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Heptanoic acid

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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 FFAPVF-Wax MSCP-WaxHP-20MHP-20M
Column length (m) 60.60.60.50.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 45.60.50.70.70.
Tend (C) 220.220.230.180.180.
Heat rate (K/min) 5.3.6.4.4.
Initial hold (min) 1.5.2.4.4.
Final hold (min) 5.25.15.  
I 1932.1962.1962.1986.1988.
ReferencePiyachaiseth, Jirapakkul, et al., 2011Duarte, Dias, et al., 2010Mo, Fan, et al., 2009Blazevic and Mastelic, 2008Blazevic and Mastelic, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 57 CBCP-Wax 52CBRTX-WaxBP-20BP-20
Column length (m) 50.30.30.30.30.
Carrier gas HydrogenHeHeHeHe
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (mum) 0.200.320.50.250.25
Tstart (C) 35.50.40.70.70.
Tend (C) 150.220.220.220.220.
Heat rate (K/min) 4.6.10.4.4.
Initial hold (min) 5.2.5.4.4.
Final hold (min) 17.520.10.5.5.
I 1927.1949.1934.1970.1968.
ReferenceCallejon, Morales, et al., 2008Audino, Alzogaray, et al., 2007Prososki, Etzel, et al., 2007Rawat, Gulati, et al., 2007Rawat, Gulati, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxZB-WaxDB-WaxStabilwax DA
Column length (m) 30.30.60.30.60.
Carrier gas HeN2HeN2 
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.250.250.50.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 230.230.250.230.180.
Heat rate (K/min) 4.6.3.4.5.
Initial hold (min) 2.2.2.2.5.
Final hold (min) 15.15.10.5. 
I 1955.1976.1972.1962.2000.
ReferenceFan and Qian, 2006Fan and Qian, 2006, 2Wierda R.L., Fletcher G., et al., 2006Fan and Qian, 2005Nogueira, Lubachevsky, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxTC-WaxInnowax
Column length (m) 60.60.30.60.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25 0.25  
Tstart (C) 70.60.50.80.60.
Tend (C) 230.220.230.250.220.
Heat rate (K/min) 2.2.3.4.4.
Initial hold (min) 2.4.2. 10.
Final hold (min) 20. 20.30.10.
I 1963.1952.1957.1957.1981.
ReferenceChoi, 2004Jiang and Kubota, 2004Lin, Cai, et al., 2003Miyazawa and Okuno, 2003Suleimenov, Atazharova, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10FFAPHP-FFAPTC-Wax
Column length (m) 30.30.30.25.60.
Carrier gas  HeHe He
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.251.0.520.25
Tstart (C) 30.40.35.60.40.
Tend (C) 250.200.240.240.230.
Heat rate (K/min) 4.3.5.5.3.
Initial hold (min) 1.10.3.1.10.
Final hold (min)    5.10.
I 1958.1962.1904.1900.1941.
ReferenceTanaka, Yamauchi, et al., 2003Vichi, Castellote, et al., 2003Lecanu, Ducruet, et al., 2002Qian and Reineccius, 2002Suhardi, Suzuki, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TC-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.30.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.53
Phase thickness (mum)  0.250.250.25 
Tstart (C) 80.30.50.50.60.
Tend (C) 250.170.240.240.210.
Heat rate (K/min) 4.2.4.4.4.
Initial hold (min)  4.3.3. 
Final hold (min) 47.30.10.10. 
I 1950.1935.1900.1923.1933.
ReferenceMiyazawa, Kurose, et al., 2001Buttery, Light, et al., 2000Parada, Duque, et al., 2000Parada, Duque, et al., 2000Iwatsuki, Mizota, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxHP-InnowaxDB-WaxDB-Wax
Column length (m) 30.60.25.60.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.530.250.320.250.25
Phase thickness (mum)     0.25
Tstart (C) 60.30.35.60.20.
Tend (C) 210.170.250.180.200.
Heat rate (K/min) 4.2.4.2.4.
Initial hold (min)  4.  4.
Final hold (min)  30.  10.
I 1930.1925.1950.1956.1936.
ReferenceIwatsuki, Mizota, et al., 1999Buttery and Ling, 1998Ong, Acree, et al., 1998Sekiwa, Kubota, et al., 1997Morales, Albarracín, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxDB-WaxDB-WaxCarbowax 20M
Column length (m) 30.60.60.30.150.
Carrier gas He  Helium 
Substrate      
Column diameter (mm) 0.250.250.250.320.64
Phase thickness (mum) 0.25    
Tstart (C) 50.80.60.40.50.
Tend (C) 200.240.220.200.170.
Heat rate (K/min) 4.3.3.6.1.
Initial hold (min) 4.5.4.1.30.
Final hold (min) 10.    
I 1966.1965.1975.1963.1990.
ReferenceMorales, Albarracín, et al., 1996Shuichi, Masazumi, et al., 1996Chung, Eiserich, et al., 1993Andersen J.F., Mikolajczak K.L., et al., 1987Buttery, Parker, et al., 1981
Comment MSDC-RI MSDC-RI 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.

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F., Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu, Food Sci. Technol., 2010, 43, 1564-1572. [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]

Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J., Free and bounded volatiles of rocket (Eruca sativa Mill.), Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883 . [all data]

Callejon, Morales, et al., 2008
Callejon, R.M.; Morales, M.L.; Ferreira, A.C.S.; Troncoso, A.M., Defining the typical aroma of sherry vinegar: sensory and chemical approach, J. Agric. Food Chem., 2008, 56, 17, 8086-8095, https://doi.org/10.1021/jf800903n . [all data]

Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E., Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds, Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2 . [all data]

Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [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]

Fan and Qian, 2006, 2
Fan, W.; Qian, M.C., Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry, Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621 . [all data]

Wierda R.L., Fletcher G., et al., 2006
Wierda R.L.; Fletcher G.; Xu L.; Dufour J.P., Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS, J. Agric. Food Chem., 2006, 54, 22, 8480-8490, https://doi.org/10.1021/jf061377c . [all data]

Fan and Qian, 2005
Fan, W.; Qian, M.C., Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors, J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k . [all data]

Nogueira, Lubachevsky, et al., 2005
Nogueira, M.C.L.; Lubachevsky, G.; Rankin, S.A., A study of the volatile composition of Minas cheese, Lebensm. Wiss. Technol., 2005, 38, 5, 555-563, https://doi.org/10.1016/j.lwt.2004.07.019 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Jiang and Kubota, 2004
Jiang, L.; Kubota, K., Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.), J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a . [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]

Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M., Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [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]

Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6 . [all data]

Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A., Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese, J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107 . [all data]

Qian and Reineccius, 2002
Qian, M.; Reineccius, G., Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry, J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1 . [all data]

Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N., Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation, J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e . [all data]

Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N., Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan, J. Agric. Food Chem., 2001, 49, 11, 5433-5436, https://doi.org/10.1021/jf010219c . [all data]

Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N., Volatile components of green walnut husks, J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b . [all data]

Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y., Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera), J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232 . [all data]

Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M., Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis, Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587 . [all data]

Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C., Additional studies on flavor components of corn tortilla chips, J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b . [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]

Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A., Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation, J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e . [all data]

Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J., Volatile constituents from Andes berry (Rubus glaucus Benth), J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011 . [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]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C, J. Agric. Food Chem., 1993, 41, 9, 1467-1470, https://doi.org/10.1021/jf00033a022 . [all data]

Andersen J.F., Mikolajczak K.L., et al., 1987
Andersen J.F.; Mikolajczak K.L.; Reed D.K., Analysis of peach bark volatiles and their electroantennogram activity with lesser pechtree borer, Synanthedon pictipes (Grote and Robinson), J. Chem. Ecol., 1987, 13, 11, 2103-2114, https://doi.org/10.1007/BF01012874 . [all data]

Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C., Volatile components of alfalfa leaf-cutter bee cells, J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017 . [all data]


Notes

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