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trans-Geranic acid methyl ester


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 NIST Mass Spectrometry Data Center
NIST MS number 412657

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
CapillaryApiezon L150.1270.ter Heide, de Valois, et al., 1975 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-11319.Raharivelomanana, Cambon, et al., 19936. K/min, 240. C @ 10. min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 40. C

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

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Column type Active phase I Reference Comment
CapillaryRTX-51324.Mondello, Zappia, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min
CapillaryMega 5MS1316.Verzera, la Rosa, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryHP-1011284.Chung, Eiserich, et al., 1993N2, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryDB-11302.Flath, Light, et al., 199050. C @ 0.1 min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. 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-5MS1321.7Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryDB-11302.Eri, Khoo, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C
CapillaryBPX-51336.Elmore, Erbahadir, et al., 199750. m/0.32 mm/0.5 «mu»m, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C

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

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Column type Active phase I Reference Comment
CapillaryHP-FFAP1620.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax1677.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-Wax1679.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 250. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5 MS1321.Chalchat, Figueredo, et al., 201025. m/0.30 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryBP-11305.Ottavioli, Bighelli, et al., 200950. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51301.Rahmi-Nasrabadi, Gholivand, et al., 200930. m/0.25 mm/0.25 «mu»m, Nitrogen, 40. C @ 1. min, 3. K/min, 250. C @ 10. min
CapillaryDB-11301.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
CapillaryPolydimethyl siloxane with 5 % Ph groups1326.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1326.Robinson, Adams, et al., 2012Program: not specified
CapillarySiloxane, 5 % Ph1326.VOC BinBase, 2012Program: not specified
CapillaryCP-Sil 5 CB1313.Gros, Nizet, et al., 201150. m/0.32 mm/1.20 «mu»m, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
CapillaryDB-51315.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryHP-5 MS1324.Nance and Setzer, 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillaryPolydimethyl siloxane, 5 % phenyl1326.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryMethyl Silicone1308.Bakshu and Raju, 2002Program: not specified
CapillaryDB-11301.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201678.Ottavioli, Bighelli, et al., 200950. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1629.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: 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.

ter Heide, de Valois, et al., 1975
ter Heide, R.; de Valois, P.J.; Wobben, H.J.; Timmer, R., Analysis of the acid fraction of the reunion geranium oil (Pelargonium graveolens L'Her. ex Ait), J. Agric. Food Chem., 1975, 23, 1, 57-60, https://doi.org/10.1021/jf60197a010 . [all data]

Raharivelomanana, Cambon, et al., 1993
Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G., Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae), J. Essent. Oil Res., 1993, 5, 6, 587-595, https://doi.org/10.1080/10412905.1993.9698289 . [all data]

Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108 . [all data]

Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A., Essential oil composition of different cultivars of bergamot grown in Sicily, Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Flath, Light, et al., 1990
Flath, R.A.; Light, D.M.; Jang, E.B.; Mon, T.R.; John, J.O., Headspace Examination of Volatile Emissions from Ripening Papaya (Carica papaya L., Solo Variety), J. Agric. Food Chem., 1990, 38, 4, 1060-1063, https://doi.org/10.1021/jf00094a032 . [all data]

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

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Elmore, Erbahadir, et al., 1997
Elmore, J.S.; Erbahadir, M.A.; Mottram, D.S., Comparison of dynamic headspace concentration on Tenax with solid phase microextraction for the analysis of aroma volatiles, J. Agric. Food Chem., 1997, 45, 7, 2638-2641, https://doi.org/10.1021/jf960835m . [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]

Chalchat, Figueredo, et al., 2010
Chalchat, J.-C.; Figueredo, G.; Ozcan, M.M.; Unver, A., Effect of hydrodistillation and microwave distillation extraction methods on chemical composition of essential oil of pickling herb and myrtle plants, South Western J. of Agriculture, 2010, 1, 2, 133-141. [all data]

Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y., GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis, Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350 . [all data]

Rahmi-Nasrabadi, Gholivand, et al., 2009
Rahmi-Nasrabadi, M.; Gholivand, M.B.; Batooli, H., Chemical composition of the essential oil from leaves and flowering aerial parts of Haplophyllum robustum Bge. (Rutaceae), Digest J. Nanomaterials Biostructures, 2009, 4, 4, 819-822. [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]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S., Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety, J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Bakshu and Raju, 2002
Bakshu, L.Md.; Raju, R.R.V., Essential oil composition and antimicrobial activity of tuberous roots of Pimpinella tirupatiensis Bal. Subr., an endemic taxon from eastern ghats, India, Flavour Fragr. J., 2002, 17, 6, 413-415, https://doi.org/10.1002/ffj.1118 . [all data]


Notes

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