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Octanoic acid, ethyl ester

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Normal alkane 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-5 MSDB-5RTX-5DB-5
Column length (m) 30.30.30.10.30.
Carrier gas HeliumHeliumNitrogenHeHe
Substrate      
Column diameter (mm) 0.250.320.250.180.32
Phase thickness (mum) 0.250.250.250.20.25
Tstart (C) 60.50.40.40.40.
Tend (C) 240.240.230.275.250.
Heat rate (K/min) 3.4.2.50.4.
Initial hold (min)  2. 0.52.
Final hold (min)  10. 0.55.
I 1196.1199.1197.1197.1196.
ReferenceFraternale, Ricci, et al., 2011Pino, Marquez, et al., 2010Scrivanti, Anton, et al., 2009Setkova, Risticevic, et al., 2007Xu, Fan, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5DB-5DB-5DB-5
Column length (m) 60.30.30.30.30.
Carrier gas NitrogenHeN2 N2
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (mum)  1.1.0.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 200.250.230.240.250.
Heat rate (K/min) 2.4.6.4.4.
Initial hold (min) 1.2.2.2.2.
Final hold (min) 9.15.15. 5.
I 1176.1196.1205.1205.1196.
ReferenceChen, Sheu, et al., 2006Fan and Qian, 2006Fan and Qian, 2006, 2El-Sayed, Heppelthwaite, et al., 2005Fan and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSSPB-5DB-5SPB-5DB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeH2HeliumHe
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.40.60.60.40.
Tend (C) 285.220.280.250.195.
Heat rate (K/min) 4.35.4.4.5.
Initial hold (min)  1.10.2.5.
Final hold (min)  20.40.20.40.
I 1195.1199.1195.1195.1196.
ReferenceTesevic, Nikicevic, et al., 2005Ledauphin, Guichard, et al., 2003Pino, Marbot, et al., 2003Pino, Marbot, et al., 2002Suriyaphan, Drake, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5DB-1OV-101
Column length (m) 30.60.30.25.50.
Carrier gas H2HeH2HeNitrogen
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 0.251.0.50.13 
Tstart (C) 40.40.60.60.40.
Tend (C) 280.240.245.200.200.
Heat rate (K/min) 3.3.3.4.2.
Initial hold (min) 10. 3.2.10.
Final hold (min) 10. 20.  
I 1199.1195.1200.1215.1180.
ReferenceBicalho, Pereira, et al., 2000García, Martín, et al., 2000Kotseridis and Baumes, 2000Rapior, Konska, et al., 2000Tamura, Boonbumrung, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-5Ultra-2BP-5HP-5DB-5 MS
Column length (m) 50.25.50. 30.
Carrier gas He He Helium
Substrate      
Column diameter (mm) 0.320.20.32 0.25
Phase thickness (mum) 1. 1.  
Tstart (C) 40.40.40.35.50.
Tend (C) 190.300.190.200.250.
Heat rate (K/min) 2.5.2.6.4.
Initial hold (min) 5.4.5.2. 
Final hold (min)      
I 1201.1193.1201.1198.1196.
ReferenceLopez, Ferreira, et al., 1999Quiroz, Fuentes-Contreras, et al., 1999Ferreira, Ardanuy, et al., 1998Larsen and Frisvad, 1995Gomez and Ledbetter, 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-1DB-1
Column length (m) 30.30.60.60.30.
Carrier gas H2H2He He
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 1.1.0.25 1.0
Tstart (C) 40.40.40.30.40.
Tend (C) 220.220.200.200.250.
Heat rate (K/min) 3.3.3.4.3.
Initial hold (min)   2.25. 
Final hold (min)    20.30.
I 1196.1197.1193.1180.1179.
ReferenceMoio, Dekimpe, et al., 1993Moio, Dekimpe, et al., 1993Shimoda, Shibamoto, et al., 1993Hansen, Buttery, et al., 1992Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1SE-30OV-1
Column length (m) 30.60.60. 183.
Carrier gas HeHeHeHeliumN2
Substrate      
Column diameter (mm) 0.250.250.25 0.762
Phase thickness (mum) 1.00.250.25  
Tstart (C) 40.50.50.70.0.
Tend (C) 250.240.240.170.230.
Heat rate (K/min) 3.3.3.2.1.
Initial hold (min)      
Final hold (min) 30.    
I 1179.1180.1192.1184.1180.
ReferencePeppard, 1992Shiota, 1991Shiota, 1991Alves and Jennings, 1979Schreyen, Dirinck, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G., Volatile profile of red apple from Marche region (Italy), Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J., Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data, J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052 . [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Chen, Sheu, et al., 2006
Chen, H.-C.; Sheu, M.-J.; Wu, C.-M., Characterization of Volatiles in Guava (Psidium guajava L. cv. Chung-Shan-Yueh-Pa) Fruit from Taiwan, J. Food Drug. Anal., 2006, 14, 4, 398-402. [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]

El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M., Volatile constituents of fermented sugar baits and their attraction to lepidopteran species, J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j . [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]

Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M., Volatile components from old plum brandies, Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]

Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D., Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants, J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e . [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]

Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R., Characteristic aroma components of British farmhouse cheddar cheese, J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l . [all data]

Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M., Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles, J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Rapior, Konska, et al., 2000
Rapior, S.; Konska, G.; Guillot, J.; Andary, C.; Bessiere, J.-M., Volatile composition of Laetiporus sulphureus, Cryptogamie, Mycol., 2000, 21, 1, 67-72, https://doi.org/10.1016/S0181-1584(00)00109-3 . [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]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Quiroz, Fuentes-Contreras, et al., 1999
Quiroz, A.; Fuentes-Contreras, E.; Ramírez, C.C.; Russell, G.B.; Niemeyer, H.M., Host-plant chemicals and distribution of Neuquenaphis ON Nothofagus, J. Chem. Ecol., 1999, 25, 5, 1043-1054, https://doi.org/10.1023/A:1020825707922 . [all data]

Ferreira, Ardanuy, et al., 1998
Ferreira, V.; Ardanuy, M.; López, R.; Cacho, J.F., Relationship between flavor dilution values and odor unit values in hydroalcoholic solutions: role of volatility and a practical rule for its estimation, J. Agric. Food Chem., 1998, 46, 10, 4341-4346, https://doi.org/10.1021/jf980144l . [all data]

Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2 . [all data]

Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A., Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L., J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Shimoda, Shibamoto, et al., 1993
Shimoda, M.; Shibamoto, T.; Noble, A.C., Evaluation of heaspace volatiles of Cabernet Sauvignon wines sampled by an on-column method, J. Agric. Food Chem., 1993, 41, 10, 1664-1668, https://doi.org/10.1021/jf00034a028 . [all data]

Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C., Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles, J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029 . [all data]

Peppard, 1992
Peppard, T.L., Volatile flavor constituents of Monstera deliciosa, J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018 . [all data]

Shiota, 1991
Shiota, H., Volatile components of pawpaw fruit (Asimina triloba Dunal.), J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019 . [all data]

Alves and Jennings, 1979
Alves, S.; Jennings, W.G., Volatile composition of certain Amazonian fruits, Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6 . [all data]

Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N., Flavor analysis of quince, J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058 . [all data]


Notes

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