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Butanoic acid, ethyl ester

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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-FFAPCP-Wax CBInnowaxVF-Wax MSDB-FFAP
Column length (m) 25.30.30.60.30.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.500.250.250.250.25
Tstart (C) 45.50.40.60.0.
Tend (C) 220.150.250.220.200.
Heat rate (K/min) 15.2.8.3.6.
Initial hold (min)   1.5.2.
Final hold (min)  5.2.7525. 
I 1038.1026.1040.1032.1028.
ReferenceWanakhachornkrai and Lertsiri, 9999Alves, da Penha, et al., 2012Siristova, Prinosilova, et al., 2012Duarte, Dias, et al., 2010Laselan, Buettner, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCP-Wax 57 CBDB-WaxInnowax
Column length (m) 60.60.50.30.30.
Carrier gas HeliumHeliumHydrogenHelium 
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.250.250.200.250.25
Tstart (C) 30.30.35.40.40.
Tend (C) 200.200.150.180.200.
Heat rate (K/min) 2.2.4.3.510.
Initial hold (min) 4.4.5.10.5.
Final hold (min) 30.30.17.530.15.
I 1029.1037.1014.1042.1042.
ReferenceBeck, Higbee, et al., 2008Beck, Higbee, et al., 2008Callejon, Morales, et al., 2008Caldeira, de Sousa, et al., 2008Kaypak and Avsar, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBSupelcowax-10DB-WaxCarbowax 20M
Column length (m) 30.30.10.30.25.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.25 0.10.320.25
Phase thickness (mum) 0.250.320.10.50.40
Tstart (C) 30.50.40.40.60.
Tend (C) 210.220.240.240.260.
Heat rate (K/min) 5.6.50.5.5.
Initial hold (min)  2.1.5  
Final hold (min)  20.2. 40.
I 1036.1054.1015.1035.1046.
ReferenceKumazawa, Itobe, et al., 2008Audino, Alzogaray, et al., 2007Chin, Nazimah, et al., 2007Dury-Brun, Fournier, et al., 2007Kafkas and Paydas, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxHP-Innowax
Column length (m) 30.30.30.15.30.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 230.230.230.230.200.
Heat rate (K/min) 4.4.6.6.2.
Initial hold (min) 2.2.2. 3.
Final hold (min) 5.15.15.20.15.
I 1031.1031.1038.1050.1013.
ReferenceXu, Fan, et al., 2007Fan and Qian, 2006Fan and Qian, 2006, 2Kishimoto, Wanikawa, et al., 2006Komes, Ulrich, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-Wax EtrDB-WaxDB-WaxDB-WaxPEG-20M
Column length (m) 30.30.60.30.50.
Carrier gas HeN2 H2 
Substrate      
Column diameter (mm) 0.250.320.530.320.20
Phase thickness (mum) 0.250.251.0.50.20
Tstart (C) 40.40.50.40.40.
Tend (C) 220.230.180.200.180.
Heat rate (K/min) 2.4.3.4.3.
Initial hold (min) 1.2.10.5.5.
Final hold (min) 10.5.  30.
I 1066.1030.1025.1047.1035.
ReferencePerestrelo, Fernandes, et al., 2006Fan and Qian, 2005Rizzolo, Cambiaghi, et al., 2005Culleré, Escudero, et al., 2004Narain, Almeida, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxHP-FFAPDB-Wax
Column length (m) 30.30.30.25.30.
Carrier gas H2HeH2HeH2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.50.250.50.50.5
Tstart (C) 50.40.40.45.40.
Tend (C) 200.185.200.220.200.
Heat rate (K/min) 3.4.4.15.4.
Initial hold (min) 10.4.5. 5.
Final hold (min) 10.20.   
I 1057.1028.1044.1038.1032.
ReferenceAlves and Franco, 2003Lee and Noble, 2003López, Ortín, et al., 2003Wanakhachornkrai and Lertsiri, 2003Ferreira, Ortín, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxDB-WaxHP-FFAPDB-WaxFFAP
Column length (m) 60.60.25.30.30.
Carrier gas HeHe H2H2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.50.250.520.50.25
Tstart (C) 40.40.60.40.40.
Tend (C) 180.220.240.200.240.
Heat rate (K/min) 5.3.5.4.3.
Initial hold (min) 5.10.1.5.5.
Final hold (min) 20.10.5.60. 
I 1050.1036.1022.1036.1040.
ReferenceGalindo-Cuspinera, Lubran, et al., 2002Hayata, Sakamoto, et al., 2002Qian and Reineccius, 2002Aznar, López, et al., 2001Ducruet, Fournier, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-FFAPDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.60.30.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.20.2
Phase thickness (mum) 0.50.250.25  
Tstart (C) 40.40.40.50.50.
Tend (C) 200.195.200.180.180.
Heat rate (K/min) 4.5.2.3.3.
Initial hold (min) 5.5. 8.8.
Final hold (min) 60.40.   
I 1036.1031.1025.1043.1048.
ReferenceFerreira, Aznar, et al., 2001Suriyaphan, Drake, et al., 2001Wei, Mura, et al., 2001Franco and Shibamoto, 2000Franco and Shibamoto, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.30.25.25.60.
Carrier gas HeH2HeHeHelium
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 60.60.50.50.50.
Tend (C) 280.245.200.200.230.
Heat rate (K/min) 4.3.4.4.5.
Initial hold (min)  3.4.4.2.
Final hold (min)  20.10.10. 
I 1030.1023.1025.1031.1035.
ReferenceKorány, Mednyánszky, et al., 2000Kotseridis and Baumes, 2000Morales, Duque, et al., 2000Morales, Duque, et al., 2000Paniandy, Chane-Ming, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCP-Wax 52CBCarbowax 20MDB-Wax
Column length (m) 60.60.50.60.60.
Carrier gas NitrogenHeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum)  0.250.220.50.25
Tstart (C) 40.40.60.40.40.
Tend (C) 200.200.190.190.200.
Heat rate (K/min) 2.2.2.2.2.
Initial hold (min) 10.2.4.5.2.
Final hold (min)   21.  
I 1043.1033.1025.1043.1033.
ReferenceTamura, Boonbumrung, et al., 2000Umano, Hagi, et al., 2000Hwan and Chou, 1999Lopez, Ferreira, et al., 1999Umano, Nakahara, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Carbowax 20MCarbowax 20MHP-InnowaxDB-Wax
Column length (m) 60.60.60.25.60.
Carrier gas H2HeHe He
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.50.50.5  
Tstart (C) 35.40.40.35.50.
Tend (C) 250.190.190.250.200.
Heat rate (K/min) 5.2.2.4.3.
Initial hold (min) 5.5.5.  
Final hold (min) 20.   40.
I 1052.1043.1043.1029.1009.
ReferenceCampeanu, Burcea, et al., 1998Ferreira, Ardanuy, et al., 1998Ferreira, Lopez, et al., 1998Ong, Acree, et al., 1998Wada and Shibamoto, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCarbowax 20MCP-Wax 52CB
Column length (m) 30.30.30.80.50.
Carrier gas HeHe  H2
Substrate      
Column diameter (mm) 0.250.250.250.20.32
Phase thickness (mum) 0.250.250.25 0.22
Tstart (C) 20.50.20.70.50.
Tend (C) 200.200.230.170.200.
Heat rate (K/min) 4.4.5.2.2.
Initial hold (min) 4.4.1. 5.
Final hold (min) 10.10.   
I 1025.1010.1018.1025.1030.9
ReferenceMorales, Albarracín, et al., 1996Morales, Albarracín, et al., 1996Christensen and Reineccius, 1995Egolf and Jurs, 1993Chyau, Chen, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MSP-1000DB-WaxDB-WaxDB-Wax
Column length (m) 80.25.60.60.60.
Carrier gas  N2 HeHe
Substrate      
Column diameter (mm) 0.20.20.320.320.32
Phase thickness (mum)  0.43 0.250.25
Tstart (C) 70.60.50.30.30.
Tend (C) 170.190.250.180.180.
Heat rate (K/min) 2.4.4.2.2.
Initial hold (min)   0.14.4.
Final hold (min)  30.5.  
I 1025.1060.1028.1035.1035.
ReferenceAnker, Jurs, et al., 1990De Llano D.G., Ramos M., et al., 1990Binder and Flath, 1989Takeoka and Butter, 1989Takeoka and Butter, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 50.50.50.50.50.
Carrier gas N2N2N2N2N2
Substrate      
Column diameter (mm) 0.220.220.220.220.22
Phase thickness (mum)      
Tstart (C) 80.80.80.80.80.
Tend (C) 200.200.200.200.200.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min)      
Final hold (min)      
I 1035.1037.1035.1037.1035.
ReferenceMihara, Tateba, et al., 1988Mihara, Tateba, et al., 1988Mihara, Tateba, et al., 1988Mihara, Tateba, et al., 1988Mihara, Tateba, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 50.50.50.50.
Carrier gas N2N2N2 
Substrate     
Column diameter (mm) 0.220.220.220.32
Phase thickness (mum)     
Tstart (C) 80.80.80.70.
Tend (C) 200.200.200.180.
Heat rate (K/min) 3.3.3.2.
Initial hold (min)     
Final hold (min)     
I 1037.1035.1037.1028.
ReferenceMihara, Tateba, et al., 1987Mihara, Tateba, et al., 1987Mihara, Tateba, et al., 1987Engel and Tressl, 1983
Comment 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.

Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S., Comparison of determination method for volatile compounds in Thai soy sauce, Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]

Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS., Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka, Nat. Prod. J., 2012, 5, 55-60. [all data]

Siristova, Prinosilova, et al., 2012
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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]

Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M., Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM), African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]

Beck, Higbee, et al., 2008
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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]

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]

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]

Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M., Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS, J. Food Comp. Anal., 2007, 20, 1, 31-44, https://doi.org/10.1016/j.jfca.2006.04.011 . [all data]

Dury-Brun, Fournier, et al., 2007
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Kafkas and Paydas, 2007
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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]

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
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Kishimoto, Wanikawa, et al., 2006
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Komes, Ulrich, et al., 2006
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Perestrelo, Fernandes, et al., 2006
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Fan and Qian, 2005
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Culleré, Escudero, et al., 2004
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Alves and Franco, 2003
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Lee and Noble, 2003
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López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V., Impact odorants of different young white wines from the Canary islands, J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J., Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies, J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645 . [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]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [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]

Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V., Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions, J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u . [all data]

Ducruet, Fournier, et al., 2001
Ducruet, V.; Fournier, N.; Saillard, P.; Feigenbaum, A.; Guichard, E., Influence of packaging on the aroma stability of strawberry syrup during shelf life, J. Agric. Food Chem., 2001, 49, 5, 2290-2297, https://doi.org/10.1021/jf0012796 . [all data]

Ferreira, Aznar, et al., 2001
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Notes

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