1-Octen-3-yl-acetate


Mass spectrum (electron ionization)

Go To: Top, Gas Chromatography, 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

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
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NIST MS number 352746

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Gas Chromatography

Go To: Top, Mass spectrum (electron ionization), 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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30120.1089.Tudor and Moldovan, 1999 
CapillarySE-30100.1089.5Tudor, 199740. m/0.35 mm/0.35 μm
PackedSE-30150.1083.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
CapillarySE-541111.Adams, 200030. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51110.Adams, 2000, 230. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51110.da Silva, Zoghbi, et al., 199930. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51110.Adams, 199830. m/0.26 mm/0.25 μm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1392.Tudor, Moldovan, et al., 1999Phase thickness: 0.08 μm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51112.Benzo, Gilardoni, et al., 200730. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 250. C @ 10. min
CapillaryHP-5MS1112.Saroglou, Arfan, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-5MS1116.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-5MS1119.Seo and Baek, 200560. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 20. min; Tstart: 40. C
CapillarySPB-11094.Moldão-Martins, Beirão-da-Costa, et al., 200430. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C
CapillaryRTX-51114.Mondello, Zappia, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min
CapillaryRTX-51110.Shellie, Mondello, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C
CapillaryRTX-51120.Shellie, Mondello, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C
CapillaryHP-51111.Aligiannis, Kalpoutzakis, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1104.9Tret'yakov, 200830. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillarySE-521114.Bruni, Bianchi, et al., 200730. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
CapillaryDB-11097.Suliman F.E.O., Fatope M.O., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 200C => 5C/min => 240C
CapillarySE-521113.Sacchetti, Medici, et al., 200430. m/0.52 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillarySE-521115.Lorenzo, Paz, et al., 200230. m/0.32 mm/0.42 μm, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1379.Kourkoutas, Elmore, et al., 200660. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 250. C
CapillaryRTX-Wax1368.Mondello, Zappia, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 250. C @ 10. min

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

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1380.Bisio, Ciarallo, et al., 199830. m/0.25 mm/0.25 μm, He; Program: 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C
CapillaryDB-Wax1401.9Yang, Chyau, et al., 1998He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C
CapillaryDB-Wax1401.9Yang, Chyau, et al., 1998He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51111.Cavar, Maksimovic, et al., 201030. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5 MS1106.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-5 MS1106.Shimizu, Imayoshi, et al., 200930. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min
CapillaryDB-11094.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
CapillaryHP-5 MS1113.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-11092.Hadian, Sonboli, et al., 200660. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryCP Sil 5 CB1099.Tesso, König, et al., 2006H2, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C
CapillaryDB-51108.Najafpour Navaei, Mirza, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 250. C
CapillaryDB-51094.Tzakou and Constantinidis, 200530. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryBP-11093.Mallavarapu, Kulkarni, et al., 200425. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryBPX-51113.Vilaseca, Guy, et al., 200425. m/0.22 mm/1. μm, He, 60. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryHP-51097.Pitarokili, Tzakou, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-11094.Cavaleiro, Salgueiro, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C
CapillaryOV-1011100.Kuiate, Bessière, et al., 2002He, 5. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryBP-11115.Mohagheghzadeh, Shams-Ardakani, et al., 200025. m/0.33 mm/1.0 μm, N2, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryHP-51111.Mohagheghzadeh, Shams-Ardakani, et al., 2000, 230. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryDB-11086.Salgueiro, Vila, et al., 19976. K/min; Tstart: 80. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11086.Mendes, Trindade, et al., 200930. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryDB-11086.Mendes, Trindade, et al., 2009, 230. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryCP Sil 8 CB1113.Mockute, Bernotiene, et al., 200750. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min)
CapillaryDB-11086.Figueiredo A.C., Barroso J.G., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
CapillarySE-521113.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryBP-51115.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-51113.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: not specified
CapillaryDB-11086.Figueiredo, Sim-Sim, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
CapillaryDB-11086.Miguel, Simões, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
CapillaryDB-51110.Vilaseca, Guy, et al., 2004Program: not specified
CapillarySE-301094.Vinogradov, 2004Program: not specified
CapillaryHP-51105.Aparicio, Romero, et al., 200130. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-11086.Figueiredo, Miguel, et al., 200130. m/0.25 mm/0.25 μm; Program: 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)
CapillaryDB-51100.Storer, Elmore, et al., 199330. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min)

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1379.Shimizu, Imayoshi, et al., 200960. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min
CapillaryBP-201380.Mallavarapu, Kulkarni, et al., 200425. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax1379.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax1385.Mölleken, Sinnwell, et al., 199830. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 220. C
CapillaryTC-Wax1373.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1365.Vinogradov, 2004Program: not specified

References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D., Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation, J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4 . [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

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]

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 Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7 . [all data]

da Silva, Zoghbi, et al., 1999
da Silva, M.H.L.; Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., The essential oils of Peperomia pellucida Kunth and P. circinnata link var. circinnata, Flavour Fragr. J., 1999, 14, 5, 312-314, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<312::AID-FFJ835>3.0.CO;2-B . [all data]

Adams, 1998
Adams, R.P., The essential oils and chemotaxonomy of Juniperus sect. Juniperus, Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9 . [all data]

Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 1999, 44, 7, 665-675. [all data]

Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P., Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique, J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031 . [all data]

Saroglou, Arfan, et al., 2007
Saroglou, V.; Arfan, M.; Shabir, A.; Hadjipavlou-Litina, D.; Skaltsa, H., Composition and antioxidant activity of the essential oil of Teucrium royleanum Wall. ex Benth growing in Pakistan, Flavour Fragr. J., 2007, 22, 2, 154-157, https://doi.org/10.1002/ffj.1774 . [all data]

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Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

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Seo, W.H.; Baek, H.H., Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.), J. Agric. Food Chem., 2005, 53, 17, 6766-6770, https://doi.org/10.1021/jf050150z . [all data]

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Shellie, Mondello, et al., 2002
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Tret'yakov, 2008
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Bruni, Bianchi, et al., 2007
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Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K., Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC, Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938 . [all data]

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Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I., Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania, Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051 . [all data]

Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H., Essential oil composition of Nepeta satureioides from Iran, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0 . [all data]

Tesso, König, et al., 2006
Tesso, H.; König, W.A.; Son, P.T.; Giang, P.M., Composition of the essential oil of flowers of Chloranthus spicatus (Thunb.) Makino, Flavour Fragr. J., 2006, 21, 4, 592-597, https://doi.org/10.1002/ffj.1528 . [all data]

Najafpour Navaei, Mirza, et al., 2005
Najafpour Navaei, M.; Mirza, M.; Dini, M., Chemical composition of the essential oil of Plumbago europaea L. roots from Iran, Flavour Fragr. J., 2005, 20, 2, 213-214, https://doi.org/10.1002/ffj.1384 . [all data]

Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T., Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus, Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008 . [all data]

Mallavarapu, Kulkarni, et al., 2004
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Ramesh, S., The essential oil composition of anise hyssop grown in India, Flavour Fragr. J., 2004, 19, 4, 351-353, https://doi.org/10.1002/ffj.1316 . [all data]

Vilaseca, Guy, et al., 2004
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Notes

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