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3-Octanone

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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 AT-WaxDB-WaxCP-WaxZB-WaxDB-Wax
Column length (m) 60.30.60.60.60.
Carrier gas HeliumHydrogenHeliumHydrogenHelium
Substrate      
Column diameter (mm) 0.250.250.250.530.32
Phase thickness (mum) 0.250.250.251.00.25
Tstart (C) 60.30.50.60.30.
Tend (C) 280.230.230.200.200.
Heat rate (K/min) 4.8.6.8.2.
Initial hold (min)  5.2. 4.
Final hold (min)  10.15. 30.
I 1224.1253.1262.1291.1249.
ReferenceKiss, Csoka, et al., 2011Karlsson, Birgersson, et al., 2009Mo, Fan, et al., 2009Zawirska-Wojtasiak, Siwulski, et al., 2009Beck, Higbee, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxHP-InnowaxCP Wax 52 CBStabilwax
Column length (m) 60.30.30.60.60.
Carrier gas HeliumHeHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 30.30.50.40.40.
Tend (C) 200.210.250.220.240.
Heat rate (K/min) 2.5.6.53.3.
Initial hold (min) 4. 1.5 5.
Final hold (min) 30. 10. 10.
I 1251.1264.1251.1235.1244.
ReferenceBeck, Higbee, et al., 2008Kumazawa, Itobe, et al., 2008Thakeow, Angeli, et al., 2008Chen, Chyau, et al., 2007Cros, Vandanjon, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPCP-Wax 52CBDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 30.60.30.60.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.530.53
Phase thickness (mum) 0.50.50.251.1.
Tstart (C) 35.40.50.40.40.
Tend (C) 320.220.180.240.240.
Heat rate (K/min) 4.4.3.4.4.
Initial hold (min) 5.8. 2.2.
Final hold (min) 45.20.40.20.20.
I 1287.1262.1247.1277.1277.
ReferenceNebesny, Budryn, et al., 2007Povolo, Contarini, et al., 2007Lee, Umano, et al., 2005Rochat and Chaintreau, 2005Rochat and Chaintreau, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10ZB-WaxZB-WaxStabilwaxDB-Wax
Column length (m) 60.30.30.60.30.
Carrier gas HeHeliumHeHelium 
Substrate      
Column diameter (mm) 0.530.320.320.250.25
Phase thickness (mum) 1.0.250.250.250.25
Tstart (C) 40.40.40.40.30.
Tend (C) 240.250.250.240.250.
Heat rate (K/min) 4.5.5.3.4.
Initial hold (min) 2.2.2.5.1.
Final hold (min) 20.5.10.10. 
I 1280.1236.1236.1244.1252.
ReferenceRochat and Chaintreau, 2005N/AWu, Krings, et al., 2005Cros, Vandanjon, et al., 2003Tanaka, Yamauchi, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxRTX-WaxDB-WaxSupelcowax-10DB-Wax
Column length (m) 30.60.30.60.60.
Carrier gas  HeHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 30.40.25.60.40.
Tend (C) 250.180.220.280.200.
Heat rate (K/min) 4.5.4.4.2.
Initial hold (min) 1.5.  2.
Final hold (min)  20.30.  
I 1253.1273.1259.1250.1252.
ReferenceTanaka, Yamauchi, et al., 2003Galindo-Cuspinera, Lubran, et al., 2002Duque, Bonilla, et al., 2001Korány, Mednyánszky, et al., 2000Umano, Hagi, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEG-20MDB-WaxTC-WaxCarbowax 20MCarbowax 20M
Column length (m) 60.60.60.50.50.
Carrier gas N2He HeNitrogen
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum)  0.25   
Tstart (C) 70.60.80.60.80.
Tend (C) 220.240.240.180.180.
Heat rate (K/min) 3.4.3.2.2.
Initial hold (min)   5.4. 
Final hold (min)      
I 1260.1254.1252.1242.1264.
ReferenceHirose, Joichi, et al., 1999Ngassoum, Yonkeu, et al., 1999Shuichi, Masazumi, et al., 1996Kawakami and Kobayashi, 1991Tamura, Kihara, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MCarbowax 20M
Column length (m) 60.150.150.
Carrier gas  He 
Substrate    
Column diameter (mm) 0.320.640.64
Phase thickness (mum)    
Tstart (C) 50.50.50.
Tend (C) 250.170.170.
Heat rate (K/min) 4.1.1.
Initial hold (min) 0.110.30.
Final hold (min) 5.60. 
I 1248.1250.1240.
ReferenceBinder and Flath, 1989Seifert and King, 1982Buttery and Kamm, 1980
Comment MSDC-RI 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.

Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K., Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary, J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]

Karlsson, Birgersson, et al., 2009
Karlsson, M.F.; Birgersson, G.; Prado, A.M.C.; Bosa, F.; Bengtsson, M.; Witzgall, P., Plant Odor Analysis of Potato: Responce of Guatemalan Moth to Above- and Background Potato Volatiles, J. Agric. Food Chem., 2009, 57, 13, 5903-5909, https://doi.org/10.1021/jf803730h . [all data]

Mo, Fan, et al., 2009
Mo, X.; Fan, W.; Xu, Y., Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage, J. of the Institute of Brewing, 2009, 115, 4, 300-307, https://doi.org/10.1002/j.2050-0416.2009.tb00385.x . [all data]

Zawirska-Wojtasiak, Siwulski, et al., 2009
Zawirska-Wojtasiak, R.; Siwulski, M.; Mildner-Szkudlarz, S.; Wasowicz, E., Studies of the aroma of different species and strains of Pleurotus measured by GC-MS, sensory analysis and electronic nose, Acta Sci. Pol. Technol. Aliment., 2009, 8, 1, 47-61. [all data]

Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N., Comparison of volatile emissions from undamaged and mechanically damaged almonds, J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224 . [all data]

Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269 . [all data]

Thakeow, Angeli, et al., 2008
Thakeow, P.; Angeli, S.; Weissbecker, B.; Schutz, S., Antennal and behavioral responses of Cis boleti to fungal odor of Trametes gibbosa, Chem. Senses, 2008, 33, 4, 379-387, https://doi.org/10.1093/chemse/bjn005 . [all data]

Chen, Chyau, et al., 2007
Chen, C.-C.; Chyau, C.-C.; Hseu, TY.-H., Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata, Lett. Appl. Microbiol., 2007, 44, 4, 387-392, https://doi.org/10.1111/j.1472-765X.2006.02087.x . [all data]

Cros, Vandanjon, et al., 2007
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., Processing of Industrial Mussel Cooking Juices by Reverse Osmotis: Pollution Abatement and Aromas Recovery, 2007, retrieved from title of Internet file: [imstec064]. [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]

Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P., Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry, J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A., Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note, J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l . [all data]

Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G., Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr., Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013 . [all data]

Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A., Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts, J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h . [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]

Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M., Preliminary results of a recognition method visualizing the aroma and fragrance features, Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9 . [all data]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Hirose, Joichi, et al., 1999
Hirose, S.; Joichi, A.; Nakamura, S.; Awano, K., Volatile components of musky scent of orchids, Flavour Fragr. J., 1999, 14, 3, 183-184, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<183::AID-FFJ804>3.0.CO;2-S . [all data]

Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H., Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar, Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X . [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]

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]

Tamura, Kihara, et al., 1990
Tamura, H.; Kihara, S.; Sugisawa, H., A New Identification Method for Aliphatic Compounds Using Linear Equation of the GC Retention Index Value, Agric. Biol. Chem., 1990, 54, 12, 3171-3176, https://doi.org/10.1271/bbb1961.54.3171 . [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]

Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr., Identification of some volatile constituents of Aspergillus clavatus, J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044 . [all data]

Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A., Volatile components of alfalfa: possible insect host plant attractants, J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014 . [all data]


Notes

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