1H-Cyclopropa[a]naphthalene, 1a,2,3,3a,4,5,6,7b-octahydro-1,1,3a,7-tetramethyl-, [1aR-(1aα,3aα,7bα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: UPGLJTCDRBIZKP-UHFFFAOYSA-N
- CAS Registry Number: 489-29-2
- 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. - Other names: 1H-Cyclopropa[a]naphthalene, 1aα,2,3,3a,4,5,6,7bα-octahydro-1,1,3aα,7-tetramethyl-; (1aR,3aS,7bS)-1,1,3a,7-Tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene; β-Maaliene; 1,1,3a,7-Tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
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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. |
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NIST MS number | 9244 |
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
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1381. | Lucero, Fredrickson, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1413.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | BPX-5 | 1398. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1411. | Taherpour, Maroofi, et al., 2011 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 3. min, 6. K/min, 210. C @ 2. min |
Capillary | HP-5 | 1422. | Cavar, Maksimovic, et al., 2010 | 30. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1380. | Havlik, Kokoska, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C |
Capillary | CP-Sil 5 CB | 1416. | Olawore, Usman, et al., 2006 | 25. m/0.25 mm/0.15 μm, Hydrogen, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | HP-5MS | 1372. | Gauvin and Smadja, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 30. min, 4. K/min; Tend: 200. C |
Capillary | CP Sil 5 CB | 1413. | Ogunwande, Olawore, et al., 2005 | 25. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | CP Sil 8 CB | 1418. | Jantan and Goh, 1990 | 60. C @ 10. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1417. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
Capillary | Optima-5MS | 1369. | HEuskin, Godin, et al., 2009 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min) |
Capillary | DB-1 | 1375. | Bezerra, Andrade-Neto, et al., 2002 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polyethylene Glycol | 1671. | Vernin, Metzger, et al., 1990 | 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.
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
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]
Taherpour, Maroofi, et al., 2011
Taherpour, A.; Maroofi, H.; Changizi, M.; Shoushtari, R.V.; Larijani, K.; Kazempour, A.,
Chemical compositions of the essential oil and calculation the biophysicochemical coefficients of the components of Hymenocrater longiflorus Benth. of Iran,
Natural Sci., 2011, 3, 2, 104-108, https://doi.org/10.4236/ns.2011.32015
. [all data]
Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E.,
Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]
Havlik, Kokoska, et al., 2006
Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
Flavour Fragr. J., 2006, 21, 4, 713-717, https://doi.org/10.1002/ffj.1713
. [all data]
Olawore, Usman, et al., 2006
Olawore, N.O.; Usman, L.A.; Ogunwande, I.A.; Adeleke, K.A.,
Constituents of rhizome essential oils of two types of Cyperus articulatus L. grown in Nigeria,
J. Essent Oil Res., 2006, 18, 6, 604-606, https://doi.org/10.1080/10412905.2006.9699179
. [all data]
Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013
. [all data]
Ogunwande, Olawore, et al., 2005
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.,
Volatile constituents from the leaves of Eucalyptus cloeziana F. Muell and E. propinqua Deane Maiden from Nigeria,
Flavour Fragr. J., 2005, 20, 6, 637-639, https://doi.org/10.1002/ffj.1516
. [all data]
Jantan and Goh, 1990
Jantan, I.; Goh, S.H.,
The essential oils of Cinnamomum mollissimum as natural sources of safrole and benzyl benzoate,
J. Tropical Forest Sci., 1990, 2, 3, 252-259. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G.,
Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae),
J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109
. [all data]
Bezerra, Andrade-Neto, et al., 2002
Bezerra, M.Z.B.; Andrade-Neto, M.; de Freitas, R.M.,
The essential oil of Porophyllum ruderale Cass (Asteraceae),
J. Essent. Oil Res., 2002, 14, 1, 14-15, https://doi.org/10.1080/10412905.2002.9699746
. [all data]
Vernin, Metzger, et al., 1990
Vernin, G.; Metzger, J.; Suon, K.-N.; Fraisse, D.; Ghiglione, C.; Hamoud, A.; Parkanyi, C/,
GC-MS-SPECMA bank analysis of essential oils and aromas. GC-MS (EI-PCI) data bank analysis of sesquiterpenic compounds in Juniper needle oil - application of the mass fragmentometry SIM technique,
Lebensm.-Wiss. u.-Technol., 1990, 23, 25-33. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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