cis-ligustilide
- Formula: C12H14O2
- Molecular weight: 190.2384
- IUPAC Standard InChI: InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
- IUPAC Standard InChIKey: IQVQXVFMNOFTMU-FLIBITNWSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Ligustilide; Butylidene 4,5-dihydro-phthalide; Ligustilide, (Z)-; 3-butylidene-4,5-dihydrophthalide
- Information on this page:
- Other data available:
- Options:
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 |
|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | HP-5MS | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 50. |
| Tend (C) | 280. | 280. | 280. | 280. |
| Heat rate (K/min) | 5. | 9. | 5. | 5. |
| Initial hold (min) | 4. | 3. | 4. | 4. |
| Final hold (min) | 10. | 3. | 10. | 10. |
| I | 1758. | 1680. | 1739. | 1740. |
| Reference | Cho, Abd El-Aty, et al., 2007 | Abdelwahed, Hayder, et al., 2006 | Kim, Abd El-Aty, et al., 2006 | Kim, El-Aty, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Cho, Abd El-Aty, et al., 2007
Cho, S.-K.; Abd El-Aty, A.M.; Choi, J.-H.; Kim, M.R.; Shim, J.H.,
Optimized conditions for the extraction of secondary volatile metabolites in Angelica roots by accelerated solvent extraction,
J. Pharm. Biomed. Anal., 2007, 44, 5, 1154-1158, https://doi.org/10.1016/j.jpba.2007.03.011
. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
. [all data]
Kim, El-Aty, et al., 2006
Kim, M.R.; El-Aty, A.M.A.; Choi, J.-H.; Lee, K.B.; Shim, J.H.,
Identification of volatile components in Angelica species using supercritical-CO2 fluid extraction and solid phase microextraction coupled to gas chromatography-mass spectrometry,
Biomedical Chromatography, 2006, 20, 11, 1267-1273, https://doi.org/10.1002/bmc.696
. [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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