trans-Calamenene
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChI: InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
- IUPAC Standard InChIKey: PGTJIOWQJWHTJJ-OLZOCXBDSA-N
- CAS Registry Number: 73209-42-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: (1R,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene; (E)-Calamenene; calamenene trans; T-Calamenene
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | BPX-5 | 5 % Phenyl methyl siloxane | SE-52 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.52 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.15 |
| Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| I | 1527.4 | 1523. | 1529. | 1528. |
| Reference | Andriamaharavo, 2014 | Cardeal, da Silva, et al., 2006 | Sacchetti, Maietti, et al., 2005 | Sacchetti, Medici, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R.,
Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils,
J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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