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2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-


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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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 108738

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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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS1631.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 «mu»m, H2, 2. K/min; Tstart: 40. 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-5MS1646.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryDB-5MS1632.Boulanger and Crouzet, 200130. m/0.25 mm/0.25 «mu»m, H2; Program: 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
CapillaryDB-5MS1629.Boulanger and Crouzet, 200130. m/0.25 mm/0.25 «mu»m, H2; Program: 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
CapillaryDB-51627.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51630.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-Wax2640.Ugliano, Bartowsky, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min
CapillaryDB-Wax2667.Aubert, Ambid, et al., 200330. m/0.32 mm/0.5 «mu»m, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2651.Wirth, Guo, et al., 200130. m/0.32 mm/0.5 «mu»m, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2629.Bureau, Baumes, et al., 200030. m/0.32 mm/0.5 «mu»m, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2629.Bureau, Razungles, et al., 200030. m/0.32 mm/0.5 «mu»m, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2608.Ollé, Baumes, et al., 199830. m/0.32 mm/0.5 «mu»m, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2608.Ollé, Baumes, et al., 199830. m/0.32 mm/0.5 «mu»m, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2625.Humpf and Schreier, 199130. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax2656.Krammer, Winterhalter, et al., 199130. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2626.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2637.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCarbowax 20M2643.Schwab, Mahr, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 40. C @ 3. min, 4. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax2658.Natali N., Chinnici F., et al., 200630. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 3C/min => 100C => 5C/min => 240C(10min)
CapillaryDB-Wax2651.Selli, Canbas, et al., 200630. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax2651.Selli, Canbas, et al., 2006, 230. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min)
CapillaryDB-Wax2651.Selli, Cabaroglu, et al., 200430. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryCarbowax 20M2651.Boido, Lloret, et al., 200325. m/0.32 mm/0.25 «mu»m, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C
CapillaryDB-Wax2615.Boulanger and Crouzet, 200130. m/0.25 mm/0.25 «mu»m, H2; Program: 60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)
CapillaryDB-Wax2623.Boulanger and Crouzet, 200130. m/0.25 mm/0.25 «mu»m, H2; Program: 60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1656.Jerkovic and Marijanovic, 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1660.Jerkovic, Tuberso, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillarySPB-51682.Kilic, Kollmannsberger, et al., 2005He, 5. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 100. C; Tend: 250. C
CapillaryHP-11611.Osorio, Duque, et al., 200325. m/0.2 mm/0.33 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryBPX-51668.D'Arcy, Rintoul, et al., 199750. m/0.22 mm/0.25 «mu»m, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min
CapillaryDB5-30W1645.Schwab and Schreier, 198830. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 60. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-51648.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryDB-51665.Osorio, Duque, et al., 2003Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB2627.Birtic, Ginies, et al., 200930. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax2650.Lee and Noble, 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
CapillaryDB-Wax2618.Parada and Duque, 199830. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2625.Parada and Duque, 199830. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax Etr2657.Loskos, Hernandez-Orte, et al., 200760. m/0.25 mm/0.5 «mu»m, He; Program: 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min)
CapillaryDB-Wax2639.Osorio, Duque, et al., 2003Program: not specified
CapillaryDB-Wax2677.Selli, Cabaroglu, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min)
CapillaryCP-Wax 52CB2637.López-Tamames, Carro-Mariño, et al., 199725. m/0.3 mm/1.2 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C
CapillaryCP-Wax 52 CB2637.Carro Marino, López Tamames, et al., 1995H2; Column length: 30. m; Column diameter: 0.32 mm; Program: 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C
CapillaryDB-Wax2644.Marlatt, Ho, et al., 199230. m/0.25 mm/0.25 «mu»m; 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.

Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J., Enzymatic hydrolysis of edible Passiflora fruit glycosides, Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J., Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds, Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5 . [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Ugliano, Bartowsky, et al., 2006
Ugliano, M.; Bartowsky, E.J.; McCarthy, J.; Moio, L.; Henschke, P.A., Hydrolysis and Transformation of Grape Glycosidically Bound Volatile Compounds during Fermentation with Three Saccharomyces Yeast Strains, J. Agric. Food Chem., 2006, 54, 17, 6322-6331, https://doi.org/10.1021/jf0607718 . [all data]

Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z., Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation, J. Agric. Food Chem., 2003, 51, 21, 6280-6286, https://doi.org/10.1021/jf034613h . [all data]

Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z., Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars, J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l . [all data]

Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J., Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah, J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x . [all data]

Bureau, Razungles, et al., 2000
Bureau, S.M.; Razungles, A.R.; Baumes, R.L., The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates, J. Sci. Food Agric., 2000, 80, 14, 2012-2020, https://doi.org/10.1002/1097-0010(200011)80:14<2012::AID-JSFA738>3.0.CO;2-X . [all data]

Ollé, Baumes, et al., 1998
Ollé, D.; Baumes, R.L.; Bayonove, C.L.; Lozano, Y.F.; Sznaper, C.; Brillouet, J.-M., Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 1998, 46, 3, 1094-1100, https://doi.org/10.1021/jf9705781 . [all data]

Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P., Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.), J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028 . [all data]

Krammer, Winterhalter, et al., 1991
Krammer, G.; Winterhalter, P.; Schwab, M.; Schreier, P., Glycosidically bound aroma compounds in the fruits of Prunus species: Apricot (P. armeniaca, L.) peach (P. persica, L.) yellow plum (P. domestica, L. ssp. Syriaca), J. Agric. Food Chem., 1991, 39, 4, 778-781, https://doi.org/10.1021/jf00004a032 . [all data]

Suárez, Duque, et al., 1991
Suárez, M.; Duque, C.; Wintoch, H.; Schreier, P., Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.), J. Agric. Food Chem., 1991, 39, 9, 1643-1645, https://doi.org/10.1021/jf00009a022 . [all data]

Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P., Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit, J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042 . [all data]

Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C., Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE), J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387 . [all data]

Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z., Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment, Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019 . [all data]

Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z., Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince, Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005 . [all data]

Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z., Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia, Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008 . [all data]

Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E., Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay, J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i . [all data]

Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z., Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay), Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744 . [all data]

Jerkovic, Tuberso, et al., 2010
Jerkovic, I.; Tuberso, C.I.G.; Gugic, M.; Bubalo, D., Composition of Sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds, Molecules, 2010, 15, 9, 6375-6385, https://doi.org/10.3390/molecules15096375 . [all data]

Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S., Glycosidically bound volatiles and flavor precursors in Laurus nobilis L., J. Agric. Food Chem., 2005, 53, 6, 2231-2235, https://doi.org/10.1021/jf040373+ . [all data]

Osorio, Duque, et al., 2003
Osorio, C.; Duque, C.; Batista-Viera, F., Studies on aroma generation in lulo (Solanum quitoense): enzymatic hydrolysis of glycosides from leaves, Food Chem., 2003, 81, 3, 333-340, https://doi.org/10.1016/S0308-8146(02)00427-2 . [all data]

D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J., Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys, J. Agric. Food Chem., 1997, 45, 5, 1834-1843, https://doi.org/10.1021/jf960625+ . [all data]

Schwab and Schreier, 1988
Schwab, W.; Schreier, P., Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors, J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028 . [all data]

de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M., Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage, J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h . [all data]

Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D., Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines, J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062 . [all data]

Lee and Noble, 2003
Lee, S.-J.; Noble, A.C., Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry, J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v . [all data]

Parada and Duque, 1998
Parada, F.; Duque, C., Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors, J. Hi. Res. Chromatogr., 1998, 21, 10, 577-581, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<577::AID-JHRC577>3.0.CO;2-V . [all data]

Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions, J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343 . [all data]

Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A., Flavour components of orange wine made from a Turkish cv. Kozan, Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x . [all data]

López-Tamames, Carro-Mariño, et al., 1997
López-Tamames, E.; Carro-Mariño, N.; Gunata, Y.Z.; Sapis, C.; Baumes, R.; Bayonove, C., Potential aroma in several varieties of Spanish grapes, J. Agric. Food Chem., 1997, 45, 5, 1729-1735, https://doi.org/10.1021/jf960572w . [all data]

Carro Marino, López Tamames, et al., 1995
Carro Marino, N.; López Tamames, E.; García Jares, C.M., Contribution to the study of the aromatic potential of three muscat Vitis vinifera varieties: identification of new compounds, Food Sci. Technol. Int., 1995, 1, 2-3, 105-116, https://doi.org/10.1177/108201329500100206 . [all data]

Marlatt, Ho, et al., 1992
Marlatt, C.; Ho, C.-T.; Chien, M., Studies of aroma constituents bound as glycosides in tomato, J. Agric. Food Chem., 1992, 40, 2, 249-252, https://doi.org/10.1021/jf00014a016 . [all data]


Notes

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