Cannabidiol
- Formula: C21H30O2
- Molecular weight: 314.4617
- IUPAC Standard InChI: InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1
- IUPAC Standard InChIKey: QHMBSVQNZZTUGM-MSOLQXFVSA-N
- CAS Registry Number: 521-37-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-; δ1(2)-trans-Cannabidiol; (-)-trans-Cannabidiol; (-)-Cannabidiol; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)-; 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-3-cyclohexen-1-yl]-5-pentyl-; 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol-, (1R-trans)-; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-; CBD
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Drug Lab |
| NIST MS number | 379530 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2441.3 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 180. | 2392. | Gizella, Szabolcs, et al., 1995 | N2, Chromosorb WHP; Column length: 2.6 m |
| Packed | SE-30 | 200. | 2366. | Lebbe, Lafarge, et al., 1972 | Nitrogen, Chromosorb (80-100 mesh); Column length: 1.2 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 2365. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 5. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
| Packed | SE-30 | 2385. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 5. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 2383. | Schutz and Wollrab A., 1988 | Program: not specified |
| Other | Methyl Silicone | 2383. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Gizella, Szabolcs, et al., 1995
Gizella, P.; Szabolcs, N.; Peep, V.; György, O.P.T.,
Kannabinoidok gázkromatográfiás vizsgálata tandem oszlopokon,
Acta Pharm. Hung., 1995, 65, 63-67. [all data]
Lebbe, Lafarge, et al., 1972
Lebbe, J.; Lafarge, J.-P.; Laplace, M.,
Utilization of gas chromatography in toxicological investigations. I. Characterization of Cannabis sativa,
Annales des falsifications et de l'expertise chimique, 1972, 65, 705, 410-417. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [all data]
Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A.,
The significance of the retention index in toxicologic analysis II,
Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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