3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-


Mass spectrum (electron ionization)

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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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on behalf of the United States of America. All rights reserved.
NIST MS number 5065

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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

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Column type Active phase I Reference Comment
CapillaryDB-51147.Baranauskiene, Venskutonis, et al., 200350. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min
CapillaryMethyl Silicone1134.Adegoke, Rao, et al., 199830. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51137.Sibanda, Chigwada, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryAT-51135.Khouri, Usubillaga, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60 C 4K/min -> 200 C 10 K/min -> 280 C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1134.Saroglou, Marin, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51120.Dob, Dahmane, et al., 200630. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min
CapillaryHP-5MS1133.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51134.Su, Ho, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryHP-51138.Mahattanatawee, Goodner, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryHP-5MS1131.Chorianopoulos, Kalpoutzakis, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51136.Javidnia, Miri, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryHP-5MS1134.Karioti, Hadjipavlou-Litina, et al., 200430. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryOptima 51137.Vérité, Nacer, et al., 200425. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C
CapillaryDB-5MS1140.Yu, Kim, et al., 200430. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min, 200. C @ 20. min
CapillarySPB-11120.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 μm, 35. C @ 10. min, 4. K/min; Tend: 225. C
CapillaryHP-51139.Fokialakis, Melliou, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51130.Karioti, Skaltsa, et al., 200330. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51136.Aligiannis, Kalpoutzakis, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillarySPB-11120.Chisholm, Wilson, et al., 200115. m/0.25 mm/0.25 μm, 35. C @ 3. min, 6. K/min, 225. C @ 10. min
CapillaryHP-5MS1134.Giamakis, Kretsi, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. 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-5MS1141.4Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryBPX-51142.Dharmawan, Kasapis, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 200C => 30C/min => 300C (3min)
CapillaryBPX-51162.Elmore, Erbahadir, et al., 199750. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C
CapillaryBPX-51167.Elmore, Erbahadir, et al., 199750. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1562.Verzera, Campisi, et al., 200560. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryZB-Wax1571.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min
CapillarySupelcowax1589.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 μm, 35. C @ 5. min, 4. K/min, 225. C @ 10. min
CapillaryCP-Wax 52CB1562.Verzera, Campisi, et al., 200160. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1099.Sardashti, Valizadeh, et al., 201360. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 20. min
CapillaryHP-5 MS1136.Hammami, Kamoun, et al., 201130. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C
CapillaryDB-51141.de Souza, Lopes, et al., 201030. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C
CapillaryDB-51134.Shafaghat and Sadeghi, 200950. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryDB-51141.de Souza, Lopes, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C
CapillaryDBP-51096.Sereshti and Samadi, 200725. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min
CapillaryHP-51140.Coronel, Cerda-Garcia-Rojas, et al., 200630. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryHP-5MS1134.Farah, Afifi, et al., 200630. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-5MS1127.Kim, Abd El-Aty, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min
CapillaryHP-51140.Shafi, Jose, et al., 200625. m/0.2 mm/0.33 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C
CapillaryHP-51142.Wang, Yang, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryDB-11130.Palá-Paúl, Pérez-Alonso, et al., 200550. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryDB-51133.Tellez, Khan, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryRTX-5Sil1146.Dudai, Larkov, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min, 200. C @ 10. min; Tstart: 70. C
CapillaryDB-11141.Norouzi-Arasi, Yavari, et al., 200230. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 4. K/min; Tend: 250. C
CapillaryCBP-11145.Ly, Yamauchi, et al., 200125. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; Tend: 210. C
CapillaryOV-1011133.Zenkevich, Kosman, et al., 1999He, 6. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51136.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51139.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-5MS1138.Cole, Haber, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryHP-5MS1139.Singh, Marimuthu, et al., 200430. m/0.25 mm/0.25 μm; Program: 60C(1min) => 1.5C/min => 185C(1min) => 9C/min => 275C(2min)
CapillarySE-301147.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxanes1147.Zenkevich, 1997Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB1586.Chen, Chyau, et al., 200760. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryCP Wax 52 CB1586.Chen, Chyau, et al., 200760. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryCP-Wax 52CB1565.Chyau, Tsai, et al., 200760. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-Wax Etr1582.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
CapillaryDB-Wax1621.Lee, Umano, et al., 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax1628.Jiang and Kubota, 2004He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax1628.Jiang and Kubota, 2004He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryCarbowax 20M1576.Kasali, Oyedeji, et al., 200130. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 215. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1562.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M1576.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M1576.Vinogradov, 2004Program: 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.

Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R., Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma, J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b . [all data]

Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B., A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb, Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O . [all data]

Sibanda, Chigwada, et al., 2004
Sibanda, S.; Chigwada, G.; Poole, M.; Gwebu, E.T.; Noletto, J.A.; Schmidt, J.M.; Rea, A.I.; Setzer, W.N., Composition and bioactivity of the leaf essential oil of Heteropyxis dehniae from Zimbabwe, J. Ethnopharmacol., 2004, 92, 1, 107-111, https://doi.org/10.1016/j.jep.2004.02.010 . [all data]

Khouri, Usubillaga, et al., 2000
Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F., The essential oil of Espeletia weddellii Sch. Bip. ex Wedd., Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q . [all data]

Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H., Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia, Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009 . [all data]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C., Essential oil composition of Juniperus oxycedrus growing in Algeria, Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [all data]

Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]

Chorianopoulos, Kalpoutzakis, et al., 2004
Chorianopoulos, N.; Kalpoutzakis, E.; Aligiannis, N.; Mitaku, S.; Nychas, G.-J.; Haroutounian, S.A., Essential oils of Satureja, Origanum, and Thymus species: chemical composition and antibacterial activities against foodborne pathogens, J. Agric. Food Chem., 2004, 52, 26, 8261-8267, https://doi.org/10.1021/jf049113i . [all data]

Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Jafari, A.; Rezai, H., Analysis of the volatile constituents of Nepeta macrosiphon Boiss. grown in Iran, Flavour Fragr. J., 2004, 19, 2, 156-158, https://doi.org/10.1002/ffj.1287 . [all data]

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Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

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Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 1, 74-79, https://doi.org/10.1002/ffj.1314 . [all data]

Chisholm, Wilson, et al., 2003
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Fokialakis, N.; Melliou, E.; Magiatis, P.; Harvala, C.; Mitaku, S., Composition of the steam volatiles of six Euphorbia spp. from Greece, Flavour Fragr. J., 2003, 18, 1, 39-42, https://doi.org/10.1002/ffj.1148 . [all data]

Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B., Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture, J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k . [all data]

Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Mitaku, S.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of two Origanum species, J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m . [all data]

Chisholm, Wilson, et al., 2001
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.; Jell, J.A.; Cass, D.M., Jr., Chapter 9. The identification of aroma compounds in key lime oil using solid-phase microextraction and gas chromatography-olfactometry, Am. Chem. Soc. Symp. Ser., 2001, 782, 100-112. [all data]

Giamakis, Kretsi, et al., 2001
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Dharmawan, Kasapis, et al., 2007
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Hammami, Kamoun, et al., 2011
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de Souza, Lopes, et al., 2010
de Souza, A.; Lopes, E.M.C.; da Silva, M.C.; Cordeiro, I.; Young, M.C.M.; Sobral, M.E.G.; Moreno, P.R.H., Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrciolides (Cambess.) O. Berg and Eugenia riedelliana O. Berg, Myrtaceae, Braz. J. Pharmacognosy, 2010, 20, 2, 175-179. [all data]

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Shafaghat, A.; Sadeghi, H., Composition and antibacterial activity of essentia; oils from leaf, stem and root of Chrysanthemum parthenium (L.) Bernh. from Iran, Electronic J. of Environ., Agriculture and Food Chem. (EJEAFChe), 2009, 8, 9, 766-771. [all data]

de Souza, Lopes, et al., 2009
de Souza, A.; Lopes, E.M.C.; da Silva, M.C.; Cordeiro, I.; Young, M.C.M.; Sobral, M.E.G.; Moreno, P.R.H., Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrcioides (Chambess.) O. Berg and Eugenia riedeliana O. Berg, Myrtaceae, Braz. J. Pharmacognosy, 2009, 20, 2, 175-179. [all data]

Sereshti and Samadi, 2007
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Coronel, Cerda-Garcia-Rojas, et al., 2006
Coronel, A. del.C.; Cerda-Garcia-Rojas, C.M.; Joseph-Nathan, P.; Catalán, C.A.N., Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil of Lippia integrifolia, Flavour Fragr. J., 2006, 21, 5, 839-847, https://doi.org/10.1002/ffj.1736 . [all data]

Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A., Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils, Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651 . [all data]

Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H., Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis, J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060 . [all data]

Shafi, Jose, et al., 2006
Shafi, P.M.; Jose, B.; Radhamani, K.T.; Clery, R.A., Influence of pH on essential oil composition of Zanthoxylum rhetsa seeds obtained by steam distillation, Flavour Fragr. J., 2006, 21, 2, 317-318, https://doi.org/10.1002/ffj.1598 . [all data]

Wang, Yang, et al., 2006
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Editorial paper, 2005
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Notes

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