PhytoHub: Showing entry for Myrtenol

Myrtenol

Identification

PhytoHub ID

PHUB001027

Name

Myrtenol

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

152.237

Monoisotopic Mass

152.120115135

Chemical Formula

C₁₀H₁₆O

IUPAC Name

{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol

InChI Key

RXBQNMWIQKOSCS-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3

SMILES

CC1(C)C2CC1C(CO)=CC2

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.67e+00 g/l
LogS (ALOGPS): -1.96
LogP (ALOGPS): 2.71
Hydrogen Acceptors: 1
Hydrogen Donors: 1
Rotatable Bond Count: 1
Polar Surface Area: 20.23
Refractivity: 46.497
Polarizability: 18.104555949368933
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -1.8813307803677821
pKa (strongest acidic): 17.097551942460488
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No

External Links

PubChem: 10582
FooDB (Compounds): FDB013759
PeakForestCompound: 000754

Taxonomy as Metabolite

Family: Terpenoid metabolites
Class: Monoterpenoid metabolites
Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Pinene-alpha	Terpenoids	Monoterpenoids	Not Available	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Monoterpenoids
Direct Parent Name: Bicyclic monoterpenoids
Alternative Parent Names: ["Hydrocarbon derivatives", "Primary alcohols"]
External Descriptor Annotations: ["Bicyclic monoterpenoids", "Cyclic monoterpenes", "monoterpenoid"]
Substituent Names: ["Alcohol", "Aliphatic homopolycyclic compound", "Bicyclic monoterpenoid", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Pinane monoterpenoid", "Primary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(27.0,11.49);(28.0,1.41);(29.0,6.85);(31.0,8.91);(39.0,17.07);(40.0,2.66);(41.0,24.07);(42.0,2.31);(43.0,12.61);(50.0,1.58);(51.0,6.56);(52.0,3.07);(53.0,9.79);(54.0,1.7);(55.0,10.61);(56.0,1.29);(57.0,1.4);(59.0,1.73);(63.0,1.75);(65.0,6.57);(66.0,2.99);(67.0,12.11);(68.0,3.07);(69.0,4.52);(70.0,1.54);(77.0,16.95);(78.0,6.08);(79.0,99.99);(80.0,8.97);(81.0,7.94);(82.0,2.71);(83.0,2.73);(85.0,2.43);(91.0,40.68);(92.0,8.19);(93.0,16.66);(94.0,2.65);(95.0,4.79);(96.0,3.03);(103.0,1.73);(105.0,7.63);(106.0,2.86);(107.0,7.41);(108.0,28.14);(109.0,8.01);(117.0,1.36);(119.0,14.73);(120.0,1.39);(121.0,8.35);(134.0,1.58);(152.0,4.45)
GC-MS	EI-B	positive	Not Available	View Spectrum	(27.0,11.49);(28.0,1.41);(29.0,6.85);(31.0,8.91);(39.0,17.07);(40.0,2.66);(41.0,24.07);(42.0,2.31);(43.0,12.61);(50.0,1.58);(51.0,6.56);(52.0,3.07);(53.0,9.79);(54.0,1.7);(55.0,10.61);(56.0,1.29);(57.0,1.4);(59.0,1.73);(63.0,1.75);(65.0,6.57);(66.0,2.99);(67.0,12.11);(68.0,3.07);(69.0,4.52);(70.0,1.54);(77.0,16.95);(78.0,6.08);(79.0,99.99);(80.0,8.97);(81.0,7.94);(82.0,2.71);(83.0,2.73);(85.0,2.43);(91.0,40.68);(92.0,8.19);(93.0,16.66);(94.0,2.65);(95.0,4.79);(96.0,3.03);(103.0,1.73);(105.0,7.63);(106.0,2.86);(107.0,7.41);(108.0,28.14);(109.0,8.01);(117.0,1.36);(119.0,14.73);(120.0,1.39);(121.0,8.35);(134.0,1.58);(152.0,4.45)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,1.902087877);(27.02292522,2.011360891);(29.00219012,1.004614555);(30.01001472,1.003733018);(31.01783932,3.419930665);(39.02292522,2.075523393);(41.03857442,4.823961489);(43.05422362,2.970048687);(55.01783932,1.291473661);(79.05422362,4.45645718);(81.06987282,3.764972237);(91.05422362,1.027763754);(93.06987282,3.000463253);(95.08552202,1.3815963);(105.0698728,2.908252054);(107.085522,1.882893939);(109.0647869,1.358247865);(119.085522,1.502456102);(120.0933466,4.974038422);(121.1011712,12.33913997);(122.1045821,1.267174672);(122.1089958,4.970727116);(123.1168204,2.544227701);(124.124645,2.540244799);(134.1089958,4.367581236);(135.1168204,3.361499902);(136.0882607,1.608001492);(137.0960853,5.339704455);(151.1117345,2.079444469);(152.1195591,11.50283741);(153.1229785,1.319541438)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,0.9723445368);(39.02292522,1.243292369);(59.03115062,1.485614306);(71.03115062,2.516840455);(73.01041552,1.03633214);(73.04679982,13.06798298);(74.04796012,1.118178121);(74.05462442,1.412574274);(75.02606472,2.875748976);(75.06244902,2.412208998);(81.06987282,1.485505397);(89.04171392,5.735825081);(90.04953852,1.173167162);(91.05736312,1.974861602);(93.06987282,1.159296284);(95.08552202,2.542929623);(103.0573631,3.17380928);(113.0417139,0.9514324534);(120.0933466,1.289668337);(121.1011712,2.80844015);(122.1089958,1.503124628);(123.1168204,1.171889982);(134.1089958,1.969111409);(135.1168204,2.822969531);(151.1117345,2.220006713);(152.1195591,1.770191283);(153.1273837,1.098118215);(208.1277845,1.638046484);(209.1356091,6.812768835);(210.1379976,1.284116042);(224.1590829,2.292325013)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(31.01783932,3.19153088);(105.0698728,3.833476142);(107.085522,2.814868168);(119.085522,4.271150467);(120.0933466,6.788361011);(121.1011712,18.95713601);(122.1045821,1.946813366);(122.1089958,7.639846316);(123.1168204,4.237895306);(134.1089958,6.216336764);(135.1168204,5.449040988);(137.0960853,5.236191255);(152.1195591,10.07243312)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(31.01783932,3.19153088);(105.0698728,3.833476142);(107.085522,2.814868168);(119.085522,4.271150467);(120.0933466,6.788361011);(121.1011712,18.95713601);(122.1045821,1.946813366);(122.1089958,7.639846316);(123.1168204,4.237895306);(134.1089958,6.216336764);(135.1168204,5.449040988);(137.0960853,5.236191255);(152.1195591,10.07243312)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,1.424000961);(57.01550142,1.256093305);(57.06987282,3.084638476);(59.03115062,3.826194614);(61.04679982,1.189899139);(73.01041552,3.354811813);(75.02606472,10.49749893);(77.04171392,2.667023971);(87.02606472,1.003885295);(89.04171392,3.895719142);(91.05736312,1.133906077);(115.0937474,0.9108575647);(117.0730123,1.211157612);(119.085522,1.584433033);(121.1011712,2.225672876);(131.0886615,1.348786291);(133.1011712,1.576368461);(134.1089958,1.134705139);(135.1168204,4.298478521);(137.1324696,1.157966785);(149.0960853,0.8405883831);(151.1117345,1.426441336);(152.1195591,1.124227319);(193.1043107,2.020956948);(195.1199599,2.615421443);(208.1277845,0.8256822552);(209.1356091,10.94746134);(210.1379976,2.063450422);(210.1434337,1.822907774);(211.1512583,1.600592926);(251.1825567,2.33918765)
LC-MS/MS	n/a	positive	low	View Spectrum	(43.1,0.68);(57.1,0.64);(79.1,2.87);(89.1,1.37);(93.1,34.61);(107.1,57.31);(117.1,0.73);(119.1,1.79)
LC-MS/MS	QTOF	positive	low	View Spectrum	(43.05,0.72);(55.05,1.18);(57.07,0.91);(67.05,0.42);(69.07,0.78);(77.03,1.73);(79.05,10.25);(91.05,1.87);(93.07,24.5);(107.08,15.32);(134.1,1.03);(135.11,41.28)
LC-MS/MS	QTOF	positive	low	View Spectrum	(43.05,0.65);(55.05,0.97);(57.07,0.81);(67.05,0.35);(69.07,0.71);(77.03,2.18);(79.05,11.0);(81.06,0.58);(91.05,2.7);(93.07,26.83);(105.07,0.67);(107.08,16.6);(134.1,1.05);(135.11,34.89)
LC-MS/MS	QTOF	positive	low	View Spectrum	(43.05,1.05);(55.05,1.91);(57.07,0.7);(67.05,0.52);(69.07,1.29);(77.03,3.33);(79.05,12.33);(81.07,0.81);(91.05,3.43);(93.07,30.87);(105.07,0.65);(106.07,0.36);(107.08,17.71);(119.08,0.36);(134.1,0.52);(135.11,24.15)
LC-MS/MS	QTOF	positive	low	View Spectrum	(41.04,0.64);(43.05,1.64);(55.05,2.79);(57.07,0.65);(67.05,0.82);(69.07,1.26);(77.03,6.27);(79.05,14.09);(81.07,0.74);(91.05,6.55);(93.07,33.41);(105.06,0.95);(106.07,0.38);(107.08,17.08);(119.08,0.42);(134.1,0.45);(135.11,11.87)
LC-MS/MS	QTOF	positive	low	View Spectrum	(41.04,1.31);(43.05,1.76);(51.02,0.69);(55.05,4.54);(57.07,0.53);(65.03,0.44);(67.05,0.75);(69.07,1.57);(77.03,14.55);(79.05,14.91);(81.07,1.33);(91.05,11.97);(93.07,28.16);(94.07,0.45);(105.07,2.0);(106.07,0.44);(107.08,11.4);(119.08,0.31);(135.11,2.9)
LC-MS/MS	QTOF	positive	low	View Spectrum	(41.04,1.69);(43.05,1.57);(51.02,0.79);(53.04,0.45);(55.05,4.47);(57.07,0.6);(65.03,0.75);(67.05,0.9);(69.07,1.11);(77.04,19.49);(78.04,0.39);(79.05,13.82);(81.07,1.44);(91.05,15.09);(92.05,0.27);(93.07,23.52);(94.07,0.48);(105.07,2.33);(106.07,0.53);(107.08,8.47);(119.08,0.4);(135.11,1.42)
LC-MS/MS	QTOF	positive	low	View Spectrum	(41.04,2.01);(43.05,1.52);(51.02,1.57);(53.04,0.33);(55.05,4.67);(57.07,0.46);(65.03,1.26);(67.05,1.13);(69.07,1.09);(77.03,26.04);(78.04,0.4);(79.05,12.23);(81.07,1.01);(91.05,19.18);(92.05,0.33);(93.07,16.76);(94.07,0.36);(105.07,3.02);(106.07,0.37);(107.08,5.84);(135.11,0.43)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,0.57);(41.04,2.33);(43.05,0.85);(51.02,2.34);(53.04,0.47);(55.05,4.16);(65.03,2.45);(67.05,0.84);(69.07,0.82);(77.03,34.34);(78.04,0.77);(79.05,11.14);(81.07,1.12);(91.05,19.58);(92.06,0.5);(93.07,11.3);(105.07,3.36);(107.08,3.06)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,0.57);(41.04,2.81);(43.05,1.44);(51.02,3.55);(53.04,0.85);(55.05,3.63);(65.04,2.66);(67.05,0.92);(69.07,0.49);(77.04,37.71);(78.04,1.06);(79.05,9.75);(81.07,0.94);(91.05,20.01);(93.07,8.19);(105.07,2.99);(107.08,2.44)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,0.58);(41.04,3.19);(43.05,1.27);(51.02,4.82);(53.04,1.01);(55.05,4.23);(65.04,3.46);(67.05,0.79);(69.07,0.65);(77.03,39.42);(78.04,1.35);(79.05,8.93);(81.07,0.73);(91.05,19.39);(92.06,0.47);(93.07,5.49);(105.06,2.82);(107.08,1.41)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,1.1);(41.04,3.24);(43.05,0.79);(51.02,6.47);(53.04,1.58);(55.05,3.87);(65.04,5.54);(67.05,1.02);(77.03,40.81);(78.04,1.88);(79.05,7.24);(81.07,0.53);(91.05,18.81);(92.06,0.51);(93.07,3.58);(105.06,2.31);(107.08,0.72)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,1.43);(41.04,3.93);(43.05,0.9);(51.02,10.74);(53.04,1.88);(55.05,3.05);(65.04,6.87);(67.05,1.01);(77.03,42.25);(78.04,1.81);(79.05,5.47);(81.06,0.43);(91.05,15.99);(92.06,0.6);(93.06,1.78);(105.06,1.85)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,1.4);(41.04,4.18);(43.05,0.73);(51.02,13.63);(53.04,2.25);(55.05,2.09);(63.02,0.42);(65.03,7.01);(67.05,0.78);(77.03,40.77);(78.04,2.07);(79.05,5.55);(81.07,0.44);(91.05,14.7);(93.06,1.82);(103.05,0.78);(105.06,1.36)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,4.16);(41.04,4.58);(43.05,0.44);(50.01,0.75);(51.02,19.15);(53.04,2.71);(55.05,1.85);(63.02,0.66);(65.04,9.35);(67.05,0.67);(77.03,35.13);(78.04,2.01);(79.05,3.67);(91.05,12.59);(93.06,0.53);(103.05,0.56);(105.07,1.19)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.02,4.76);(41.04,4.67);(50.01,1.23);(51.02,26.01);(52.03,0.73);(53.04,3.01);(55.05,1.68);(63.02,1.13);(65.04,10.62);(67.05,0.54);(77.03,28.33);(78.04,2.31);(79.05,2.8);(91.05,10.69);(92.05,0.37);(103.05,0.5);(105.06,0.61)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(93.0695,6.4);(107.0852,7.27);(134.1043,1.39);(135.0438,1.08);(135.0803,2.39);(135.1166,81.47)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0539,1.12);(93.0696,9.34);(107.0852,11.53);(134.1043,1.29);(135.0439,0.96);(135.0803,2.31);(135.1166,73.46)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0539,1.88);(93.0695,13.29);(107.0852,16.06);(134.1043,1.33);(135.0439,0.88);(135.0804,1.96);(135.1166,64.6)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0539,2.64);(91.0538,0.94);(93.0695,16.77);(107.0852,20.27);(119.0852,0.83);(134.1043,1.09);(135.0439,0.81);(135.0802,1.88);(135.1166,54.13);(135.1202,0.66)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(55.0539,0.58);(67.0539,0.45);(69.0695,0.58);(79.0539,3.49);(81.0696,0.5);(91.0538,1.44);(93.0695,20.21);(105.0695,0.68);(107.0852,23.83);(119.0852,1.1);(134.1042,0.95);(135.0438,0.73);(135.0802,1.52);(135.1166,43.45);(136.0213,0.51)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(55.0539,0.87);(67.0539,0.43);(69.0695,0.71);(77.0381,0.62);(79.0538,4.36);(81.0695,0.68);(91.0539,2.41);(93.0695,22.45);(105.0445,0.4);(105.0696,0.99);(106.0729,0.39);(107.049,0.42);(107.0852,26.51);(119.0852,1.57);(134.1043,0.75);(135.0438,0.75);(135.0802,1.38);(135.1165,33.78);(136.0212,0.54)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(55.054,1.33);(67.0539,0.64);(69.0695,0.93);(77.0382,0.92);(79.0539,5.1);(81.0695,0.96);(91.0539,3.87);(93.0695,25.1);(105.0445,0.57);(105.0695,1.52);(106.0728,0.43);(107.0488,0.55);(107.0852,27.8);(119.06,0.42);(119.0852,1.68);(120.093,0.49);(134.1042,0.71);(135.0438,0.53);(135.0802,0.92);(135.1165,25.03);(136.0212,0.49)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(55.054,2.01);(57.9346,0.28);(67.0539,0.87);(69.0696,1.15);(77.0382,2.07);(79.0539,6.86);(81.0695,1.34);(91.0539,8.32);(93.0695,25.8);(95.0488,0.54);(105.0445,1.47);(105.0696,2.85);(106.0729,0.6);(107.0488,0.59);(107.0852,27.01);(117.0696,0.34);(119.0601,0.72);(119.0852,1.87);(120.0931,0.55);(134.1043,0.42);(135.0439,0.36);(135.0803,0.65);(135.1166,12.84);(136.0213,0.48)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(53.0384,0.39);(55.054,3.14);(55.9341,0.39);(56.942,0.31);(57.9345,0.4);(65.0383,0.47);(67.0539,1.33);(69.0695,1.29);(77.0382,5.16);(79.0539,8.59);(81.0695,2.13);(91.0539,15.84);(93.0695,21.09);(94.0773,0.5);(95.0488,1.13);(105.0444,3.68);(105.0695,4.69);(106.0729,0.85);(106.0774,0.37);(107.0488,0.52);(107.0852,18.77);(109.0644,0.41);(117.0697,0.39);(119.0601,1.28);(119.0852,1.36);(120.093,0.71);(135.1166,4.3);(136.0213,0.53)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0227,0.37);(53.0384,0.7);(55.054,3.54);(55.9342,0.41);(56.942,0.37);(57.9346,0.5);(65.0383,1.19);(67.0539,1.59);(69.0696,1.11);(77.0382,8.83);(78.0461,0.32);(79.0539,9.07);(81.0695,2.15);(91.0539,23.35);(92.0617,0.31);(93.0695,13.83);(94.0775,0.42);(95.0488,1.95);(95.0852,0.25);(103.0539,0.32);(105.0444,6.56);(105.0696,6.2);(106.0729,0.5);(106.0774,0.35);(107.0489,0.44);(107.0852,10.16);(109.0645,0.4);(115.0539,0.31);(117.0696,0.36);(119.06,1.25);(119.0852,0.77);(120.0931,0.56);(135.1166,1.09);(136.0214,0.47)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0227,1.06);(53.0383,0.96);(55.054,3.42);(55.9341,0.62);(56.942,0.41);(57.9345,0.56);(65.0383,3.51);(67.0539,1.82);(69.0695,0.64);(77.0382,13.78);(78.046,0.72);(79.0539,9.38);(81.0695,2.11);(91.0538,27.63);(92.0572,0.29);(92.0617,0.51);(93.0695,6.51);(95.0487,2.82);(103.0539,0.63);(105.0444,9.64);(105.0695,7.02);(106.073,0.31);(106.0774,0.28);(107.0851,3.77);(115.054,0.38);(119.06,0.95);(119.0852,0.29)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0227,2.52);(53.0383,1.46);(55.0539,2.69);(55.9341,0.89);(56.9419,0.44);(57.9345,0.66);(65.0382,7.17);(67.0539,1.65);(69.0695,0.3);(77.0382,17.2);(78.046,1.41);(79.0538,8.71);(81.0695,1.39);(91.0538,26.95);(92.0616,0.57);(93.0694,2.46);(95.0487,3.26);(103.0538,1.11);(105.0443,11.06);(105.0695,6.07);(107.0852,1.19);(115.054,0.32);(119.0601,0.51)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,1.18);(51.0227,7.39);(53.0383,1.64);(55.0539,1.62);(55.9341,1.39);(56.942,0.49);(57.9345,0.92);(63.0227,0.77);(65.0382,12.8);(67.0539,0.95);(77.0382,18.73);(78.046,2.12);(79.0538,7.25);(81.0695,0.43);(91.0538,21.06);(92.0572,0.25);(92.0616,0.28);(93.0695,0.56);(95.0488,3.25);(103.0538,1.71);(105.0443,11.93);(105.0695,2.96);(115.0537,0.33)
LC-MS/MS	n/a	positive	low	View Spectrum	(79.0539,3.22);(91.0539,0.78);(93.0695,35.63);(107.0852,58.73);(119.0853,1.63)
LC-MS/MS	n/a	positive	low	View Spectrum	(79.0,61.21);(91.1,38.79)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(17.03912516,0.0065848933);(31.01838972,0.0159185036);(105.0704253,0.0101593374);(107.0860754,0.0034394503);(119.0860754,0.3763358936);(121.0653399,0.0005662108);(121.1017254,1.661029829);(123.1173755,0.7693723381);(135.1173755,46.68134535);(137.09664,0.2040455387);(153.1279402,50.27120266)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(17.03912516,0.0068403719);(31.01838972,0.0701269214);(105.0704253,0.0529381499);(107.0860754,0.0266050781);(119.0860754,2.352963067);(121.0653399,0.002834804);(121.1017254,2.473612305);(123.1173755,2.255180422);(135.1173755,69.5911589);(137.09664,0.2800660922);(153.1279402,22.88767389)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(17.03912516,0.1368337874);(31.01838972,0.1457421401);(105.0704253,3.067580315);(107.0860754,0.9366541286);(119.0860754,37.14220674);(121.0653399,0.2174857507);(121.1017254,4.770193042);(123.1173755,2.641446558);(135.1173755,49.22863067);(137.09664,0.7157511399);(153.1279402,0.9974757193)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.7199568356);(29.00273965,0.1424038962);(31.01838972,0.0950867335);(103.0547752,0.0019191305);(105.0704253,0.0646611089);(117.0704253,0.0548474462);(119.0496898,0.0001506707);(119.0860754,0.3661924326);(121.1017254,12.24463755);(133.1017254,13.54916655);(135.08099,0.0624757898);(151.1122901,72.69850186)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,1.525660608);(29.00273965,0.1959805256);(31.01838972,0.1201970519);(103.0547752,0.0075976314);(105.0704253,0.3654877384);(117.0704253,0.1042287061);(119.0496898,0.0002241228);(119.0860754,1.757249442);(121.1017254,34.93649322);(133.1017254,18.22099747);(135.08099,0.1333574074);(151.1122901,42.63252607)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(17.00273965,1.028885264);(29.00273965,0.9727802096);(31.01838972,0.2686946937);(103.0547752,2.468440141);(105.0704253,20.52033299);(117.0704253,2.141696212);(119.0496898,0.4929098071);(119.0860754,6.599006423);(121.1017254,51.3209427);(133.1017254,4.501437975);(135.08099,2.472491829);(151.1122901,7.212381762)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(135.11683,45.17);(153.12739,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(135.11683,100.0);(153.12739,15.12)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(105.06988,100.0);(107.08553,21.95);(119.08553,45.23);(119.08553,45.23);(121.10118,52.53)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(151.11284,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(133.10227,16.94);(151.11284,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(117.07097,10.93);(117.07097,10.93);(119.08662,26.99);(133.10227,27.24);(149.09719,19.28);(151.11284,100.0)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Pinene-alpha	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
Pinene-alpha	Nutmeg	Herbs and Spices	Publications	Show
Pinene-alpha	Orange juice	Beverages, Non-alcoholic	Publications	Show
Pinene-alpha	Pepper	Herbs and Spices	Publications	Show
Pinene-alpha	Peppermint	Herbs and Spices	Publications	Show
Pinene-alpha	Star anise	Herbs and Spices	Publications	Show
Pinene-alpha	Sweet bay	Herbs and Spices	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
	Pinene-alpha		Myrtenol	rabbit	urine	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₆O	152.120115135		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Myrtenol

Identification

Structure for Myrtenol

Calculated Properties

External Links

Taxonomy as Metabolite

Taxonomy of its Food Phytochemical Precursor(s)

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism