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2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-


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

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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 TNO Volatile Compounds in Food - Chemical Concepts
NIST MS number 249631

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51123.Lucero, Fredrickson, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C
CapillaryHP-5MS1105.Tepe, Askin Akpulat, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryDB-51123.Adams, Morris, et al., 200530. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51128.Merle, Morón, et al., 200425. m/0.25 mm/0.25 «mu»m, He, 60. C @ 6. min, 5. K/min, 180. C @ 15. min
CapillaryOV-1011111.Padrayuttawat, Tamura, et al., 199650. m/0.25 mm/0.2 «mu»m, N2, 2. K/min, 200. C @ 60. min; Tstart: 80. C

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1672.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-11103.Paolini J., Costa J., et al., 200760. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-11098.Bousmaha, Boti, et al., 200650. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-51123.Javidnia, Miri, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryHP-51126.Ceccarini, Macchia, et al., 200430. m/0.25 mm/0.25 «mu»m, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-51122.Flamini, Cioni, et al., 200430. m/0.25 mm/0.25 «mu»m, N2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51132.Högnadóttir and Rouseff, 200330. m/0.32 mm/0.5 «mu»m, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryOV-1011110.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011111.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1121.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryBPX-51138.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1622.Paolini J., Costa J., et al., 200760. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-201618.Bousmaha, Boti, et al., 200650. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1670.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1640.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1641.Choi and Sawamura, 200060. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1108.Hnawia, Cabalion, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryBP-11102.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51120.Javidnia, Miri, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryCP Sil 5 CB1107.Lis and Milczarek, 200630. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryRTX-11105.Cavalli, Tomi, et al., 200460. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryHP-51142.Gallori, Flamini, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryOV-1011110.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011111.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillarySE-541117.Kollmannsberger, Nitz, et al., 199230. m/0.25 mm/0.25 «mu»m, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min
CapillarySE-301111.Peacock and Kuneman, 1985N2, 45. C @ 1. min, 4. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1128.Bai, Liu, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
CapillaryHP-5MS1135.Ning, Zheng, et al., 200830. m/0.25 mm/0.25 «mu»m, He; Program: 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C
CapillaryCP Sil 8 CB1123.Radusiene, Judzentiene, et al., 200750. m/0.32 mm/0.25 «mu»m, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min)
CapillaryHP-5 MS1115.Schmidt, Noletto, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillaryDB-51123.Hamm, Bleton, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C
CapillaryCP Sil 5 CB1108.Weyerstahl, Marschall, et al., 1999Column length: 25. m; Column diameter: 0.39 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201619.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1640.Njoroge, Koaze, et al., 2005, 260. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1670.Njoroge, Koaze, et al., 2005, 360. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryRTX-Wax1617.Cavalli, Tomi, et al., 200460. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryDB-Wax1688.Sawamura, Son, et al., 200460. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1688.Sawamura, Sou, et al., 200460. m/0.25 mm/0.25 «mu»m, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C
CapillaryDB-Wax1637.Tu, Thanh, et al., 200260. m/0.25 mm/0.25 «mu»m, N2, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryDB-Wax1664.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax1670.Umano, Nakahara, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryHP-Innowax FSC1681.Baser, Kirimer, et al., 1997He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCarbowax 20M1624.Kollmannsberger, Nitz, et al., 199245. m/0.32 mm/1.0 «mu»m, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax FSC1639.Demirci, Demirci, et al., 200560. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1639.Tabanca, Demirci, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1639.Viljoen, Subramoney, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1639.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1639.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1639.Kaya, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1678.Piasenzotto, Gracco, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C
CapillaryInnowax FSC1639.Baser, Demirei, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax1678.Baser, Nuriddinov, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1639.Demirci, Baser, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryHP-Innowax1678.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
CapillaryHP-Innowax1639.Tabanca, Kirimer, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax1678.Baser, Özek, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryCP-Wax 52CB1611.Schieberle, Maier, et al., 1987He; Column length: 25. m; Column diameter: 0.32 mm; Program: 35 0C (2 min) 60 0C/min -> 60 0C (5 min) 4 0C/min -> 220 0C

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]

Tepe, Askin Akpulat, et al., 2006
Tepe, B.; Askin Akpulat, H.; Sokmen, M.; Daferera, D.; Yumrutas, O.; Aydin, E.; Polissiou, M.; Sokmen, A., Screening of the antioxidative and antimicrobial properties of the essential oils of Pimpinella anisetum and Pimpinella flabellifolia from Turkey, Food Chem., 2006, 97, 4, 719-724, https://doi.org/10.1016/j.foodchem.2005.05.045 . [all data]

Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E., Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean, Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001 . [all data]

Merle, Morón, et al., 2004
Merle, H.; Morón, M.; Blázquez, A.; Boira, H., Taxonomical contribution of essential oils in mandarins cultivars, Biochem. Syst. Ecol., 2004, 32, 5, 491-497, https://doi.org/10.1016/j.bse.2003.09.010 . [all data]

Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M., A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi, J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613 . [all data]

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Bousmaha, Boti, et al., 2006
Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J., Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria, Flavour Fragr. J., 2006, 21, 2, 368-372, https://doi.org/10.1002/ffj.1659 . [all data]

Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N., Chemical composition of Ferula persica Wild. essential oil from Iran, Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496 . [all data]

Ceccarini, Macchia, et al., 2004
Ceccarini, L.; Macchia, M.; Flamini, G.; Cioni, P.L.; Caponi, C.; Morelli, I., Essential oil composition of Helianthus annuus L. leaves and heads of two cultivated hybride Carlos and Florom 350, Ind. Crops Prod., 2004, 19, 1, 13-17, https://doi.org/10.1016/S0926-6690(03)00076-1 . [all data]

Flamini, Cioni, et al., 2004
Flamini, G.; Cioni, P.L.; Morelli, I.; Maccioni, S.; Baldini, R., Phytochemical typologies in some populations of Myrtus communis L. on Caprione Promontory (East Liguria, Italy), Food Chem., 2004, 85, 4, 599-604, https://doi.org/10.1016/j.foodchem.2003.08.005 . [all data]

Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L., Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7 . [all data]

Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [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]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Hnawia, Cabalion, et al., 2007
Hnawia, E.; Cabalion, P.; Raunicher, I.; Waikedre, J.; Patissou, J.; Buchbauer, G.; Menut, C., The leaf essential oil of Murraya crenulata (Turcz.) Oliver from New Caledonia, Flavour Fragr. J., 2007, 22, 1, 32-34, https://doi.org/10.1002/ffj.1745 . [all data]

Boti, Muselli, et al., 2006
Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J., Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR, C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003 . [all data]

Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R., Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran, J. Ess. Oil Res., 2006, 18, 1, 86-87, https://doi.org/10.1080/10412905.2006.9699393 . [all data]

Lis and Milczarek, 2006
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Cavalli, Tomi, et al., 2004
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Ning, Zheng, et al., 2008
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Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V., Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations, Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928 . [all data]

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Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K., Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India, Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1 . [all data]

Njoroge, Koaze, et al., 2005, 2
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Notes

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