Phenol, 2-methoxy-

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

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5MSHP-5MSDB-5MSDB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.50.50.250.25
Tstart (C) 60.35.35.35.35.
Tend (C) 240.225.225.225.225.
Heat rate (K/min) 3.4.4.10.10.
Initial hold (min)  5.5.5.5.
Final hold (min)  30.30.25.25.
I 1089.1096.1092.1096.1097.
ReferenceBaccouri, Ben Temime, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Drake M., et al., 2007Lozano P.R., Drake M., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5BP-1CP Sil 8 CBDB-5
Column length (m) 30.30.50.50.30.
Carrier gas   He H2
Substrate      
Column diameter (mm) 0.320.320.220.320.25
Phase thickness (μm) 0.50.250.25 0.25
Tstart (C) 40.40.60.60.35.
Tend (C) 265.240.220.220.270.
Heat rate (K/min) 7.6.2.4.5.
Initial hold (min)  2. 5. 
Final hold (min) 5.10.20.30.20.
I 1106.1090.1059.1084.1084.
ReferenceRuiz Perez-Cacho, Mahattanatawee, et al., 2007Steinhaus and Schieberle, 2007Duquesnoy, Dinh, et al., 2006Mahadevan and Farmer, 2006Alves, Pinto, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5DB-5HP-5HP-5
Column length (m) 30.60.60.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.40.50.50.
Tend (C) 200.275.275.250.250.
Heat rate (K/min) 10.7.7.4.4.
Initial hold (min) 3.  5.5.
Final hold (min) 20.  15.15.
I 1095.1090.1095.1089.1090.
ReferenceCarunchia Whetstine, Croissant, et al., 2005Gocmen, Elston, et al., 2005Gocmen, Elston, et al., 2005Mahattanatawee, Goodner, et al., 2005Mahattanatawee, Goodner, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5CP-Sil 8CB-MSSPB-5HP-1
Column length (m) 30.30.60.30.50.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.250.260.250.250.2
Phase thickness (μm) 0.250.250.250.250.33
Tstart (C) 40.60.40.60.60.
Tend (C) 200.246.280.250.250.
Heat rate (K/min) 10.3.4.4.2.
Initial hold (min) 3. 2.2.5.
Final hold (min) 20. 5.20.20.
I 1092.1087.1091.1087.1057.
ReferenceWhetstine, Cadwallader, et al., 2005Adams, Habte, et al., 2004Hierro, de la Hoz, et al., 2004Pino, Marbot, et al., 2004Cavalli, Fernandez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-5DB-5MSHP-5MSDB-5
Column length (m) 50.30.30.30.30.
Carrier gas He He He
Substrate      
Column diameter (mm) 0.20.320.250.250.32
Phase thickness (μm) 0.330.50.250.250.25
Tstart (C) 60.40.35.50.40.
Tend (C) 250.265.200.280.220.
Heat rate (K/min) 2.7.10.3.10.
Initial hold (min) 5. 5.5.5.
Final hold (min) 20.5.30. 30.
I 1052.1091.1086.1086.1102.
ReferenceCavalli, Fernandez, et al., 2003Högnadóttir and Rouseff, 2003Karagül-Yüceer, Vlahovich, et al., 2003Demetzos, Angelopoulou, et al., 2002Wu and Cadwallader, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1BPX-5SE-54CP Sil 8 CBCP Sil 8 CB
Column length (m) 60.50.25.50.50.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.320.310.320.32
Phase thickness (μm) 1.0.25   
Tstart (C) 40.35.35.60.60.
Tend (C) 220.250.230.220.220.
Heat rate (K/min) 2.4.4.4.4.
Initial hold (min) 5.3.3.5.5.
Final hold (min)  10.10.30.30.
I 1062.1101.1089.051087.1086.
ReferenceKim, 2001Oruna-Concha, Duckham, et al., 2001Yin, Xiu, et al., 2001Chevance and Farmer, 1999Chevance and Farmer, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BPX-5SE-54DB-1OV-1
Column length (m) 30.50.25.30. 
Carrier gas H2HeH2He 
Substrate      
Column diameter (mm) 0.250.320.310.32 
Phase thickness (μm) 0.250.50 5. 
Tstart (C) 50.40.35.35.35.
Tend (C) 290.280.250.270.300.
Heat rate (K/min) 4.4.4.10.8.
Initial hold (min)   3.1. 
Final hold (min)      
I 1074.1114.1096.1080.1060.1
Referenceda Silva, Borba, et al., 1999Aaslyng, Elmore, et al., 1998Li, Wang, et al., 1998Bartelt, 1997Gautzsch and Zinn, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPacked
Active phase DB-1SE-30
Column length (m) 60.3.05
Carrier gas HeHe
Substrate  Supelcoport and Chromosorb
Column diameter (mm) 0.25 
Phase thickness (μm) 0.25 
Tstart (C) 50.40.
Tend (C) 250.250.
Heat rate (K/min) 3.510.
Initial hold (min) 5.4.
Final hold (min)  60.
I 1068.1080.
ReferenceStashenko, Prada, et al., 1996Peng, Ding, et al., 1988
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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

Baccouri, Ben Temime, et al., 2007
Baccouri, B.; Ben Temime, S.; Campeol, E.; Cioni, P.L.; Daoud, D.; Zarrouk, M., Application of solid-phase microextraction to the analysis of volatile compounds in virgin olive oils from five new cultivars, Food Chem., 2007, 102, 3, 850-856, https://doi.org/10.1016/j.foodchem.2006.06.012 . [all data]

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Lozano P.R., Drake M., et al., 2007
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Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R., Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor, J. Agric. Food Chem., 2007, 55, 14, 5761-5767, https://doi.org/10.1021/jf0703856 . [all data]

Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P., Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science, J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092 . [all data]

Duquesnoy, Dinh, et al., 2006
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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [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]

Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A., Characterization of Dried Whey Protein Concentrate and Isolate Flavor, J. Dairy Sci., 2005, 88, 11, 3826-3839, https://doi.org/10.3168/jds.S0022-0302(05)73068-X . [all data]

Gocmen, Elston, et al., 2005
Gocmen, D.; Elston, A.; Williams, T.; Parish, M.; Rouseff, R.L., Identification of medicinal off-flavours generated by Alicyclobacillus species in orange juice using GC-olfactometry and GC-MS, Lett. Appl. Microbiol., 2005, 40, 3, 172-177, https://doi.org/10.1111/j.1472-765X.2004.01636.x . [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]

Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A., Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese, J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o . [all data]

Adams, Habte, et al., 2004
Adams, R.P.; Habte, M.; Park, S.; Dafforn, M.R., Preliminary comparison of vetiver root essential oils from cleansed (bacteria- and fungus-free) versus non-cleansed (normal) vetiver plants, Biochem. Syst. Ecol., 2004, 32, 12, 1137-1144, https://doi.org/10.1016/j.bse.2004.03.013 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [all data]

Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L., Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7 . [all data]

Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R., Characteristic aroma components of rennet casein, J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806 . [all data]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R., Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein, J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076 . [all data]

Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]

Oruna-Concha, Duckham, et al., 2001
Oruna-Concha, M.J.; Duckham, S.C.; Ames, J.M., Comparison of volatile compounds isolated from the skin and flesh of four potato cultivars after baking, J. Agric. Food Chem., 2001, 49, 5, 2414-2421, https://doi.org/10.1021/jf0012345 . [all data]

Yin, Xiu, et al., 2001
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Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

da Silva, Borba, et al., 1999
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Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S., Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy, J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816 . [all data]

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Stashenko, Prada, et al., 1996
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Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References