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Butanoic acid, 3-hexenyl ester, (E)-


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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin FOOD RESEARCH REPORT 120, K.E. MURRAY & COLLEAGUES, DIV. OF FOOD RESEARCH, CSIRO, AUSTRALIA
NIST MS number 53541

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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-30100.1169.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.1148.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30140.1166.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1171.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30150.1146.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
CapillarySF96+Igepal1163.Palma-Fleming and Kepner, 19831. K/min; Column length: 127. m; Column diameter: 0.75 mm; Tstart: 70. C; Tend: 190. C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351100.1452.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351120.1457.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1467.Palma-Fleming and Kepner, 19831. K/min; Column length: 59. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 190. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1185.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, 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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1466.Sumitani, Suekane, et al., 1994He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1185.Yasuda, Shigehisa, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 10. K/min, 250. C @ 5. min
CapillaryRTX-11166.Lis, Boczek, et al., 200430. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 60. C; Tend: 300. C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1454.Yasuda, Shigehisa, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 10. K/min, 240. C @ 5. min
CapillaryDB-Wax1452.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryPEG-20M1431.Togari, Kobayashi, et al., 199550. m/0.25 mm/0.15 «mu»m, He, 60. C @ 4. min, 2. K/min; Tend: 180. C

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.

Haken, Madden, et al., 1985
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXI. Butanoyl and monochlorobutanoyl esters of lower saturated branched chain and unsaturated alcohols on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 325, 61-73, https://doi.org/10.1016/S0021-9673(00)96008-4 . [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]

Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E., Volatile components of California live oak, Quercus agrifolia, Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9 . [all data]

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

Yasuda, Shigehisa, et al., 2008
Yasuda, T.; Shigehisa, S.; Yuasa, K.; Okutani-Akamatsu, Y.; Teramoto, N.; Watanabe, T.; Mochizuki, F., Sex attactant pheromone of the sorghum plant bug Stenotus rubrovittatus (Natsumura) (Heteroptera: Miridae), Appl. Entomol. Zool., 2008, 43, 2, 219-226, https://doi.org/10.1303/aez.2008.219 . [all data]

Lis, Boczek, et al., 2004
Lis, A.; Boczek, E.; Góra, J., Chemical composition of the essential oils from fruits, leaves and flowers of the Amur cork tree (Phellodendron amurense Rupr.), Flavour Fragr. J., 2004, 19, 6, 549-553, https://doi.org/10.1002/ffj.1349 . [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]

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]


Notes

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