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2-Furancarboxaldehyde, 5-methyl-

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Normal alkane RI, 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 HP-InnowaxFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 15.30.60.60.30.
Carrier gas HeliumNitrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.500.500.500.500.25
Tstart (C) 40.35.40.40.40.
Tend (C) 250.250.210.210.230.
Heat rate (K/min) 3.4.2.2.3.
Initial hold (min)  5.5.5.2.
Final hold (min)  45.70.70.5.
I 1575.1605.1597.1596.1570.
ReferencePuvipirom and Chaisei, 2012Budryn, Nebesny, et al., 2011Moon and Shibamoto, 2010Moon and Shibamoto, 2009Zhao, Xu, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxHP-InnowaxFFAPBP-20DB-Wax
Column length (m) 30.50.30.30.30.
Carrier gas  HeliumN2HeHe
Substrate      
Column diameter (mm) 0.250.200.320.250.32
Phase thickness (mum) 0.250.200.50.250.25
Tstart (C) 40.45.35.70.40.
Tend (C) 200.190.320.220.230.
Heat rate (K/min) 10.4.4.4.4.
Initial hold (min) 5.2.5.4.2.
Final hold (min) 15.50.45.5.15.
I 1574.1588.1605.1581.1555.
ReferenceKaypak and Avsar, 2008Soria, Sanz, et al., 2008Nebesny, Budryn, et al., 2007Rawat, Gulati, et al., 2007Fan and Qian, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-Wax EtrDB-Wax EtrCP-WaxPEG-20M
Column length (m) 60.60.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.25 
Tstart (C) 50.40.40.40.60.
Tend (C) 200.230.220.180.180.
Heat rate (K/min) 2.2.2.5.3.
Initial hold (min)  5.1.2.10.
Final hold (min) 90.100.10. 30.
I 1530.1606.1599.1559.1578.
ReferenceFujioka and Shibamoto, 2006Ibarz, Ferreira, et al., 2006Perestrelo, Fernandes, et al., 2006Ka, Choi, et al., 2005Yao, Guo, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TC-WaxPEG-20MHP-InnowaxDB-WaxDB-Wax
Column length (m) 60.50.50.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.200.20.250.25
Phase thickness (mum) 0.50.200.20.250.25
Tstart (C) 40.40.45.50.50.
Tend (C) 230.180.190.180.180.
Heat rate (K/min) 3.3.4.3.3.
Initial hold (min) 8.5.2.  
Final hold (min)  30.50.40.40.
I 1587.1580.1595.1579.1580.
ReferenceIshikawa, Ito, et al., 2004Narain, Almeida, et al., 2004Soria, Gonzalez, et al., 2004Yanagimoto, Ochi, et al., 2004Yanagimoto, Ochi, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxTC-WAX FFSHP-WaxHP-Wax
Column length (m) 30.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25  0.50.5
Tstart (C) 50.80.60.40.40.
Tend (C) 230.250.240.190.190.
Heat rate (K/min) 3.4.3.3.3.
Initial hold (min) 2.  6.6.
Final hold (min) 20.30.   
I 1566.1576.1611.1605.1605.
ReferenceLin, Cai, et al., 2003Miyazawa and Okuno, 2003Miyazawa, Maehara, et al., 2002Sanz, Maeztu, et al., 2002Maeztu, Sanz, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxDB-WaxCP-Wax 52CBDB-WaxDB-Wax
Column length (m) 60.60.50.60.60.
Carrier gas HeHeHeNitrogen 
Substrate      
Column diameter (mm) 0.250.250.300.250.32
Phase thickness (mum) 0.50.250.25  
Tstart (C) 40.40.40.40.30.
Tend (C) 190.200.220.200.170.
Heat rate (K/min) 3.2.3.2.2.
Initial hold (min) 6. 5.10.4.
Final hold (min)     60.
I 1605.1549.1563.1583.1567.
ReferenceSanz, Ansorena, et al., 2001Wei, Mura, et al., 2001Chagonda, Makanda, et al., 2000Tamura, Boonbumrung, et al., 2000Buttery, Orts, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MHP-InnowaxCP-Wax 52CBTC-WaxDB-Wax
Column length (m) 50.25.50.60.60.
Carrier gas He He He
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 0.25 0.25  
Tstart (C) 35.35.50.80.40.
Tend (C) 230.250.210.240.200.
Heat rate (K/min) 3.4.1.53.2.
Initial hold (min)   5.5.2.
Final hold (min) 30. 10.  
I 1588.1558.1577.1584.1570.
ReferenceChatonnet and Dubourdieu, 1998Ong, Acree, et al., 1998Chyau, Lin, et al., 1997Shuichi, Masazumi, et al., 1996Umano, Hagi, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MCarbowax 20MDB-WaxFFAP
Column length (m) 50.50.50. 50.
Carrier gas HeHeHe30He
Substrate      
Column diameter (mm) 0.250.330.250.250.28
Phase thickness (mum)      
Tstart (C) 60.60.60.30.60.
Tend (C) 180.200.180.240.240.
Heat rate (K/min) 2.3.2.50.2.
Initial hold (min) 4. 4.10.5.
Final hold (min)      
I 1539.1550.1539.1536.1560.
ReferenceKawakami, Kobayashi, et al., 1993Vernin, Metzger, et al., 1992Kawakami and Kobayashi, 1991Pfannhauser, 1990Vernin, Metzger, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPackedCapillaryCapillary
Active phase FFAPCarbowax 20MCarbowaxCarbowax 20MCarbowax 20M
Column length (m) 50.150.3.100.100.
Carrier gas He He  
Substrate   Chromosorb G AW DMCS  
Column diameter (mm) 0.280.64 0.250.25
Phase thickness (mum)      
Tstart (C) 60.50.60.70.70.
Tend (C) 240.170.180.170.170.
Heat rate (K/min) 2.1.4.1.1.
Initial hold (min) 5.30.   
Final hold (min)  60.   
I 1560.1560.1569.1559.1560.
ReferenceVernin, Metzger, et al., 1988Buttery, Ling, et al., 1983Schieberle and Grosch, 1983Shibamoto and Russell, 1977Shibamoto and Russell, 1977
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MCarbowax 20M
Column length (m) 100.100.
Carrier gas N2N2
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum)   
Tstart (C) 70.70.
Tend (C) 170.170.
Heat rate (K/min) 1.1.
Initial hold (min)   
Final hold (min)   
I 1557.1559.
ReferenceShibamoto and Russell, 1976Shibamoto and Russell, 1976
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S., Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink), Int. Food Res. J., 2012, 19, 2, 583-588. [all data]

Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W., HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews, Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]

Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T., Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid, J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148 . [all data]

Moon and Shibamoto, 2009
Moon, J.-K.; Shibamoto, T., Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans, J. Agric. Food Chem., 2009, 57, 13, 5823-5831, https://doi.org/10.1021/jf901136e . [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K., Volatile and odor-active compounds of tuzlu yoghurt, Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]

Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I., SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles, Eur. Food Res. Technol., 2008, 1-12. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B., Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry, Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071 . [all data]

Fan and Qian, 2006
Fan, W.; Qian, M.C., Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis, J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t . [all data]

Fujioka and Shibamoto, 2006
Fujioka, K.; Shibamoto, T., Quantitation of volatiles and nonvolatile acids in an extract from coffee beverages: correlation with antioxidant activity, J. Agric. Food Chem., 2006, 54, 16, 6054-6058, https://doi.org/10.1021/jf060460x . [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]

Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S., Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds, Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023 . [all data]

Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G., Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves, J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x . [all data]

Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X., Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process, J. Agric. Food Chem., 2005, 53, 22, 8688-8693, https://doi.org/10.1021/jf058059i . [all data]

Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A., Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles, Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322 . [all data]

Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S., Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique, Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009 . [all data]

Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J., Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data, Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012 . [all data]

Yanagimoto, Ochi, et al., 2004
Yanagimoto, K.; Ochi, H.; Lee, K.-G.; Shibamoto, T., Antioxidative activities of fractions obtained from brewed coffee, J. Agric. Food Chem., 2004, 52, 3, 592-596, https://doi.org/10.1021/jf030317t . [all data]

Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q., Constituents of the essential oil of Hemerocallis flava day lily, Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264 . [all data]

Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y., Volatile components from the roots of Scrophularia ningpoensis Hemsl., Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232 . [all data]

Miyazawa, Maehara, et al., 2002
Miyazawa, M.; Maehara, T.; Kurose, K., Composition of the essential oil from the leaves of Eruca sativa, Flavour Fragr. J., 2002, 17, 3, 187-190, https://doi.org/10.1002/ffj.1079 . [all data]

Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C., Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar, J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110 . [all data]

Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C., Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile, J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959 . [all data]

Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C., Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee, J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r . [all data]

Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T., Antioxidative activity of volatile chemicals extracted from beer, J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e . [all data]

Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.; Chalchat, J.-C., The essential oils of wild and cultivated Cymbopogon validus (Stapf) Stapf ex Burtt Davy and Elionurus muticus (Spreng.) Kunth from Zimbabwe, Flavour Fragr. J., 2000, 15, 2, 100-104, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y., Volatile flavor components of rice cakes, J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w . [all data]

Chatonnet and Dubourdieu, 1998
Chatonnet, P.; Dubourdieu, D., Identification of Substances Responsible for the sundust Aroma in Oak Wood, J. Sci. Food Agric., 1998, 76, 2, 179-188, https://doi.org/10.1002/(SICI)1097-0010(199802)76:2<179::AID-JSFA924>3.0.CO;2-6 . [all data]

Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H., Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.), J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t . [all data]

Chyau, Lin, et al., 1997
Chyau, C.-C.; Lin, Y.-C.; Mau, J.-L., Storage stability of deep-fried shallot flavoring, J. Agric. Food Chem., 1997, 45, 8, 3211-3215, https://doi.org/10.1021/jf970109z . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K., Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process, J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023 . [all data]

Vernin, Metzger, et al., 1992
Vernin, G.; Metzger, J.; Boniface, C.; Murello, M.-H.; Siouffi, A.; Larice, J.-L.; Parkanyi, C., Kinetics and thermal degradation of the fructose-methionine Amadori intermediates. GC-MS/SPECMA data bank identification of volatile aroma compounds, Carbohyd. Res., 1992, 230, 1, 15-29, https://doi.org/10.1016/S0008-6215(00)90510-X . [all data]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Pfannhauser, 1990
Pfannhauser, W., Fluchtige Verbindungen aus extrudaten von triticale, Deutsche Lebensmittel-Rundschau, 1990, 86, 3, 69-72. [all data]

Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D., GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [all data]

Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R., Insect attractants: volatiles of hydrolizyed protein insect baits, J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003 . [all data]

Schieberle and Grosch, 1983
Schieberle, P.; Grosch, W., Identifizierung von Aromastoffen aus der Kruste von Roggenbrot, Z. Lebensm. Unters. Forsch., 1983, 177, 3, 173-180, https://doi.org/10.1007/BF01146791 . [all data]

Shibamoto and Russell, 1977
Shibamoto, T.; Russell, G.F., A study of the volatiles isolated from a D-glucose-hydrogen sulfide-ammonia model system, J. Agric. Food Chem., 1977, 25, 1, 109-112, https://doi.org/10.1021/jf60209a054 . [all data]

Shibamoto and Russell, 1976
Shibamoto, T.; Russell, G.F., Study of meat volatiles associated with aroma generated in a D-glucose-hydrogen sulfide-ammonia model system, J. Agric. Food Chem., 1976, 24, 4, 843-846, https://doi.org/10.1021/jf60206a047 . [all data]


Notes

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