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Hexanoic acid, 3-hexenyl ester, (Z)-


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30150.1333.Ashes and Haken, 1975He, Celatom silanized (62-72 mesh); Column length: 3.7 m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-1011364.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011370.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1631.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1638.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1365.Pino, Marbot, et al., 200250. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB1364.Pino and Marbot, 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB1364.Pino, Marbot, et al., 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryDB-11362.Brat, Brillouet, et al., 200030. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryHP-51380.Ruther, 200030. m/0.32 mm/0.25 «mu»m, 40. C @ 4. min, 3. K/min; Tend: 280. C
CapillaryDB-51379.Gómez, Ledbetter, et al., 1993He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryCP Sil 5 CB1355.Hendriks and Bruins, 19834. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 205. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryAT-Wax1642.Pino, Marbot, et al., 200260. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryAT-Wax1645.Pino and Marbot, 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryAT-Wax1642.Pino, Marbot, et al., 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryDB-Wax1643.Ruther, 200030. m/0.32 mm/0.25 «mu»m, 40. C @ 4. min, 3. K/min; Tend: 230. C
CapillaryDB-Wax1665.Sumitani, Suekane, et al., 1994He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1646.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1648.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryCarbowax 20M1626.Chen, Kuo, et al., 1982He, 50. C @ 10. min, 1. K/min; Tend: 160. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51382.Pino, Sauri-Duch, et al., 200630. m/0.25 mm/0.25 «mu»m, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min
CapillaryDB-51386.da Silva, Luz, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-11362.Binder and Flath, 198950. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-5 MS1369.Zhu, Li, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
CapillaryDB-5 MS1376.Zhu, Li, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
CapillarySE-301370.Vinogradov, 2004Program: not specified
CapillaryHP-51381.Jordán, Margaría, et al., 200330. m/0.25 mm/0.25 «mu»m; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C
CapillaryHP-51375.Jordán, Goodner, et al., 200230. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-11360.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-11360.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-11360.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPEG-20M1635.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 «mu»m, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryCarbowax 20M1626.Kawakami, Ganguly, et al., 199560. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryPEG-20M1625.Togari, Kobayashi, et al., 199550. m/0.25 mm/0.15 «mu»m, He, 60. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryPEG-20M1625.Togari, Kobayashi, et al., 199550. m/0.25 mm/0.15 «mu»m, He, 60. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax1651.Binder and Flath, 198950. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-Innowax FSC1662.Demirci and Baser, 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1662.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1654.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC1662.Demirci, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1647.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryPolyethylene Glycol1647.MacLeod and Pieris, 1981Program: not specified

References

Go To: Top, Gas Chromatography, Notes

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

Ashes and Haken, 1975
Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. IX. Structure-retention increments of unsaturated esters, J. Chromatogr., 1975, 111, 1, 171-187, https://doi.org/10.1016/S0021-9673(01)80159-X . [all data]

Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Brat, Brillouet, et al., 2000
Brat, P.; Brillouet, J.-M.; Reynes, M.; Cogat, P.-O.; Ollé, D., Free volatile components of passion fruit puree obtained by flash vacuum-expansion, J. Agric. Food Chem., 2000, 48, 12, 6210-6214, https://doi.org/10.1021/jf000645i . [all data]

Ruther, 2000
Ruther, J., Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X . [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P., A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices, Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607 . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]

Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M., Headspace components of passion fruit juice, J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052 . [all data]

Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R., Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages, Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040 . [all data]

da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S., Essential oils of the leaves and stems of four Psidium spp., Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H., Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption, Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [all data]

Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E., Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O, J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p . [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]

Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S., Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique, Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009 . [all data]

Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [all data]

Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T., Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories, Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1 . [all data]

Demirci and Baser, 2004
Demirci, F.; Baser, K.H.C., The volatiles of fresh-cut Osyris alba L. flowers, Flavour Fragr. J., 2004, 19, 1, 72-73, https://doi.org/10.1002/ffj.1299 . [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C., Composition of the essential oil of Cotinus coggygria Scop. from Turkey, Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149 . [all data]

MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M., Volatile flavor components of beli fruit (Aegle marmelos) and a processed product, J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040 . [all data]


Notes

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