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Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester


Gas Chromatography

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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

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

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Column type Active phase I Reference Comment
CapillaryHP-51525.Perraudin, Popovici, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 250. C
CapillaryDB-51525.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryDB-51496.Fang and Qian, 200530. m/0.32 mm/1. «mu»m, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-51526.da Silva, Borba, et al., 199930. m/0.25 mm/0.25 «mu»m, H2, 4. K/min; Tstart: 50. C; Tend: 290. 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-5MS1516.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

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Column type Active phase I Reference Comment
CapillaryInnowax2600.Lee, Lee, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 230. C @ 20. min
CapillaryStabilwax2585.Fang and Qian, 200530. m/0.32 mm/1. «mu»m, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax2580.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-Wax2586.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-Wax2600.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-Wax2567.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-Wax2578.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. 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
CapillaryDB-Wax2600.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 20M2586.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-5 MS1527.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryZB-51526.Harrison and Priest, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillaryDB-51516.Güntert, Rapp, et al., 198630. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryZB-51518.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)
CapillaryCP Sil 5 CB1481.Guyot, Scheirman, et al., 1999He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax Etr2629.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
CapillaryDB-Wax2607.Culleré, Escudero, et al., 200430. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillarySupelcowax-102603.Miranda-López, Libbey, et al., 199260. m/0.75 mm/1. «mu»m, 80. C @ 5. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-102604.Miranda-López, Libbey, et al., 199260. m/0.75 mm/1. «mu»m, 80. 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
CapillaryDB-Wax2629.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)
CapillarySupelcowax-102565.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-Wax Etr2629.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-Wax2613.Ferreira, Pet'ka, et al., 200660. m/0.32 mm/0.5 «mu»m, H2; Program: 40C(2min) => 6C/min => 200C (15min) => 220C (20min)
CapillaryCP-Wax 52 CB2635.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
CapillarySupelcowax-102598.Miranda-Lopez, Libbey, et al., 199230. m/0.53 mm/0.25 «mu»m; Program: 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min)
CapillarySupelcowax-102603.Miranda-Lopez, Libbey, et al., 199230. m/0.53 mm/0.25 «mu»m; Program: 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min)

References

Go To: Top, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Perraudin, Popovici, et al., 2006
Perraudin, F.; Popovici, J.; Bertrand, C., Analysis of headspace-solid microextracts from flowers of Maxillaria tenuifolia Lindl. by GC-MS, Electronic Journal of Natural Substances, 2006, 1, 1-5. [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

Fang and Qian, 2005
Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551 . [all data]

da Silva, Borba, et al., 1999
da Silva, U.F.; Borba, E.L.; Semir, J.; Marsaioli, A.J., A simple solid injection device for the analyses of Bulbophyllum (Orchidaceae) volatiles, Phytochemistry, 1999, 50, 1, 31-34, https://doi.org/10.1016/S0031-9422(98)00459-2 . [all data]

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

Lee, Lee, et al., 2006
Lee, S.-J.; Lee, J.-E.; Kim, H.-W.; Kim, S.-S.; Koh, K.-H., Development of Korean red wines using Vitis labrusca varieties: instrumental and sensory characterization, Food Chem., 2006, 94, 3, 385-393, https://doi.org/10.1016/j.foodchem.2004.11.035 . [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]

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]

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, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Güntert, Rapp, et al., 1986
Güntert, M.; Rapp, A.; Takeoka, G.R.; Jennings, W., HRGC and HRGC-MS applied to wine constituents of lower volatility, Z. Lebensm. Unters. Forsch., 1986, 182, 3, 200-204, https://doi.org/10.1007/BF01042128 . [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]

Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S., Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea, Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8 . [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]

Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V., Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines, J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820 . [all data]

Miranda-López, Libbey, et al., 1992
Miranda-López, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R., Research note. Identificatiohn of additional odor-active compounds in Pinot noir wines, Am. J. Enol. Vitic, 1992, 43, 1, 90-92. [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]

Ferreira, Pet'ka, et al., 2006
Ferreira, V.; Pet'ka, J.; Cacho, J., Intensity and persistence profiles of flavor compounds in synthetic solutions. Simple model for explaining the intensity and persistence of their aftersmell, J. Agric. Food Chem., 2006, 54, 2, 489-496, https://doi.org/10.1021/jf051802m . [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]

Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R., Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme), J. Food Sci., 1992, 57, 4, 985-993, https://doi.org/10.1111/j.1365-2621.1992.tb14339.x . [all data]


Notes

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