489738669);(153.1279402,0.4550978963);(159.1173755,0.6868072325);(165.1279402,0.6809722263);(167.1435902,0.9235036596);(175.1486756,28.14828295);(177.1279402,1.745981956);(193.1592403,36.34266791)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,2.403881198);(43.05477522,2.446959168);(51.0234751,3.629202663);(53.03912516,2.729287028);(55.05477522,1.47791893);(57.07042529,2.063895415);(65.03912516,2.261628613);(67.05477522,4.01386611);(69.03403978,2.356362317);(69.07042529,3.434905622);(71.08607535,3.096779023);(83.04968984,1.433600127);(83.08607535,1.791832873);(85.10172542,1.67919744);(105.0704253,1.220125276);(107.0860754,2.440150227);(109.1017254,1.751177451);(111.1173755,1.535891579);(123.1173755,2.85188416);(131.0860754,1.647259826);(133.1017254,1.694319199);(135.1173755,11.35763647);(149.09664,2.625311439);(149.1330255,2.363141068);(151.1122901,2.124273089);(151.1486756,2.157700192);(159.1173755,1.271348988);(167.1435902,1.147958154);(175.1486756,15.44725791);(177.1279402,1.185354366);(193.1592403,12.35989408)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,6.679497176);(43.05477522,4.004382484);(51.0234751,4.318328946);(53.03912516,5.575272486);(55.05477522,3.059768846);(57.07042529,3.693786427);(65.03912516,5.672743008);(67.05477522,6.855199194);(69.03403978,2.909934101);(69.07042529,5.115383945);(71.08607535,2.833481344);(81.07042529,4.773605497);(83.08607535,3.74456835);(85.10172542,1.414463534);(89.03912516,1.980844759);(93.07042529,2.970114307);(95.08607535,1.568581064);(105.0704253,1.8721297);(107.0496898,1.403108066);(107.0860754,2.484442377);(109.1017254,1.887927635);(121.1017254,2.255668664);(123.1173755,1.405033335);(131.0860754,2.261852586);(133.1017254,2.251575161);(135.1173755,3.250889197);(145.1017254,1.685449691);(147.1173755,4.14524858);(149.1330255,2.951962866);(151.1486756,1.709214097);(159.1173755,3.265542579)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.2761835242);(27.0234751,0.1052896811);(39.0234751,0.0558123371);(41.00273965,0.5004449075);(41.03912516,0.0738081188);(43.01838972,0.4006843798);(55.05477522,0.175467346);(57.03403978,0.514620844);(69.03403978,0.0420539438);(69.07042529,0.1353715395);(81.03403978,0.0559854186);(83.08607535,0.175467346);(107.0496898,0.1635711029);(121.0653399,0.0722586234);(123.08099,0.0615634207);(123.1173755,0.1549564228);(133.1017254,0.1317412466);(135.08099,0.1677764243);(137.09664,0.0342269134);(145.1017254,0.0536793208);(147.08099,0.0329632581);(147.1173755,0.4012423984);(149.09664,0.2504674909);(149.1330255,7.093118522);(151.1122901,0.108579638);(161.09664,0.0503014293);(163.1122901,0.3770941786);(165.1279402,0.1066624116);(173.1330255,6.840152909);(175.1122901,2.630830763);(191.1435902,78.75762414)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.5473441735);(39.0234751,0.4488375214);(41.00273965,1.983405266);(41.03912516,0.1516717384);(43.01838972,0.5279422363);(55.05477522,0.3143308849);(57.03403978,3.354363304);(69.03403978,0.1740559847);(69.07042529,0.2916165044);(81.03403978,0.3186707368);(83.08607535,0.3143308849);(107.0496898,0.2698806716);(109.1017254,0.1501290517);(121.0653399,0.1479277083);(123.1173755,0.4848985176);(133.1017254,0.9132046439);(135.08099,0.2866389948);(137.09664,0.2015928757);(145.1017254,1.079362896);(147.08099,0.2595732558);(147.1173755,2.43091576);(149.09664,0.7278272165);(149.1330255,20.76020777);(151.1122901,0.7947660208);(157.1017254,0.2517481217);(161.09664,0.153392945);(163.1122901,0.3359593182);(165.1279402,0.318865147);(173.1330255,5.625791522);(175.1122901,3.923005558);(191.1435902,52.45774277)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(15.0234751,1.162144914);(39.0234751,2.473602586);(41.00273965,7.845844711);(41.03912516,0.8865289935);(43.01838972,0.9911573546);(51.0234751,0.9939404461);(53.00273965,0.8441620135);(55.05477522,1.46394631);(57.03403978,5.626656483);(67.01838972,1.097926732);(69.07042529,1.189571753);(83.08607535,1.46394631);(107.0860754,2.466677984);(121.1017254,1.566856777);(123.1173755,3.584232797);(131.0860754,2.017221336);(133.1017254,9.678196521);(135.08099,1.171287666);(145.1017254,2.822794646);(147.08099,2.009570633);(147.1173755,4.107402254);(149.09664,1.710309695);(149.1330255,5.3432759);(151.1122901,0.7643650514);(157.1017254,2.349768013);(159.08099,5.438195927);(161.09664,1.709787474);(163.1122901,1.053223951);(173.1330255,8.712400246);(175.1122901,13.62464452);(191.1435902,3.830360002)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01784,6.38);(79.05423,6.58);(79.05423,6.58);(81.06988,16.25);(81.06988,16.25);(83.08553,6.57);(83.08553,6.57);(93.06988,7.36);(93.06988,7.36);(93.06988,7.36);(93.06988,7.36);(107.08553,11.24);(107.08553,11.24);(107.08553,11.24);(107.08553,11.24);(107.08553,11.24);(107.08553,11.24);(107.08553,11.24);(109.06479,12.12);(109.10118,7.72);(109.10118,7.72);(109.10118,7.72);(109.10118,7.72);(109.10118,7.72);(109.10118,7.72);(117.06988,6.33);(117.06988,6.33);(121.10118,7.25);(121.10118,7.25);(121.10118,7.25);(121.10118,7.25);(121.10118,7.25);(121.10118,7.25);(121.10118,7.25);(123.11683,43.43);(123.11683,43.43);(123.11683,43.43);(123.11683,43.43);(123.11683,43.43);(123.11683,43.43);(123.11683,43.43);(125.13248,11.96);(125.13248,11.96);(125.13248,11.96);(125.13248,11.96);(125.13248,11.96);(125.13248,11.96);(125.13248,11.96);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(133.10118,10.06);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(135.11683,42.08);(137.09609,8.54);(137.09609,8.54);(149.13248,6.59);(149.13248,6.59);(149.13248,6.59);(149.13248,6.59);(149.13248,6.59);(149.13248,6.59);(149.13248,6.59);(151.11174,11.0);(151.11174,11.0);(151.11174,11.0);(175.14813,15.28);(175.14813,15.28);(175.14813,15.28);(175.14813,15.28);(175.14813,15.28);(175.14813,15.28);(177.12739,6.04);(177.12739,6.04);(177.12739,6.04);(177.12739,6.04);(177.12739,6.04);(177.12739,6.04);(177.12739,6.04);(193.15869,100.0);(193.15869,100.0);(193.15869,100.0);(193.15869,100.0);(193.15869,100.0);(193.15869,100.0);(193.15869,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(43.01784,64.99);(55.05423,14.93);(55.05423,14.93);(57.06988,17.67);(67.05423,13.42);(67.05423,13.42);(69.06988,15.13);(69.06988,15.13);(79.05423,44.51);(79.05423,44.51);(81.06988,46.76);(81.06988,46.76);(83.08553,25.96);(83.08553,25.96);(91.05423,25.86);(91.05423,25.86);(91.05423,25.86);(91.05423,25.86);(93.06988,29.57);(93.06988,29.57);(93.06988,29.57);(93.06988,29.57);(95.08553,21.44);(95.08553,21.44);(95.08553,21.44);(95.08553,21.44);(95.08553,21.44);(95.08553,21.44);(105.06988,40.57);(105.06988,40.57);(105.06988,40.57);(105.06988,40.57);(107.08553,35.62);(107.08553,35.62);(107.08553,35.62);(107.08553,35.62);(107.08553,35.62);(107.08553,35.62);(107.08553,35.62);(109.06479,21.05);(109.10118,21.19);(109.10118,21.19);(109.10118,21.19);(109.10118,21.19);(109.10118,21.19);(109.10118,21.19);(117.06988,34.22);(117.06988,34.22);(119.08553,18.81);(119.08553,18.81);(119.08553,18.81);(119.08553,18.81);(119.08553,18.81);(121.10118,33.88);(121.10118,33.88);(121.10118,33.88);(121.10118,33.88);(121.10118,33.88);(121.10118,33.88);(121.10118,33.88);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(123.11683,100.0);(125.13248,16.97);(125.13248,16.97);(125.13248,16.97);(125.13248,16.97);(125.13248,16.97);(125.13248,16.97);(125.13248,16.97);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(133.10118,28.29);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(135.11683,26.43);(193.15869,11.84);(193.15869,11.84);(193.15869,11.84);(193.15869,11.84);(193.15869,11.84);(193.15869,11.84);(193.15869,11.84)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,28.11);(43.01784,100.0);(43.05423,21.83);(55.05423,28.19);(55.05423,28.19);(57.06988,19.85);(65.03858,21.19);(65.03858,21.19);(67.05423,25.79);(67.05423,25.79);(69.06988,28.63);(69.06988,28.63);(77.03858,19.3);(79.05423,50.31);(79.05423,50.31);(81.06988,62.6);(81.06988,62.6);(91.05423,41.0);(91.05423,41.0);(91.05423,41.0);(91.05423,41.0);(93.06988,38.35);(93.06988,38.35);(93.06988,38.35);(93.06988,38.35);(103.05423,17.72);(103.05423,17.72);(105.06988,66.02);(105.06988,66.02);(105.06988,66.02);(105.06988,66.02);(107.08553,38.42);(107.08553,38.42);(107.08553,38.42);(107.08553,38.42);(107.08553,38.42);(107.08553,38.42);(107.08553,38.42);(117.06988,25.99);(117.06988,25.99);(119.08553,32.84);(119.08553,32.84);(119.08553,32.84);(119.08553,32.84);(119.08553,32.84);(121.10118,21.77);(121.10118,21.77);(121.10118,21.77);(121.10118,21.77);(121.10118,21.77);(121.10118,21.77);(121.10118,21.77);(131.08553,15.1);(131.08553,15.1);(131.08553,15.1);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(133.10118,23.19);(149.13248,18.27);(149.13248,18.27);(149.13248,18.27);(149.13248,18.27);(149.13248,18.27);(149.13248,18.27);(149.13248,18.27);(159.11683,14.19);(159.11683,14.19)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(121.10227,23.19);(121.10227,23.19);(123.11792,15.64);(123.11792,15.64);(123.11792,15.64);(147.11792,21.86);(147.11792,21.86);(147.11792,21.86);(147.11792,21.86);(149.13357,63.18);(149.13357,63.18);(149.13357,63.18);(149.13357,63.18);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0);(191.14414,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,42.34);(43.01894,16.77);(57.03459,27.23);(107.08662,17.58);(107.08662,17.58);(117.07097,29.93);(123.11792,38.7);(123.11792,38.7);(123.11792,38.7);(129.07097,30.17);(131.08662,21.24);(131.08662,21.24);(133.10227,55.85);(133.10227,55.85);(133.10227,55.85);(133.10227,55.85);(133.10227,55.85);(133.10227,55.85);(145.10227,94.21);(147.11792,100.0);(147.11792,100.0);(147.11792,100.0);(147.11792,100.0);(149.13357,18.63);(149.13357,18.63);(149.13357,18.63);(149.13357,18.63);(157.10227,30.68);(157.10227,30.68);(157.10227,30.68);(173.13357,27.12);(173.13357,27.12);(173.13357,27.12);(173.13357,27.12);(175.11284,47.17);(175.11284,47.17);(175.11284,47.17);(175.11284,47.17);(175.11284,47.17);(175.11284,47.17);(189.12849,38.23);(191.14414,45.24);(191.14414,45.24);(191.14414,45.24);(191.14414,45.24);(191.14414,45.24);(191.14414,45.24);(191.14414,45.24)

Food Sources

	Name	Group
	Apricot	Fruit, Drupes	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 beta-Ionone