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Octanoic acid, ethyl ester

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Normal alkane RI, polar column, custom temperature program

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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 Carbowax 20MSupelco CO Wax-10Supelco CO Wax-10Supelco CO Wax-10Innowax
Column length (m)  60.60.60.30.
Carrier gas  HeliumHeliumHeliumHelium
Substrate      
Column diameter (mm)  0.320.320.320.25
Phase thickness (mum)  0.250.250.250.25
Program not specified35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)not specifiednot specifiednot specified
I 1432.1441.1441.1451.1432.
ReferenceLee, Chong, et al., 2012Prompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Siristova, Prinosilova, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCP-Wax 52 CBDB-Wax
Column length (m) 30.30.60. 30.
Carrier gas HeliumHeliumHelium Hydrogen
Substrate      
Column diameter (mm) 0.250.250.25 0.25
Phase thickness (mum) 0.250.250.50 0.25
Program not specifiednot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)
I 1424.1429.1427.1443.1429.
ReferenceWelke, Manfroi, et al., 2012Welke, Manfroi, et al., 2012Miyazaki, Plotto, et al., 2011Povolo, Cabassi, et al., 2011Sampaio, Garruti, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxSupelko CO WaxSupelko CO WaxDB-WaxDB-Wax
Column length (m) 60.60.60.20.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.180.25
Phase thickness (mum) 0.250.250.250.180.25
Program 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)not specified35 0C (1 min) 2.9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min)not specified
I 1442.1449.1451.1425.1428.
ReferenceXiao, Dai, et al., 2011Vekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010Rowan, Hunt, et al., 2009Zhao, Xu, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxPEG 20MSupelcowax-10
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min)40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
I 1446.1405.1446.1429.1438.
ReferenceLi, Tao, et al., 2008Tao, Wenlai, et al., 2008Yongsheng, Hua, et al., 2008Zhang, Zhang, et al., 2008Berard, Bianchi, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10HP-20MDB-WaxDB-Wax
Column length (m) 30.30. 30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.25 0.320.25
Phase thickness (mum) 0.250.25 0.250.25
Program 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)not specified40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
I 1439.1430.1429.1446.1432.
ReferenceBerard, Bianchi, et al., 2007Bosch-Fuste, Riu-Aumatell, et al., 2007Chaieb, Hajlaoui, et al., 2007Li, Tao, et al., 2007Tian, Zhang, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxPEG-20MHP-InnowaxSupelcowax-10CP-Wax 52CB
Column length (m) 30.30.60.30. 
Carrier gas He Nitrogen Hydrogen
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (mum) 0.50.250.250.25 
Program 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min)40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)50 0C (4 min) -> 40 0C 4 0C/min -> 220 0Cnot specifiednot specified
I 1455.1429.1430.1436.1439.
ReferenceWeldegergis B.T., Tredoux A.G.J., et al., 2007Zhang C., Zhang H., et al., 2007Quijano and Pino, 2006Riu-Aumatell, Bosch-Fuste´, et al., 2006Jales, Maia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxInnowaxCarbowax 20MPEG-20M
Column length (m) 60. 60. 30.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.25 0.25 0.25
Phase thickness (mum) 0.25 0.25 0.25
Program 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)not specified50C(10min) => 4C/min => 220C(10min) => 1C/min => 240Cnot specified50C(8min) => 4C/min => 110C => 16C/min => 200C
I 1437.1444.1444.1423.1429.
ReferenceMattheis, Fan, et al., 2005Escudero, Gogorza, et al., 2004Selli, Kürkçüoglu, et al., 2004Vinogradov, 2004Garruti, Franco, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxDB-WaxCP-Wax 52CBSupelcowax-10
Column length (m)  60.30.30.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm)  0.320.320.250.25
Phase thickness (mum)  0.50.50.250.25
Program not specified35C(4min) => 2C/min => 130C => 4C/min => 250C60C(2min) => 2C/min => 220C => 3C/min => 245C(20min)50C(5min) => 7C/min => 180C => 10C/min => 240C(10min)40C(20min) => (1.5C/min) => 200C => (10C/min) => 250C(120min)
I 1423.1422.1429.1431.1401.
ReferenceKrings, Banavara, et al., 2003Qian and Reineccius, 2003Selli, Cabaroglu, et al., 2003Escalona, Birkmyre, et al., 2002Rogerson and de Freitas, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TRWAXCP-Wax 52CBNukolInnowax FSCCarbowax 20M
Column length (m) 60.30.25.60.50.
Carrier gas HeHeN2HeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.2
Phase thickness (mum) 0.250.25 0.250.2
Program not specified50C(5min) => 7C/min => 180C => 10C/min => 240C(10min)45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min)60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C => 2C/min => 150C => 4C/min => 220C
I 1457.1429.1421.1444.1423.
ReferenceTorrens, 2002Escalona, Birkmyre, et al., 2001López and Dufour, 2001Saglam, Gozler, et al., 2001Teai, Claude-Lafontaine, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPPEGDB-FFAPDB-FFAPSupelcowax-10
Column length (m) 25.40.30.30.30.
Carrier gas  Hydrogen  He
Substrate      
Column diameter (mm) 0.320.1820.320.320.32
Phase thickness (mum) 0.30.300.250.250.25
Program 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min)35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)50C(2min) => 7C/min => 140C => 17.5C/min => 230C
I 1432.1436.1423.1423.1423.
ReferenceReiners and Grosch, 1998Vas, Gal, et al., 1998Guth, 1997Guth, 1997Chang, Seitz, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10Supelcowax-10DB-WaxCarbowax 20M
Column length (m) 60.30.30. 50.
Carrier gas He    
Substrate      
Column diameter (mm) 0.250.530.53 0.25
Phase thickness (mum) 0.250.250.25  
Program 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)80C(5min) => 5C/min => 155C => 4C/min => 240C(30min)80C(5min) => 5C/min => 155C => 4C/min => 240C(30min)not specifiednot specified
I 1440.1453.1458.1451.1423.
ReferenceMattheis, Buchanan, et al., 1992Miranda-Lopez, Libbey, et al., 1992Miranda-Lopez, Libbey, et al., 1992Peng, Yang, et al., 1991Shibamoto, 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MCarbowax 20M
Column length (m) 60.60.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum)   
Program not specifiednot specified
I 1441.1445.
ReferenceFagan, Kepner, et al., 1982Fagan, Kepner, et al., 1982
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q., Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts, Uncorrected proof, 2012, 000-000. [all data]

Prompona, Kandylis, et al., 2012
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Welke, Manfroi, et al., 2012
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Miyazaki, Plotto, et al., 2011
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Vekiari, Orepoulou, et al., 2010
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Li, Tao, et al., 2008
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Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z., Volatile composition of young Cabernet Savignon red wine from Changli Counti (China), J. Food Composition and Analysis, 2008, 21, 8, 689-694, https://doi.org/10.1016/j.jfca.2008.05.007 . [all data]

Zhang, Zhang, et al., 2008
Zhang, C.; Zhang, H.; Wang, L.; Guo, X., Effect of carrot (Daucus carota) antifreeze proteins on texture preperties of frozen dough and volatile compounds of crumb, Food. Sci. Technol. (Lebesmittel-Wissenschaft und Technologie), 2008, 41, 6, 1029-1036, https://doi.org/10.1016/j.lwt.2007.07.010 . [all data]

Berard, Bianchi, et al., 2007
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Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L., Impact odorants of Chardonnay dry white wine from Changli County (China), Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9 . [all data]

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Selli, Kürkçüoglu, et al., 2004
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Garruti, Franco, et al., 2003
Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Alves, G.L., Evaluation of volatile flavour compounds from cashew apple (Anacardium occidentale L) juice by the Osme gas chromatography/olfactometry technique, J. Sci. Food Agric., 2003, 83, 14, 1455-1462, https://doi.org/10.1002/jsfa.1560 . [all data]

Krings, Banavara, et al., 2003
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Qian and Reineccius, 2003
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Selli, Cabaroglu, et al., 2003
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Escalona, Birkmyre, et al., 2002
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Rogerson and de Freitas, 2002
Rogerson, F.S.S.; de Freitas, V.A.P., Fortification spirit, a contributor to the aroma complexity of port, J. Food Sci., 2002, 67, 4, 1564-1569, https://doi.org/10.1111/j.1365-2621.2002.tb10323.x . [all data]

Torrens, 2002
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Escalona, Birkmyre, et al., 2001
Escalona, H.; Birkmyre, L.; Piggott, J.R.; Paterson, A., Relationship between sensory perception volatile and phenolic components in commercial Spanish red wines from different regions, J. Inst. Brew., 2001, 107, 3, 157-166, https://doi.org/10.1002/j.2050-0416.2001.tb00087.x . [all data]

López and Dufour, 2001
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Saglam, Gozler, et al., 2001
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Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Reiners and Grosch, 1998
Reiners, J.; Grosch, W., Odorants of virgin olive oils with different flavor profiles, J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b . [all data]

Vas, Gal, et al., 1998
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Notes

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