Isomenthol
precursor
Showing entry for Isomenthol
Identification
- PhytoHub ID
- PHUB002811
- Name
- Isomenthol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 3623-52-7
- Average Mass
- 156.269
- Monoisotopic Mass
- 156.151415264
- Chemical Formula
- C10H20O
- IUPAC Name
- Not Available
- InChI Key
- NOOLISFMXDJSKH-LPEHRKFASA-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+/m0/s1
- SMILES
CC(C)[C@@H]1CC[C@H](C)C[C@H]1O
- Structure
Structure for Isomenthol
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 LC-MS/MS | Not Available | Positive | low | View Spectrum | (95.08552677,1.751972061);(97.10117684,1.502391784);(115.1117415,1.53858151);(127.148127,1.201042027);(139.148127,43.32409353);(157.1586917,40.42896019) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03857658,1.721473395);(43.05422664,2.640939292);(55.05422664,5.805692353);(57.06987671,4.673231422);(69.06987671,2.848930598);(81.06987671,1.775856719);(83.08552677,2.901266654);(95.08552677,3.76759926);(97.10117684,4.50861846);(99.1168269,2.358941683);(113.0960915,1.988070696);(115.1117415,3.978993825);(139.148127,24.62943547);(157.1586917,16.75779205) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03857658,4.02311954);(53.03857658,3.043222545);(55.05422664,18.90304142);(57.06987671,9.543048114);(67.05422664,3.795403203);(69.06987671,10.13519612);(71.08552677,4.77342484);(81.06987671,3.6323007);(83.08552677,5.850307881);(85.10117684,2.191692281);(95.08552677,2.303631381);(111.1168269,3.032154432);(113.132477,2.261704886);(123.1168269,4.59788564);(139.148127,2.601889912) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (123.1179241,0.2320463775);(125.1335741,1.082899085);(127.1492242,0.9167339849);(137.1335741,14.1753194);(139.1128387,0.4527015243);(155.1441388,81.34355944) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (95.08662393,1.169486729);(111.0815386,1.033696278);(113.0971886,2.360347235);(125.1335741,0.9828321022);(137.1335741,24.53608646);(155.1441388,62.0626476) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (43.0189383,4.87150946);(53.03967374,2.266607317);(55.0553238,5.7505631);(57.07097387,2.413020347);(69.07097387,3.054857706);(71.08662393,2.321867611);(83.08662393,2.376644329);(85.102274,1.839113696);(95.08662393,1.974710602);(97.06588849,2.963500383);(99.08153855,2.348070699);(109.102274,2.04909149);(111.0815386,3.184376661);(111.1179241,3.460890475);(113.0971886,6.028287063);(121.102274,2.106443711);(123.0815386,1.975455179);(123.1179241,3.767984641);(125.1335741,4.028654404);(127.1492242,3.322406918);(137.1335741,2.522624333);(139.1128387,8.602740636);(155.1441388,8.198091242) | |
| 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