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Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«beta»)-


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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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.
NIST MS number 5285

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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
CapillaryBP-11174.Rajeswara Rao, 200225. m/0.5 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11174.Rao B.R.R., 200225. m/0.5 mm/0.25 «mu»m, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryHP-51182.Kitic, Palic, et al., 200125. m/0.32 mm/0.52 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySF-961182.Malingré and Maarse, 1974Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M130.1667.Malingré and Maarse, 1974Column length: 150. m; Column diameter: 0.75 mm

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

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Column type Active phase I Reference Comment
CapillarySE-541178.Simionatto, Porto, et al., 200525. m/0.25 mm/0.2 «mu»m, H2, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-5MS1221.Garland, Menary, et al., 200430. m/0.22 mm/0.25 «mu»m, N2, 60. C @ 1. min, 20. K/min, 290. C @ 10. min
CapillarySE-521155.Duru, Cakir, et al., 200225. m/0.32 mm/0.15 «mu»m, N2, 45. C @ 5. min, 3. K/min, 200. C @ 20. min
CapillarySPB-Sulfur1182.2de Lacy Costello, Evans, et al., 200130. m/0.32 mm/4. «mu»m, 40. C @ 12.5 min, 4. K/min; Tend: 200. C
CapillaryHP-51192.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 70. C; Tend: 230. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-521188.Guerrini, Sacchetti, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillarySE-521192.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 «mu»m, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1655.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 «mu»m, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1639.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11162.Mirjalili, Salehi, et al., 201025. m/0.25 mm/0.25 «mu»m, Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min
CapillaryHP-5 MS1177.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51197.Baranauskiene R., Bylaite E., et al., 200750. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min
CapillaryDB-51179.Yadegarinia, Gachkar, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 250. C
CapillaryDB-11182.Salehi, Sonboli, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryDB-5MS1182.paz Lima, Silva, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5MS1178.Cherchi, Deidda, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBP-11184.Gupta, Mallavarapu, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryOV-1011171.Orav and Kann, 2001He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C
CapillaryDB-51141.Reverchon, Porta, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryOV-1011178.De Pooter and Schamp, 198630. m/0.5 mm/0.8 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySiloxane, 5 % Ph1185.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1185.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryDB-11178.Delort and Jaquier, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
CapillaryDB-11154.Mendes, Trindade, et al., 200930. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillarySE-521183.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryDB-51182.Blank, Fontes, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 80 0C (1 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (3 min)
CapillarySE-301182.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxanes1176.Zenkevich, 1997Program: not specified
PackedOV-1011174.Swigar and Silverstein, 1981N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1653.Salehi, Sonboli, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 4. K/min, 250. C @ 10. min; Tstart: 40. C
CapillaryPEG-20M1660.Orav and Kann, 2001He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 220. C
CapillarySupelcowax-101684.Campeanu, Burcea, et al., 199860. m/0.32 mm/0.5 «mu»m, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min
CapillaryHP-Innowax FSC1678.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

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1667.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.

Rajeswara Rao, 2002
Rajeswara Rao, B.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Ind. Crops Prod., 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Rao B.R.R., 2002
Rao B.R.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Industrial Crops and Products, 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Kitic, Palic, et al., 2001
Kitic, D.; Palic, R.; Ristic, M.; Sojanovic, G.; Jovanovic, T., The volatile constituents of Calamintha sylvatica Bromf. subsp. sylvatica, Flavour Fragr. J., 2001, 16, 4, 257-258, https://doi.org/10.1002/ffj.995 . [all data]

Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H., Composition of the essential oil of Mentha aquatica, Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5 . [all data]

Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F., Composition and antimicrobial activity of the essential oil from Aloysia sellowii, J. Braz. Chem. Soc., 2005, 16, 6B, 1458-1462, https://doi.org/10.1590/S0103-50532005000800028 . [all data]

Garland, Menary, et al., 2004
Garland, S.M.; Menary, R.C.; Davies, N.W.; Oliver, G.S., Practical approaches to the analyses for pesticide residues in essential oils, A report for the Rural Industries Research and Development Corporation, RIRDC Publication No. 04/109, Rural Industries Research and Development Corporation, Barton, ACT, 2004. [all data]

Duru, Cakir, et al., 2002
Duru, M.E.; Cakir, A.; Harmandar, M., Composition of the volatile oils isolated from the leaves of Liquidambar orientalis Mill. var. orientalis and L. orientalis var. integriloba from Turkey, Flavour Fragr. J., 2002, 17, 2, 95-98, https://doi.org/10.1002/ffj.1050 . [all data]

de Lacy Costello, Evans, et al., 2001
de Lacy Costello, B.P.J.; Evans, P.; Ewen, R.J.; Gunson, H.E.; Jones, P.R.H.; Ratcliffe, N.M.; Spencer-Phillips, P.T.N., Gas chromatography-mass spectrometry analyses of volatile organic compounds from potato tubers inoculated with Phytophthora infestans or Fusarium coeruleum, Plant Pathol., 2001, 50, 4, 489-496, https://doi.org/10.1046/j.1365-3059.2001.00594.x . [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H., Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil, Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V . [all data]

Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R., Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity, J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493 . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029 . [all data]

Mirjalili, Salehi, et al., 2010
Mirjalili, M.H.; Salehi, P.; Sonboli, A.; HAdian, J.; Ebrahimi, S.N.; Yousefzadi, M., The composition and antibacterial activity of the essential oil of Levisticum officinale Koch flowers and fruits at different developmental stages, J. Serb. Chem. Soc., 2010, 75, 12, 1661-1669, https://doi.org/10.2298/JSC100524126M . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Baranauskiene R., Bylaite E., et al., 2007
Baranauskiene R.; Bylaite E.; Venskutonis R.P., Flavor retention of peppermint (Mentha piperita L.) essential oil spray-dried in modified starches during encapsulation and storage, J. Agric. Food Chem., 2007, 55, 8, 3027-3036, https://doi.org/10.1021/jf062508c . [all data]

Yadegarinia, Gachkar, et al., 2006
Yadegarinia, D.; Gachkar, L.; Rezaei, M.B.; Taghizadeh, M.; Astaneh, S.A.; Rasooli, I., Biochemical activities of Iranian Mentha piperita L. and Myrtus communis L. essential oils, Phytochemistry, 2006, 67, 12, 1249-1255, https://doi.org/10.1016/j.phytochem.2006.04.025 . [all data]

Salehi, Sonboli, et al., 2005
Salehi, P.; Sonboli, A.; Eftekhar, F.; Nejad-Ebrahimi, S.; Yousefzadi, M., Essential Oil Composition, Antibacterial and Antioxidant Activity of the Oil and Various Extracts of Ziziphora clinopodioides subsp. rigida (BOISS.) RECH. f. from Iran, Biol. Pharm. Bull., 2005, 28, 10, 1892-1896, https://doi.org/10.1248/bpb.28.1892 . [all data]

paz Lima, Silva, et al., 2004
paz Lima, M.; Silva, T.M.D.; da Silva, J.D.; Zoghbi, M.G.B.; Andrade, E.H.A., Essential oil composition of leaf and fine stem of Aniba canelilla (Kunth) Mez from Manaus, Brazil., Acta Amazonica, 2004, 34, 2, 329-330, https://doi.org/10.1590/S0044-59672004000200019 . [all data]

Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S., Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity, Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y . [all data]

Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S., Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens, Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002 . [all data]

Orav and Kann, 2001
Orav, A.; Kann, J., Determination of peppermint and orange aroma compounds in food and beverages, Proc. Est. Acad. Sci. Chem., 2001, 50, 4, 217-225. [all data]

Reverchon, Porta, et al., 1997
Reverchon, E.; Porta, G.D.; Gorgoglione, D., Supercritical CO2 extraction of volatile oil from rose concrete, Flavour Fragr. J., 1997, 12, 1, 37-41, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<37::AID-FFJ605>3.0.CO;2-V . [all data]

De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M., Comparison of the Volatile Composition of Some Calamintha/Satureja Species, Prog. Essnt. Oil. Res., 1986, 139-150. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G., Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens, Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006 . [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]

Blank, Fontes, et al., 2005
Blank, A.F.; Fontes, S.M.; Carvalho Filho, J.L.S.; Alves, P.B.; Silva-Mann, R.; Mendonça, M.C.; Arrigoni-Blank, M.F.; Rodrigues, M.O., Influence of harvest times and drying of leaves on the essential oil of Melissa officinalis L. cultivated in two environments, Rev. Bras. Pl. Med., Botucatu, 2005, 8, 1, 73-78. [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, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]

Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L., GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala, Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117 . [all data]

Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H., Composition of the essential oil of Micromeria dolichodontha P. H. Davis, Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A . [all data]


Notes

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References