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Acetophenone

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Normal alkane RI, polar column, custom temperature program

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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 EC-1000DB-WaxDB-WaxSOLGel-WaxSOLGel-Wax
Column length (m)  30.30.30.30.
Carrier gas  HeliumHeliumHeliumHelium
Substrate      
Column diameter (mm)  0.250.250.250.25
Phase thickness (mum)  0.250.250.250.25
Program not specifiednot specifiednot specified40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)not specified
I 1650.1649.1665.1660.1660.
ReferenceDelabre and Bendall, 9999Welke, Manfroi, et al., 2012Welke, Manfroi, et al., 2012Johanningsmeier and McFeeters, 2011Johanningsmeier and McFeeters, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxDB-WaxDB-WaxSupelcowax-10Supelcowax 10
Column length (m) 60.30.30.30.50.
Carrier gas  HydrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.330.250.250.250.25
Program not specified35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)not specified45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
I 1657.1628.1650.1620.1667.
ReferenceNoorizadeh, Farmany, et al., 2011Sampaio, Garruti, et al., 2011Rochat, Egger, et al., 2009de Simon, Estruelas, et al., 2009Soria, Martinez-Castro, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxBP-20BP-20Supelcowax-10
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)
I 1625.1611.1637.1637.1669.
ReferenceTao, Wenlai, et al., 2008Narain, Galvao, et al., 2007Pontes, Marques, et al., 2007Pontes, Marques, et al., 2007Vichi, Guadayol, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAP-CBFFAPCarbowax 20MDB-WaxDB-Wax
Column length (m) 25.25. 60.60.
Carrier gas HeliumHe HeHe
Substrate      
Column diameter (mm) 0.320.32 0.320.32
Phase thickness (mum) 0.300.3 0.250.25
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
I 1668.1668.1621.1634.1645.
ReferenceBailly, Jerkovic, et al., 2006Bailly, Jerkovic, et al., 2006, 2Editorial paper, 2005Lee, Lee, et al., 2005Lee, Lee, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MPEG-20MHP-InnowaxDB-Wax
Column length (m) 60. 30.30.30.
Carrier gas Helium  HeHe
Substrate      
Column diameter (mm) 0.25 0.250.320.25
Phase thickness (mum) 0.25 0.250.50.25
Program 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0Cnot specified50C(8min) => 4C/min => 110C => 16C/min => 200C50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C
I 1646.1627.1637.1667.1627.
ReferenceKim. J.H., Ahn, et al., 2004Vinogradov, 2004Garruti, Franco, et al., 2003Piasenzotto, Gracco, et al., 2003Miranda, Nogueira, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEG-20MDB-WaxDB-WaxPolyethylene GlycolDB-Wax
Column length (m) 25.60.60.  
Carrier gas  N2He  
Substrate      
Column diameter (mm) 0.25 0.25  
Phase thickness (mum)  0.25   
Program not specifiednot specified45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min)not specifiednot specified
I 1627.1657.1695.1667.1643.
ReferenceDing, Deng, et al., 1998Weyerstahl, Marschall, et al., 1998Ziegleder, 1998Grundschober, 1991Peng, Yang, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-WaxCarbowax 20M
Column length (m) 60. 
Carrier gas   
Substrate   
Column diameter (mm) 0.32 
Phase thickness (mum)   
Program not specifiednot specified
I 1643.1627.
ReferenceBinder and Flath, 1989Shibamoto, 1987
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

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

Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F., Flavour ingredients from fermented dairy streams, Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Noorizadeh, Farmany, et al., 2011
Noorizadeh, H.; Farmany, A.; Noorizadeh, M., Quantitative structure-retention relationships analysis of retention index of essential oils, Quim. Nova, 2011, 34, 2, 242-249, https://doi.org/10.1590/S0100-40422011000200014 . [all data]

Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP., Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration, J. Sci. Food Agric., 2011, 91, 10, 1801-1809, https://doi.org/10.1002/jsfa.4385 . [all data]

Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A., Strategy for the identification of key odorants: application to shrimp aroma, J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014 . [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]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X., Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry, J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S., Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry, Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037 . [all data]

Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S., Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma, Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018 . [all data]

Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S., Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]

Bailly, Jerkovic, et al., 2006, 2
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S., Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols, J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k . [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S., Antioxidant activity and characterization of volatile constituents of beechwood creosote, J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156 . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

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

Garruti, Franco, et al., 2003
Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Alves, G.L., Evaluation of volatile flavour compounds from cashew apple (Anacardium occidentale L) juice by the Osme gas chromatography/olfactometry technique, J. Sci. Food Agric., 2003, 83, 14, 1455-1462, https://doi.org/10.1002/jsfa.1560 . [all data]

Piasenzotto, Gracco, et al., 2003
Piasenzotto, L.; Gracco, L.; Conte, L., Solid phase microextraction (SPME) applied to honey quality control, J. Sci. Food Agric., 2003, 83, 10, 1037-1044, https://doi.org/10.1002/jsfa.1502 . [all data]

Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M., Odour-active compounds of banana passa identified by aroma extract dilution analysis, Flavour Fragr. J., 2001, 16, 4, 281-285, https://doi.org/10.1002/ffj.997 . [all data]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Ziegleder, 1998
Ziegleder, G., Volatile and odorous compounds in unprinted paperboard, Packag. Technol. Sci., 1998, 11, 5, 231-239, https://doi.org/10.1002/(SICI)1099-1522(1998090)11:5<231::AID-PTS437>3.0.CO;2-A . [all data]

Grundschober, 1991
Grundschober, F., The identification of individual components in flavourings and flavoured foods, Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [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]


Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References