(+)-Neomenthol
precursor
Showing entry for (+)-Neomenthol
Identification
- PhytoHub ID
- PHUB002809
- Name
- (+)-Neomenthol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 491-01-0
- Average Mass
- 156.269
- Monoisotopic Mass
- 156.151415264
- Chemical Formula
- C10H20O
- IUPAC Name
- Not Available
- InChI Key
- NOOLISFMXDJSKH-UTLUCORTSA-N
- InChI Identifier
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
- SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
- Structure
Structure for (+)-Neomenthol
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,3.208516982);(41.03857442,4.812738038);(42.04639902,1.797042067);(43.01783932,1.061435604);(43.05422362,6.860910631);(54.04639902,1.39550878);(55.05422362,6.352751924);(56.06204822,2.306573181);(57.06987282,2.133392279);(69.06987282,1.023159097);(70.07769742,1.195318558);(71.04913772,1.14706664);(83.08552202,1.733855902);(84.09334662,1.358145614);(85.10117122,1.115034019);(95.08552202,1.053306706);(98.07261152,1.2673902);(99.08043612,2.531046597);(100.0882607,1.304624989);(111.1168204,1.408283478);(112.0882607,1.624538384);(112.124645,1.157572532);(113.0960853,4.554518838);(114.1039099,1.533237682);(125.1324696,1.538745073);(126.1402942,1.027801985);(127.1117345,1.405244047);(138.1402942,1.424300355);(139.1481188,2.9154811);(140.1195591,1.076582541);(141.1273837,5.686035389) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.1635928);(41.03857442,1.529298873);(43.05422362,4.236488625);(55.05422362,3.920163371);(56.06204822,1.16826133);(57.06987282,1.017252894);(59.03115062,1.039400073);(69.06987282,1.151001641);(73.04679982,5.823533975);(75.02606472,3.102912225);(75.06244902,1.149674766);(83.08552202,1.472381538);(84.09334662,1.026702325);(89.04171392,5.69493862);(91.05736312,1.242996933);(111.1168204,1.114650069);(125.1324696,1.075336471);(138.1402942,1.029014336);(139.1481188,2.324057758);(143.0886615,1.382002051);(155.1430329,1.057500519);(171.1199599,2.950536307);(172.1277845,1.343732593);(173.1356091,0.9182176565);(184.1277845,1.251387645);(185.1356091,4.749323241);(186.1434337,1.500034363);(199.1512583,1.096187921);(212.1590829,1.214417821);(213.1669075,7.986777927);(214.1693084,1.51019388) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (27.02292522,3.208516982);(41.03857442,4.812738038);(42.04639902,1.797042067);(43.01783932,1.061435604);(43.05422362,6.860910631);(54.04639902,1.39550878);(55.05422362,6.352751924);(56.06204822,2.306573181);(57.06987282,2.133392279);(69.06987282,1.023159097);(70.07769742,1.195318558);(71.04913772,1.14706664);(83.08552202,1.733855902);(84.09334662,1.358145614);(85.10117122,1.115034019);(95.08552202,1.053306706);(98.07261152,1.2673902);(99.08043612,2.531046597);(100.0882607,1.304624989);(111.1168204,1.408283478);(112.0882607,1.624538384);(112.124645,1.157572532);(113.0960853,4.554518838);(114.1039099,1.533237682);(125.1324696,1.538745073);(126.1402942,1.027801985);(127.1117345,1.405244047);(138.1402942,1.424300355);(139.1481188,2.9154811);(140.1195591,1.076582541);(141.1273837,5.686035389) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (43.05477522,0.1180696693);(55.05477522,0.5608023102);(57.07042529,0.695289083);(59.08607535,0.1387306515);(69.07042529,0.44841113);(71.04968984,0.1381911635);(71.08607535,0.5097135135);(73.06533991,0.1929822416);(81.07042529,0.0968732764);(83.08607535,0.5116384342);(85.06533991,0.0922516086);(85.10172542,0.5274056621);(87.08098997,0.0916402809);(95.08607535,1.772773225);(97.10172542,1.519803816);(99.08098997,0.3440179168);(99.11737548,0.4363075026);(101.09664,0.3671708071);(111.1173755,0.350694919);(113.09664,0.5599443161);(113.1330255,0.5532285881);(115.1122901,1.560321425);(117.1279402,0.1013973744);(123.1173755,0.5484272531);(125.1330255,0.7124562676);(127.1122901,0.0924386028);(127.1486756,1.231542531);(129.1279402,0.1686348552);(139.1486756,43.9128442);(141.1279402,0.557964006);(157.1592403,41.08803337) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03912516,1.808808396);(43.05477522,2.872145174);(45.07042529,0.475388524);(53.03912516,0.8639113929);(55.05477522,2.718552892);(57.07042529,4.959838525);(59.08607535,0.801554547);(67.05477522,0.9770662285);(69.07042529,3.04523122);(71.08607535,1.769138561);(73.06533991,0.457806836);(81.07042529,1.231515807);(83.08607535,3.147707902);(85.10172542,1.473241773);(87.11737548,0.4456650766);(95.08607535,4.040969635);(97.10172542,4.762785307);(99.08098997,1.16060738);(99.11737548,2.532993932);(101.09664,1.504708948);(111.1173755,1.594573273);(113.09664,2.112281303);(113.1330255,1.204544958);(115.1122901,4.250442427);(123.1173755,1.340630742);(125.1330255,0.9943704108);(127.1486756,1.723586047);(129.1279402,0.3484019498);(139.1486756,26.54132533);(141.1279402,0.7098981094);(157.1592403,18.13030739) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,0.45161768);(41.03912516,4.537966365);(43.05477522,1.44480142);(53.03912516,3.614653718);(55.05477522,10.64730703);(57.07042529,10.63176742);(59.08607535,2.222621973);(67.05477522,4.693581904);(69.07042529,11.84488807);(71.08607535,5.417710219);(73.10172542,0.9693307368);(81.07042529,3.223611458);(83.08607535,7.097404221);(85.06533991,0.3647420581);(85.10172542,2.727305025);(87.11737548,0.8244931003);(95.08607535,2.949967096);(97.10172542,2.228900545);(99.08098997,0.6662452325);(99.11737548,1.296750705);(109.1017254,2.201251976);(111.1173755,3.923963202);(113.09664,0.5553755817);(113.1330255,2.344902566);(115.1486756,0.6009157185);(123.1173755,5.326243994);(125.1330255,0.9717613766);(127.1122901,0.3760191781);(127.1486756,1.476520836);(139.1486756,3.121692029);(141.1279402,1.245687559) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.2086639831);(29.00273965,0.0265857514);(43.01838972,0.0777197559);(45.03403978,0.012546801);(53.03912516,0.0120698644);(55.05477522,0.101360408);(57.07042529,0.0299628371);(69.07042529,0.0722327497);(71.04968984,0.0380646038);(71.08607535,0.0198327577);(83.08607535,0.0184975812);(85.06533991,0.071872838);(95.08607535,0.0476109481);(97.06533991,0.0187497236);(99.08098997,0.1194128331);(101.09664,0.0177787511);(109.1017254,0.0210559372);(111.08099,0.0257996928);(111.1173755,0.093066541);(113.09664,0.1866415116);(113.1330255,0.035636068);(115.1122901,0.0255061389);(121.1017254,0.101495242);(123.1173755,0.2339374495);(125.09664,0.0272312949);(125.1330255,1.091725632);(127.1122901,0.1986684148);(129.1279402,0.1027937105);(137.1330255,14.2910712);(139.1122901,0.4573643623);(155.1435902,82.21504461) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.4512224711);(43.01838972,0.0797268105);(53.03912516,0.1033346107);(55.05477522,0.6151867958);(57.07042529,0.2289484764);(69.07042529,0.416302913);(71.04968984,0.1127885465);(71.08607535,0.0894483855);(81.07042529,0.1025982743);(83.04968984,0.084145117);(83.08607535,0.2528818017);(85.06533991,0.3154043252);(85.10172542,0.1023065114);(93.07042529,0.1765749796);(95.08607535,1.20304322);(97.06533991,0.2930099484);(97.10172542,0.4990333272);(99.08098997,0.521384773);(111.08099,1.055464479);(111.1173755,0.1963413265);(113.09664,2.51657851);(115.1122901,0.1945297912);(121.1017254,0.1298996806);(123.1173755,0.1329417806);(125.09664,0.1196828222);(125.1330255,0.9943195471);(127.1122901,0.1987002886);(129.1279402,0.1203275204);(137.1330255,24.82407117);(139.1122901,0.9715257119);(155.1435902,62.89827608) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.0234751,1.541355184);(41.00273965,1.640437866);(43.01838972,5.632582812);(53.03912516,2.696559535);(55.05477522,5.814590186);(57.07042529,2.710840096);(67.05477522,1.598607424);(69.03403978,1.170114515);(69.07042529,3.653596085);(71.04968984,1.227418746);(71.08607535,1.611999768);(81.07042529,1.794585401);(83.08607535,2.762680354);(85.06533991,1.010227443);(95.08607535,2.294725538);(97.06533991,3.742100436);(99.08098997,2.954937687);(109.1017254,2.320579043);(111.08099,3.929275075);(111.1173755,1.640302445);(113.09664,7.279081409);(115.1122901,0.9558135808);(121.1017254,2.479355461);(123.08099,2.422905464);(123.1173755,4.337739286);(125.09664,1.396469006);(125.1330255,4.645882444);(127.1122901,1.799786);(137.1330255,2.918565812);(139.1122901,10.30240442);(155.1435902,9.714481481) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (43.05423,30.09);(55.05423,15.42);(55.05423,15.42);(69.06988,19.23);(69.06988,19.23);(71.08553,16.32);(71.08553,16.32);(83.08553,23.18);(83.08553,23.18);(83.08553,23.18);(85.10118,11.82);(95.08553,17.97);(95.08553,17.97);(95.08553,17.97);(95.08553,17.97);(97.10118,100.0);(97.10118,100.0);(97.10118,100.0);(111.11683,12.64);(111.11683,12.64);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(113.09609,21.32);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(115.11174,65.93);(139.14813,42.07);(139.14813,42.07);(139.14813,42.07);(139.14813,42.07);(157.15869,81.98);(157.15869,81.98);(157.15869,81.98);(157.15869,81.98);(157.15869,81.98);(157.15869,81.98);(157.15869,81.98) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (41.03858,42.62);(43.05423,89.99);(55.05423,77.34);(55.05423,77.34);(57.06988,75.0);(57.06988,75.0);(69.06988,66.81);(69.06988,66.81);(71.08553,41.68);(71.08553,41.68);(83.08553,97.03);(83.08553,97.03);(83.08553,97.03);(85.10118,82.69);(95.08553,80.63);(95.08553,80.63);(95.08553,80.63);(95.08553,80.63);(97.10118,100.0);(97.10118,100.0);(97.10118,100.0);(111.11683,28.24);(111.11683,28.24);(139.14813,55.32);(139.14813,55.32);(139.14813,55.32);(139.14813,55.32);(157.15869,27.01);(157.15869,27.01);(157.15869,27.01);(157.15869,27.01);(157.15869,27.01);(157.15869,27.01);(157.15869,27.01) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03858,75.77);(43.05423,100.0);(55.05423,30.68);(55.05423,30.68);(69.06988,20.46);(69.06988,20.46);(83.08553,19.5);(83.08553,19.5);(83.08553,19.5);(95.08553,58.39);(95.08553,58.39);(95.08553,58.39);(95.08553,58.39);(97.10118,21.87);(97.10118,21.87);(97.10118,21.87) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (137.13357,10.12);(137.13357,10.12);(137.13357,10.12);(137.13357,10.12);(153.12849,11.03);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0);(155.14414,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (43.01894,8.78);(81.07097,5.43);(83.05024,5.29);(121.10227,23.28);(121.10227,23.28);(123.08154,14.45);(123.08154,14.45);(137.13357,19.9);(137.13357,19.9);(137.13357,19.9);(137.13357,19.9);(139.11284,22.1);(139.11284,22.1);(139.11284,22.1);(139.11284,22.1);(139.11284,22.1);(139.11284,22.1);(153.12849,100.0);(155.14414,62.81);(155.14414,62.81);(155.14414,62.81);(155.14414,62.81);(155.14414,62.81);(155.14414,62.81);(155.14414,62.81) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Peppermint | 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