2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester


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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1326.Asuming, Beauchamp, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillaryHP-51328.Yáñez, Pinzón, et al., 200250. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C
CapillarySE-541323.Adams, 200030. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillarySE-541322.Adams, 2000, 230. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51322.Adams, 2000, 330. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51323.Adams, 199930. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51323.Andersen, Gagnon, et al., 19952. K/min; Tstart: 40. C; Tend: 210. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1326.Benkaci-Ali, Baaliouamer, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
CapillaryHP-51322.Dehghan, Solaimanian, et al., 200725. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min; Tend: 240. C
CapillaryBP-11299.Duquesnoy, Castola, et al., 200750. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51323.Masoudi, Esmaeili, et al., 200650. m/0.2 mm/0.32 μm, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryDB-51325.Su, Ho, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryDB-11298.Gancel, Ollitrault, et al., 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryMega 5MS1316.Verzera, Trozzi, et al., 200530. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryHP-51324.Ceccarini, Macchia, et al., 200430. m/0.25 mm/0.25 μm, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-11298.Gancel, Ollitrault, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryMega 5MS1316.Verzera, Trozzi, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryHP-11301.Nath, Sarma, et al., 200224. m/0.32 mm/0.17 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryCP Sil 5 CB1305.Pino, Marbot, et al., 200250. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryHP-51323.Alonzo, Bosco, et al., 200030. m/0.20 mm/0.25 μm, He, 60. C @ 8. min, 4. K/min, 180. C @ 2. min
CapillaryOV-1011299.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011302.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryBPX-51332.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201680.Duquesnoy, Castola, et al., 200750. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1678.Gancel, Ollitrault, et al., 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryDB-Wax1678.Gancel, Ollitrault, et al., 200360. m/0.32 mm/0.25 μm, H2, 1.5 K/min, 245. C @ 20. min; Tstart: 40. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1696.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51326.Scrivanti, Anton, et al., 200930. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C
CapillarySLB-5 MS1320.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min
CapillaryHP-5MS1331.Ferhat, Meklati, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillaryDB-11307.Monser-Esfahani, Karamkhani, et al., 200730. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 2.5 K/min, 260. C @ 20. min
CapillaryCP Sil 5 CB1327.Hymete, Rohloff, et al., 200630. m/0.25 mm/0.25 μm, 3. K/min, 220. C @ 3. min; Tstart: 40. C
CapillaryCP Sil 5 CB1306.Lis and Milczarek, 200630. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryHP-5MS1323.Robinson, 200630. m/0.25 mm/0.25 μm, 50. C @ 5. min, 10. K/min; Tend: 250. C
CapillarySPB-11302.Wong, Lim, et al., 200650. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min
CapillaryDB-51310.Yadegarinia, Gachkar, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 250. C
CapillaryHP-5MS1325.Melkani, Dev, et al., 200530. m/0.25 mm/0.25 μm, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillaryDB-51319.de Oliveira, Dias, et al., 2005He, 40. C @ 1. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-5MS1297.Marongiu, Piras, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C
CapillaryDB-51322.da Silva, Luz, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryRTX-51324.Kovacevic and Kac, 200230. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 1. K/min; Tend: 150. C
CapillaryDB-11300.Guy and Vernin, 1996He, 70. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C
CapillaryOV-1011299.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011302.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-11302.Shiota, 199160. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryDB-11305.Shiota, 199160. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1320.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-51323.Blank, Fontes, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 80 0C (1 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (3 min)
CapillaryDB-51323.de Oliveira, Dias, et al., 2005He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillarySE-301306.Vinogradov, 2004Program: not specified
CapillaryHP-11302.Kovacevic and Kac, 200225. m/0.2 mm/0.11 μm; Program: 60C (3min) => 2.5C/min => 190C (1min) => 70C/min => 240V (11min)
CapillaryCP Sil 5 CB1302.Weyerstahl, Marschall, et al., 1999Column length: 25. m; Column diameter: 0.39 mm; Program: not specified
CapillaryCP Sil 5 CB1309.Weyerstahl, Marschall, et al., 1998He; Column length: 25. m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1701.Hymete, Rohloff, et al., 200630. m/0.32 mm/0.25 μm, He, 60. C @ 7. min, 3.3 K/min, 220. C @ 3. min
CapillarySupelcowax-101686.Wong, Lim, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1700.Vinogradov, 2004Program: 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.

Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R., Chemical composition of the essential oil of Psidium caudatum McVaugh, Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712 . [all data]

Adams, 2000
Adams, R.P., Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2 . [all data]

Adams, 2000, 2
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Adams, 2000, 3
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

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Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

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Dehghan, G.; Solaimanian, R.; Shahverdi, A.R.; Amin, G.; Abdollahi, M.; Shafiee, A., Chemical composition and antimicrobial activity of essential oil of Ferula szovitsiana D.C., Flavour Fragr. J., 2007, 22, 3, 224-227, https://doi.org/10.1002/ffj.1789 . [all data]

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Duquesnoy, E.; Castola, V.; Casanova, J., Composition and chemical variability of the twig oil of Abies alba Miller from Corsica, Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796 . [all data]

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Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M., Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran, Flavour Fragr. J., 2006, 21, 5, 801-804, https://doi.org/10.1002/ffj.1722 . [all data]

Su, Ho, et al., 2006
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Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent, J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090 . [all data]

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Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A., Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats., Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7 . [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]

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Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [all data]

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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]

Lo Presti, Sciarrone, et al., 2008
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de Oliveira, Dias, et al., 2005
de Oliveira, R.N.; Dias, I.J.M.; Câmara, C.A.G., Estudo comparativo do óleo essencial de Eugenia punicifolia (HBK) DC. de diferentes localidades de Pernambuco, Rev. Bras. Farmacogn., 2005, 15, 1, 39-43, https://doi.org/10.1590/S0102-695X2005000100009 . [all data]

Marongiu, Piras, et al., 2004
Marongiu, B.; Piras, A.; Porcedda, S., Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) maton, J. Agric. Food Chem., 2004, 52, 20, 6278-6282, https://doi.org/10.1021/jf034819i . [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]

Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M., Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils, Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0 . [all data]

Guy and Vernin, 1996
Guy, I.; Vernin, G., Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols, J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666 . [all data]

Tamura, Yang, et al., 1993
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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]

Blank, Fontes, et al., 2005
Blank, A.F.; Fontes, S.M.; Carvalho Filho, J.L.S.; Alves, P.B.; Silva-Mann, R.; Mendonça, M.C.; Arrigoni-Blank, M.F.; Rodrigues, M.O., Influence of harvest times and drying of leaves on the essential oil of Melissa officinalis L. cultivated in two environments, Rev. Bras. Pl. Med., Botucatu, 2005, 8, 1, 73-78. [all data]

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

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K., Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India, Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1 . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]


Notes

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