(+)-4-Carene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: LGNSZMLHOYDATP-UHFFFAOYSA-N
- CAS Registry Number: 29050-33-7
- 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. - Stereoisomers:
- Other names: 4-Carene; δ-Carene
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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 | Philip Morris R&D |
NIST MS number | 109273 |
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 | 1004. | de Feo, Porta, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Equity-5 | 1030. | Rocha, Coelho, et al., 2007 | 60. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min |
Capillary | DB-5 | 1014. | Silva, Barbosa, et al., 2007 | 30. m/0.22 mm/0.25 μm, He, 55. C @ 2. min, 3. K/min, 240. C @ 15. min |
Capillary | HP-5 | 1022. | Liu J.M., Nan P., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
Capillary | HP-5MS | 1009. | Vujisic L., Vuckovic I., et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C |
Capillary | Optima 5 | 1008. | Vérité, Nacer, et al., 2004 | 25. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C |
Capillary | Methyl Silicone | 998. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-5 | 1001. | Le Quere and Latrasse, 1990 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1149. | Rega, Fournier, et al., 2004 | 30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min; Tend: 240. C |
Capillary | DB-Wax | 1149. | Rega, Fournier, et al., 2003 | 30. m/0.32 mm/0.5 μm, 35. C @ 5. min, 5. K/min, 240. C @ 5. min |
Capillary | Carbowax 20M | 1144. | Píry, Príbela, et al., 1995 | 50. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min |
Capillary | DB-Wax | 1128. | Le Quere and Latrasse, 1990 | 30. m/0.32 mm/0.5 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1017. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
Capillary | DB-5 | 996. | Amiri, 2007 | 50. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min, 220. C @ 5. min |
Capillary | HP-5 | 1022. | Wang, Yang, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
Capillary | DB-5 | 1002.5 | Gawdzik, Mardarowicz, et al., 1996 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 4. K/min, 300. C @ 5. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1002. | Bai, Liu, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) |
Capillary | DB-5 | 1001. | Nezhadali and Parsa, 2010 | 30. m/0.20 mm/0.32 μm, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) |
Capillary | DB-1 | 1022. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | OV-1 | 998. | Yu, Li, et al., 2009 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 130 0C (5 min) 10 0C/min -> 230 0C (15 min) |
Capillary | HP-5MS | 1018. | Chokeprasert P., Charles A.L., et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min) |
Capillary | OV-1 | 998. | Hafez and Abdel-Salam, 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
Capillary | SE-30 | 987. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-5 | 1011. | Viana, Andrade-Neto, et al., 2002 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C |
Capillary | Methyl Silicone | 987. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelco CO Wax-10 | 1157. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
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.
de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Composition of the essential oil of Tagetes filifolia Lag.,
Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q
. [all data]
Rocha, Coelho, et al., 2007
Rocha, S.M.; Coelho, E.; Zrostlikova, J.; Delgadillo, I.; Coimbra b, M.A.,
Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability,
J. Chromatogr. A, 2007, 1161, 1-2, 292-299, https://doi.org/10.1016/j.chroma.2007.05.093
. [all data]
Silva, Barbosa, et al., 2007
Silva, C.J.; Barbosa, L.C.A.; Maltha, C.R.A.; Pinheiro, A.L.; Ismail, F.M.D.,
Comparative study of the essential oils of seven Melaleuca (Myrtaceae) species grown in Brazil,
Flavour Fragr. J., 2007, 22, 6, 474-478, https://doi.org/10.1002/ffj.1823
. [all data]
Liu J.M., Nan P., et al., 2006
Liu J.M.; Nan P.; Tsering Q.; Tsering T.; Bai Z.K.; Wang L.; Liu Z.J.; Zhong Y.,
Volatile constituents of the leaves and flowers of Salvia przewalskii Maxim. from Tibet,
Flavour Fragr. J., 2006, 21, 3, 435-438, https://doi.org/10.1002/ffj.1607
. [all data]
Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S.,
Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia,
Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681
. [all data]
Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E.,
Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz,
Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A.,
Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.),
J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001
. [all data]
Rega, Fournier, et al., 2004
Rega, B.; Fournier, N.; Nicklaus, S.; Guichard, E.,
Role of pulp in flavor release and sensory perception in orange juice,
J. Agric. Food Chem., 2004, 52, 13, 4204-4212, https://doi.org/10.1021/jf035361n
. [all data]
Rega, Fournier, et al., 2003
Rega, B.; Fournier, N.; Guichard, E.,
Solid phase microextraction (SPME) of orange juice flavor: odor representativeness by direct gas chromatography olfactometry (D-GC-O),
J. Agric. Food Chem., 2003, 51, 24, 7092-7099, https://doi.org/10.1021/jf034384z
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Amiri, 2007
Amiri, H.,
Quantative and qualative changes of essential oil of Salvia bracteata BAnk et Sol. in different growth stages,
DARU, 2007, 15, 2, 79-82. [all data]
Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y.,
Chemical variation in the essential oil of Ephedra sinica from Northeastern China,
Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033
. [all data]
Gawdzik, Mardarowicz, et al., 1996
Gawdzik, J.; Mardarowicz, M.; Suprynowicz, Z.; Kawka, S.; Wolski, T.,
Supercritical fluid extraction of essential oils from the fruits of Archangelica off. Hoffm. and their characterization by GC/MS,
J. Hi. Res. Chromatogr., 1996, 19, 4, 237-240, https://doi.org/10.1002/jhrc.1240190416
. [all data]
Bai, Liu, et al., 2011
Bai, C.Q.; Liu, Z.L.; Liu, Q.Z.,
Nematicidal constituents from the essential oil of Chenopodium ambrosioides aerial parts,
E-Journal of Chemistry, 2011, 8, S1, s143-s148, https://doi.org/10.1155/2011/470862
. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [all data]
Yu, Li, et al., 2009
Yu, L.-F.; Li, X.-R.; Liu, S.-Y.; Xu, G.-W.; Liang, Y.-Z.,
Comparative analysis of essential components between the herbal pair Radix Saposhnikoviae-Rhizoma seu Radix Notopterygii and its single herbs by GC-MS combined with a chemometric resolution method,
Anal. Methods, 2009, 1, 1, 45-51, https://doi.org/10.1039/b9ay00044e
. [all data]
Chokeprasert P., Charles A.L., et al., 2007
Chokeprasert P.; Charles A.L.; Sue K.H.; Huang T.C.,
Volatile components of the leaves, fruits and seeds of wampee [Clausena lansium (Lour.) Skeels],
J. Food Comp. Anal., 2007, 20, 1, 52-56, https://doi.org/10.1016/j.jfca.2006.07.002
. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Viana, Andrade-Neto, et al., 2002
Viana, F.A.; Andrade-Neto, M.; Pouliquen, Y.B.M.; Lucien, V.G.,
Chemical composition of the essential oil from roots of Philodendron acutatum Schott.,
J. Essent. Oil Res., 2002, 14, 3, 172-174, https://doi.org/10.1080/10412905.2002.9699814
. [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]
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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