Isoelemicin
- Formula: C12H16O3
- Molecular weight: 208.2536
- IUPAC Standard InChIKey: RRXOQHQFJOQLQR-AATRIKPKSA-N
- CAS Registry Number: 487-12-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: Benzene, 5(1-propenyl)-1,2,3-trimethoxy; (E)-Isoelemicin; trans-Isoelemicin; Isoelemicine; (E)-isoelemicine; trans-Isoelemicine
- Information on this page:
- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 | HP-5 | SE-54 | HP-5 |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | Helium | Nitrogen | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Tstart (C) | 60. | 50. | 60. | 60. | 60. |
Tend (C) | 230. | 280. | 250. | 260. | 250. |
Heat rate (K/min) | 3. | 5. | 3. | 2. | 5. |
Initial hold (min) | 1. | 5. | 30. | ||
Final hold (min) | 1. | ||||
I | 1577. | 1646. | 1657. | 1644. | 1650. |
Reference | Pripdeevech and Saansoomchai, 2013 | Bousaada, Ammar, et al., 2008 | Bertrand, Comte, et al., 2006 | Kilic, Hafizoglu, et al., 2004 | Yassa, Akhani, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | RSL-200 |
Column length (m) | 30. |
Carrier gas | H2 |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 40. |
Tend (C) | 280. |
Heat rate (K/min) | 6. |
Initial hold (min) | 5. |
Final hold (min) | 5. |
I | 1596. |
Reference | Jirovetz, Buchbauer, et al., 2002 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005
. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237
. [all data]
Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M.,
Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry,
J. Chromatogr. A, 2002, 976, 1-2, 265-275, https://doi.org/10.1016/S0021-9673(02)00376-X
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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