Bicyclo[2.2.1]hept-2-ene, 2,3-dimethyl-
- Formula: C9H14
- Molecular weight: 122.2075
- IUPAC Standard InChIKey: LSIXBBPOJBJQHN-UHFFFAOYSA-N
- CAS Registry Number: 529-16-8
- 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: 2-Norbornene, 2,3-dimethyl-; Santen; Santene; 2,3-Dimethylbicyclo[2.2.1]hept-2-ene
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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 | NIST Mass Spectrometry Data Center |
NIST MS number | 413118 |
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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 880. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Capillary | DB-5MS | 887. | Mardarowicz, Wianowska, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | HP-5 | 887. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
Capillary | HP-5 | 890. | Macchioni, Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 885.3 | 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) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-20 | 984. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 876. | Baran, von Reuss, et al., 2007 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
Capillary | DB-5MS | 863. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
Capillary | DB-5 | 884. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 3. K/min, 280. C @ 15. min |
Capillary | OV-101 | 877. | Orav, Kailas, et al., 1996 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 880. | Orav, Kuningas, et al., 1995 | 50. m/0.2 mm/0.5 μm, He, 1. K/min; Tstart: 70. C; Tend: 180. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 889. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Capillary | SE-30 | 883. | Vinogradov, 2004 | Program: not specified |
Capillary | Methyl Silicone | 883. | Zenkevich, 1996 | Program: not specified |
Capillary | Methyl Silicone | 883. | Zenkevich, 1995 | Program: not specified |
Capillary | DB-5 | 891. | Garneau, Bouhajib, et al., 1994 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-FFAP | 997. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
Capillary | PEG-20M | 991. | Orav, Kailas, et al., 1996 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 250. C |
Capillary | PEG-20M | 1000. | Orav, Kuningas, et al., 1995 | 60. m/0.32 mm/0.25 μm, He, 70. C @ 7. min, 2. K/min; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1018. | Vinogradov, 2004 | 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.
Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796
. [all data]
Mardarowicz, Wianowska, et al., 2004
Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R.,
The influence of sample treatment on SPME extracts from conifers. I. Comparison of terpene composition in Engelmann Spruce (Picea engelmanii) using hydrodistillation, SPME and PLE,
Annales Universitatis Mariae Curie-Sklodowska Lublin - Polonia, 2004, 59, 3, 25-42. [all data]
Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K.,
HS-SPME analysis of volatile organic compounds of coniferous needle litter,
Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005
. [all data]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Krauze-Baranowska, Mardarowicz, et al., 2002
Krauze-Baranowska, M.; Mardarowicz, M.; Wiwart, M.; Poblocka, L.; Dynowska, M.,
Antifungal activity of the essential oils from some species of the genus Pinus,
Z. Naturforsch., 2002, 57c, 478-482. [all data]
Orav, Kailas, et al., 1996
Orav, A.; Kailas, T.; Liiv, M.,
Analysis of terpenoic composition of conifer needle oils by steam distillation/extraction, gas chromatography and gas chromatography-mass spectrometry,
Chromatographia, 1996, 43, 3/4, 215-219, https://doi.org/10.1007/BF02292955
. [all data]
Orav, Kuningas, et al., 1995
Orav, A.; Kuningas, K.; Kailas, T.,
Computerized capillary gas chromatographic identification and determination of Siberian fir oil constituents,
J. Chromatogr. A, 1995, 697, 1-2, 495-499, https://doi.org/10.1016/0021-9673(94)01059-N
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
Zenkevich, 1995
Zenkevich, I.G.,
Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic Compounds,
Z. Anal. Chem., 1995, 50, 10, 1048-1056. [all data]
Garneau, Bouhajib, et al., 1994
Garneau, F.X.; Bouhajib, M.; Collin, G.J.; Gagnon, M.; ApSimon, J.W.,
The glycosidically bound volatile compounds of Picea mariana (Mill.) B.S.P.,
J. Essent. Oil Res., 1994, 6, 1, 43-46, https://doi.org/10.1080/10412905.1994.9698323
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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