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3-Hexenal, (Z)-


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 CP Wax 52 CBTC-WAXDB-WaxDB-WaxDB-Wax
Column length (m) 30.60.15.60.30.
Carrier gas HeliumHeliumHeH2H2
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.50 0.250.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 230.230.230.230.200.
Heat rate (K/min) 4.3.6.4.4.
Initial hold (min) 2.3. 5.5.
Final hold (min) 15. 20.25. 
I 1154.1149.1148.1138.1158.
ReferenceBirtic, Ginies, et al., 2009Miyazawa, Tomita, et al., 2009Kishimoto, Wanikawa, et al., 2006Dregus and Engel, 2003López, Ortín, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10BP-20DB-WaxDB-Wax
Column length (m) 30.30.50.30.60.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.50.25
Tstart (C) 40.40.45.40.40.
Tend (C) 200.200.230.240.200.
Heat rate (K/min) 3.3.3.7.2.
Initial hold (min) 10.10.1. 2.
Final hold (min)   10.5. 
I 1137.1133.1126.1147.1130.
ReferenceVichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Darriet, Pons, et al., 2002Lin, Rouseff, et al., 2002Umano, Hagi, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase EC-1000DB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.25.25.60.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 35.50.50.50.50.
Tend (C) 230.220.200.200.230.
Heat rate (K/min) 5.4.4.4.5.
Initial hold (min) 5.3.4.4.2.
Final hold (min) 15. 10.10. 
I 1160.1114.1134.1138.1139.
ReferenceBendall, 2001Weckerle, Bastl-Borrmann, et al., 2001Morales, 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-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.50.250.251.0.25
Tstart (C) 34.34.40.50.50.
Tend (C) 200.200.200.200.230.
Heat rate (K/min) 5.5.2.3.2.
Initial hold (min) 3.3.2.  
Final hold (min) 10.10. 40. 
I 1161.1131.1139.1131.1135.
ReferenceSchlüter, Steinhart, et al., 1999Schlüter, Steinhart, et al., 1999Umano, Nakahara, et al., 1999Horiuchi, Umano, et al., 1998Ravichandran and Parthiban, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxCarbowax 20MSupelcowax-10DB-Wax
Column length (m) 60.60.15.60.60.
Carrier gas H2H2 HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 0.250.5 0.250.25
Tstart (C) 60.50.50.40.30.
Tend (C) 220.180.225.200.180.
Heat rate (K/min) 3.1.56.3.2.
Initial hold (min)   3.3.4.
Final hold (min)    30. 
I 1135.1147.1145.1146.1138.
ReferenceWerkhoff, Güntert, et al., 1998Ulrich, Hoberg, et al., 1997Roberts and Acree, 1996Wong and Lai, 1996Takeoka and Butter, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.320.320.320.3220.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 30.30.30.50.30.
Tend (C) 180.180.180.230.180.
Heat rate (K/min) 2.2.2.4.2.
Initial hold (min) 4.4.4. 2.
Final hold (min)      
I 1138.1145.1145.1138.1142.
ReferenceTakeoka and Butter, 1989Takeoka and Butter, 1989Takeoka and Butter, 1989Engel, Flath, et al., 1988Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-WaxCarbowax 20M
Column length (m) 60.50.
Carrier gas H2Hydrogen
Substrate   
Column diameter (mm) 0.250.20
Phase thickness (mum) 0.25 
Tstart (C) 30.50.
Tend (C) 180.200.
Heat rate (K/min) 2.1.
Initial hold (min) 2. 
Final hold (min)  35.
I 1142.1176.
ReferenceTakeoka, Flath, et al., 1988Wu, Liou, et al., 1987
Comment 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.

Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D., Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines, J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062 . [all data]

Miyazawa, Tomita, et al., 2009
Miyazawa, N.; Tomita, N.; Kurobayashi, Y.; Nakanishi, A.; Ohkubo, Y.; Maeda, T.; Fujita, A., Novel character impact compounds in Yuzu (Citrus junos Sieb. ex Tanaka) Peel oil, J. Agric. Food Chem., 2009, 57, 5, 1990-1996, https://doi.org/10.1021/jf803257x . [all data]

Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K., Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties, J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

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]

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]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D., Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae, J. Agric. Food Chem., 2002, 50, 11, 3277-3282, https://doi.org/10.1021/jf011527d . [all data]

Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M., Aroma composition changes in early season grapefruit juice produced from thermal concentration, J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Bendall, 2001
Bendall, J.G., Aroma compounds of fresh milk from New Zealand cows fed different diets, J. Agric. Food Chem., 2001, 49, 10, 4825-4832, https://doi.org/10.1021/jf010334n . [all data]

Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P., Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis, Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012 . [all data]

Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E., Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro), J. Hi. Res. Chromatogr., 2000, 23, 5, 379-385, https://doi.org/10.1002/(SICI)1521-4168(20000501)23:5<379::AID-JHRC379>3.0.CO;2-B . [all data]

Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C., Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.), J. Essent. Oil Res., 2000, 12, 153-158. [all data]

Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M., Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed, J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604 . [all data]

Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T., Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger, J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i . [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

Ravichandran and Parthiban, 1998
Ravichandran, R.; Parthiban, R., The impact of processing techniques on tea volatiles, Food Chem., 1998, 62, 3, 347-353, https://doi.org/10.1016/S0308-8146(97)00229-X . [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s . [all data]

Ulrich, Hoberg, et al., 1997
Ulrich, D.; Hoberg, E.; Rapp, A.; Kecke, S., Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds, Z. Lebensm. Unters. Forsch. A, 1997, 205, 3, 218-223, https://doi.org/10.1007/s002170050154 . [all data]

Roberts and Acree, 1996
Roberts, D.D.; Acree, T.E., Effects of heating and cream addition on fresh raspberry aroma using a retronasal aroma simulator and gas chromatography olfactometry, J. Agric. Food Chem., 1996, 44, 12, 3919-3925, https://doi.org/10.1021/jf950701t . [all data]

Wong and Lai, 1996
Wong, K.C.; Lai, F.Y., Volatile constituents from the fruits of four Syzygium species grown in Malaysia, Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1 . [all data]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]

Engel, Flath, et al., 1988
Engel, K.-H.; Flath, R.A.; Buttery, R.G.; Mon, T.R.; Ramming, D.W.; Teranishi, R., Investigation of volatile constituents in nectarines. 1. Analytical and sensory characterization of aroma components in some nectarine cultivars, J. Agric. Food Chem., 1988, 36, 3, 549-553, https://doi.org/10.1021/jf00081a036 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Wu, Liou, et al., 1987
Wu, C.-M.; Liou, S.-E.; Chang, Y.-H.; Chiang, W., Volatile compounds of the wax gourd (Benincasa hispida, Cogn) and a wax gourd beverage, J. Food Sci., 1987, 52, 1, 132-134, https://doi.org/10.1111/j.1365-2621.1987.tb13988.x . [all data]


Notes

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