1,5-Heptadien-4-one, 3,3,6-trimethyl-


Gas Chromatography

Go To: Top, References, Notes

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
CapillaryDB-51061.Asfaw, Licence, et al., 200510. m/0.1 mm/0.1 μm, He, 60. C @ 5. min, 5. K/min, 240. C @ 10. min

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS1059.Tuberoso, Kowalczyk, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)
CapillaryOV-11049.El-Shazly, Dorai, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C

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

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Column type Active phase I Reference Comment
CapillaryRTX-11041.Muselli, Rossi, et al., 200760. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-5MS1064.Vagionas, Ngassapa, et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-51062.Esmaeili, Nematollahi, et al., 200650. m/0.2 mm/0.32 μm, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryDB-11069.Agnaniet, Makani, et al., 200530. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-11040.Dob, Dahmane, et al., 200530. m/0.32 mm/0.25 μm, 50. C @ 8. min, 2. K/min; Tend: 250. C
CapillaryDB-51070.Senatore, Napolitano, et al., 200530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-51062.Ngassapa, Runyoro, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1061.Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1348.Muselli, Rossi, et al., 200760. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-20M1328.Jerkovic, Mastelic, et al., 200350. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1064.Jian-Yu, Zhu, et al., 201230. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 3. min
CapillaryHP-51062.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryRTX-11044.Museli, Pau, et al., 200960. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryRTX-11046.Museli, Pau, et al., 200960. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-5 MS1062.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-11044.Filippi, Lanfranchi, et al., 200650. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C
CapillaryMethyl Silicone1088.Kitchlu, Bakshi, et al., 200625. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 7. K/min; Tend: 220. C
CapillaryNB-301040.Orav, Raal, et al., 200630. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-51060.Chagonda and Chalchat, 200550. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C
CapillaryRSL-2001062.Jirovetz, Buchbauer, et al., 200530. m/0.25 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 280. C @ 10. min
CapillaryDB-51060.Salehi, Sefidkon, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 3. K/min; Tend: 220. C
CapillaryDB-51062.Rohloff, Mordal, et al., 200430. m/0.25 mm/0.25 μm, He, 2.5 K/min, 220. C @ 6. min; Tstart: 35. C
CapillaryRSL-2001062.Jirovetz, Buchbauer, et al., 200330. m/0.25 mm/0.25 μm, H2, 40. C @ 2. min, 6. K/min, 280. C @ 10. min
CapillaryNB-301046.Raal, Arak, et al., 200350. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryBP-11047.Das, Ram, et al., 200225. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryDB-11045.Palá-Paúl, Pérez-Alonso, et al., 200250. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C
CapillaryDB-5MS1050.Cherchi, Deidda, et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryOV-1011044.Orav, Kailas, et al., 200150. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11039.Palá-Paúl, Pérez-Alonso, et al., 200130. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C
CapillaryDB-51062.Tellez M., Estell R., et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51062.Simic, Andjelkovic, et al., 200060. m/0.25 mm/0.30 μm, Hydrogen or helium (He2 wrote in original paper), 4.3 K/min; Tstart: 60. C; Tend: 285. C
CapillaryDB-11040.Palá-Paúl, Pérez-Alonso, et al., 199950. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 240. C
CapillaryDB-51063.Tellez, Canel, et al., 199930. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51061.Tellez, Estell, et al., 199730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillarySLB-5 MS1041.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1042.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5 MS1062.Liu, Chu, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
CapillaryOptima-5MS1057.HEuskin, Godin, et al., 200930. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min)
CapillaryHP-11062.Merle, Verdeguer, et al., 200730. m/0.2 mm/0.33 μm, He; Program: 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min)
CapillaryBPX-51071.Salamci, Kordali, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C
CapillaryCP Sil 8 CB1062.Judzentiene and Buzelyte, 200650. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
CapillarySE-521062.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
Capillary 1048.El-Shazily, Hafez, et al., 2004Program: not specified
CapillarySE-301059.Vinogradov, 2004Program: not specified
CapillarySE-301059.Vinogradov, 2004Program: not specified
CapillaryCP Sil 8 CB1062.Mockute and Judzentiene, 200350. m/0.32 mm/0.25 μm, He; Program: 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)
CapillaryCP Sil 5 CB1049.Weyerstahl, Marschall, et al., 1997N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolydimethyl siloxanes1059.Zenkevich, 1997Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-Wax1325.Museli, Pau, et al., 200960. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-20M1320.Filippi, Lanfranchi, et al., 200650. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; Tstart: 60. C
CapillaryNB-20M1344.Orav, Raal, et al., 200630. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillarySW-101348.Raal, Arak, et al., 200350. m/0.20 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryPEG-20M1348.Orav, Kailas, et al., 2001He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 250. C
CapillaryDB-Wax1346.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1358.Merle, Verdeguer, et al., 2007He; Column length: 30. m; Program: 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min)
CapillaryHP Innowax FSP1358.Tabanca N., Demirci B., et al., 200760. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1358.Demirci B., Baser K.H.C., et al., 200660. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1358.Iscan, Kirimer, et al., 200660. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1345.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax1358.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryCP-Wax 52CB1335.Vernin, 1991Column length: 50. m; Column diameter: 0.32 mm; Program: 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.

Asfaw, Licence, et al., 2005
Asfaw, N.; Licence, P.; Novitskii, A.; Poliakoff, M., Green Chemistry in Ethiopia: the cleaner extraction of essential oils from Artemisia afra: a comparison of clean technology with conventional methodology, Green Chem., 2005, 7, 5, 352-356, https://doi.org/10.1039/b417961g . [all data]

Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [all data]

El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M., Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (DC.) Feinbr. and Fertig, Z. Naturforsch., 2002, 57c, 620-623. [all data]

Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J., Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica, Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787 . [all data]

Vagionas, Ngassapa, et al., 2007
Vagionas, K.; Ngassapa, O.; Runyoro, D.; Graikou, K.; Gortzi, O.; Chinou, I., Chemical analysis of edible aromatic plants growing in Tanzania, Food Chem., 2007, 105, 4, 1711-1717, https://doi.org/10.1016/j.foodchem.2007.05.029 . [all data]

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Esmaeili, A.; Nematollahi, F.; Rustaiyan, A.; Moazami, N.; Masoudi, S.; Bamasian, S., Volatile constituents of Achillea pachycephala, A. oxyodonta and A. biebersteinii from Iran, Flavour Fragr. J., 2006, 21, 2, 253-256, https://doi.org/10.1002/ffj.1571 . [all data]

Agnaniet, Makani, et al., 2005
Agnaniet, H.; Makani, T.; Akagah, A.; Menut, C.; Bessière, J.M., Volatile constituents and antioxidant activity of essential oils from Lippia multiflora Mold. growing in Gabon, Flavour Fragr. J., 2005, 20, 1, 34-38, https://doi.org/10.1002/ffj.1383 . [all data]

Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C., Chemical composition of the essential oil of Artemisia campestris L. from Algeria, Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664 . [all data]

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Senatore, F.; Napolitano, F.; Arnold, N.A.; Bruno, M.; Herz, W., Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae), Flavour Fragr. J., 2005, 20, 3, 291-294, https://doi.org/10.1002/ffj.1411 . [all data]

Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B., Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae), Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195 . [all data]

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Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

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Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Vagionas, Graikou, et al., 2007
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Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

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Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G., Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India), Flavour Fragr. J., 2006, 21, 4, 690-692, https://doi.org/10.1002/ffj.1674 . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C., The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe, Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402 . [all data]

Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Georgiev, E.V.; Damianova, S.T., Composition, quality control and antimicrobial activity of the essential oil of cumin (Cuminum cyminumL.) seeds from Bulgaria that had been stored for up to 36 years, Int. J. Food Sci. Technol., 2005, 40, 3, 305-310, https://doi.org/10.1111/j.1365-2621.2004.00915.x . [all data]

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Das, Ram, et al., 2002
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Palá-Paúl, Pérez-Alonso, et al., 1999
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Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O., Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L, Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8 . [all data]

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Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M., Essntial oil of Flourensia cernua DC, J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799 . [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Liu, Chu, et al., 2010
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Notes

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