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2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-


IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 W. KELLY UNILEVER RESEARCH COLWORTH/WELWYN, BEDFORD U.K.
NIST MS number 8502

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, IR Spectrum, 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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1653.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
CapillaryHP-5MS1645.Kim, Shin, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 200. C @ 20. min
CapillaryDB-51635.Bartley and Jacobs, 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 290. C @ 5. min
CapillaryDB-11648.Bartley and Foley, 199460. m/0.32 mm/0.5 «mu»m, 40. C @ 2. min, 4. K/min, 290. C @ 5. min
CapillaryOV-11596.Chen and Ho, 1987He, 1.5 K/min, 225. C @ 50. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51656.Klesk, Qian, et al., 200430. m/0.32 mm/1. «mu»m, He; Program: 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2790.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-Wax2826.Bartley and Jacobs, 200060. m/0.5 mm/0.32 «mu»m, He, 40. C @ 2. min, 4. K/min, 290. C @ 5. min
CapillaryDB-Wax2779.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
CapillaryCP-Wax 58CB2751.Pabst, Barron, et al., 199130. m/0.25 mm/0.22 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2786.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-Wax2786.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 20M2779.Boido, Lloret, et al., 200325. m/0.32 mm/0.25 «mu»m, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-11607.Fernandez, Pintaric, et al., 200650. m/0.2 mm/0.33 «mu»m, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C
CapillaryOV-1011625.Egolf and Jurs, 19932. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51649.Yang, Yang, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min)
CapillarySE-301625.Vinogradov, 2004Program: not specified
CapillaryDB-51640.Garneau, Bouhajib, et al., 1994Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-1011625.Shibamoto, 1987Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax Etr2829.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2829.Loscos, Hernandez-Orte, et al., 200960. m/0.25 mm/0.50 «mu»m, Helium; Program: 40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min)
CapillaryDB-Wax Etr2829.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)
CapillarySupelcowax2771.Garneau, Bouhajib, et al., 1994Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

References

Go To: Top, IR Spectrum, 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.

Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S., Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity, Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8 . [all data]

Kim, Shin, et al., 2001
Kim, T.H.; Shin, J.H.; Baek, H.H.; Lee, H.J., Volatile flavour compounds in suspension culture of Agastache rugosa Kuntze (Korean mint), J. Sci. Food Agric., 2001, 81, 6, 569-575, https://doi.org/10.1002/jsfa.845 . [all data]

Bartley and Jacobs, 2000
Bartley, J.P.; Jacobs, A.L., Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 2000, 80, 2, 209-215, https://doi.org/10.1002/(SICI)1097-0010(20000115)80:2<209::AID-JSFA516>3.0.CO;2-8 . [all data]

Bartley and Foley, 1994
Bartley, J.P.; Foley, P., Supercritical fluid extraction of Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 1994, 66, 3, 365-371, https://doi.org/10.1002/jsfa.2740660314 . [all data]

Chen and Ho, 1987
Chen, C.-C.; Ho, C.-T., Gas chromatographic analysis of thermal degradation products of gingerol compounds in steam-distilled oil from ginger (Zingiber officinale Roscoe), J. Chromatogr., 1987, 387, 499-504, https://doi.org/10.1016/S0021-9673(01)94559-5 . [all data]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [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]

Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P., Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp, J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034 . [all data]

Selli, Canbas, et al., 2006
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]

Fernandez, Pintaric, et al., 2006
Fernandez, X.; Pintaric, C.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Morello, A.; Pellerin, P., Chemical composition of absolute and supercritical carbon dioxide extract of Aframomum melegueta, Flavour Fragr. J., 2006, 21, 1, 162-165, https://doi.org/10.1002/ffj.1554 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Yang, Yang, et al., 2009
Yang, Z.; Yang, W.; Peng, Q.; He, Q.; Feng, Y.; Luo, S.; Yu, Z., Volatile phytochemical composition of rhisome of ginger after extraction by headspace solid-phase microextraction, petrol ether extraction and steam distillation extraction, Bangladesh J. Pharmacol., 2009, 4, 2, 136-143, https://doi.org/10.3329/bjp.v4i2.3232 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Garneau, Bouhajib, et al., 1994
Garneau, F.X.; Bouhajib, M.; Collin, G.J.; Gagnon, M.; ApSimon, J.W., The glycosidically bound volatile compounds of Picea mariana (Mill.) B.S.P., J. Essent. Oil Res., 1994, 6, 1, 43-46, https://doi.org/10.1080/10412905.1994.9698323 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J., Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes, J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020 . [all data]

Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Fate of grape flavor precursors during storage on yeast lees, J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q . [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]


Notes

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