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Benzeneacetaldehyde, «alpha»-ethylidene-


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 TNO Volatile Compounds in Food - Chemical Concepts
NIST MS number 249256

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, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1281.Alissandrakis E., Tarantilis P.A., et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 3C/min => 160C => 10C/min => 200C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51287.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1274.4Andriamaharavo, 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-51273.Beal and Mottram, 199430. m/0.32 mm/1.0 «mu»m, He; Program: 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1911.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCP-Wax 52CB1932.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-101906.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillarySupelcowax-101939.Chung, 200060. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C
CapillarySupelcowax-101939.Chung, 200060. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C
CapillarySupelcowax-101939.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryPEG-20M1922.Shimoda, Nakada, et al., 199760. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1922.Shimoda, Shiratsuchi, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryCP-WAX 57CB1913.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1907.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillaryBP-201972.Beal and Mottram, 199450. m/0.32 mm/0.5 «mu»m, He; Program: 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 200 0C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1268.Kim and Chung, 200930. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryDB-51291.Fadel, Mageed, et al., 2006He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryHP-11240.Bendimerad and Bendiab, 200550. m/0.2 mm/0.5 «mu»m, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C
CapillaryHP-51265.Boylston and Viniyard, 199850. m/0.32 mm/0.52 «mu»m, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
CapillaryDB-11232.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11233.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11233.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11234.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51310.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
CapillaryHP-51283.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
CapillaryCP Sil 5 CB1237.Counet, Ouwerx, et al., 200450. m/0.32 mm/1.2 «mu»m; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillaryCP Sil 5 CB1242.Counet, Callemien, et al., 200250. m/0.32 mm/1.2 «mu»m; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
CapillaryHP-5MS1276.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryDB-51279.Matsui, Guth, et al., 199830. m/0.32 mm/0.25 «mu»m, He; Program: 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryAT-Wax1961.Kiss, Csoka, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryInnowax1896.Bendimerad and Bendiab, 200550. m/0.2 mm/0.5 «mu»m, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C
CapillaryTC-Wax1939.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 «mu»m, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryTC-Wax1947.Miyazawa and Okuno, 2003He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryCarbowax 20M1910.Buttery, Ling, et al., 198350. C @ 30. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1933.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryFFAP1916.Matsui, Guth, et al., 199830. m/0.32 mm/0.25 «mu»m, He; Program: 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C

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.

Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M., Comparison of the volatile composition in thyme honeys from several origins in Greece, J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y . [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

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

Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S., Compounds contributing to the characteristic aroma of malted barley, J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

Chung, 2000
Chung, H.Y., Volatile flavor components in red fermented soybean (Glycine max) curds, J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s . [all data]

Chung, 1999
Chung, H.Y., Volatile components in fermented soybean (Glycine max) curds, J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a . [all data]

Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N., Cocoa substitute: Evaluation of sensory qualities and flavour stability, Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3 . [all data]

Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T., Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T., Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]

Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R., Effect of pH on the volatiles of hydrolyzed protein insect baits, J. Agric. Food Chem., 1989, 37, 3, 814-819, https://doi.org/10.1021/jf00087a053 . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Counet, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S., Relationship between procyanidin and flavor contents of cocoa liquors from different origins, J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b . [all data]

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W., A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH), Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W . [all data]

Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K., Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary, J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]

Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A., Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles, Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322 . [all data]

Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y., Volatile components from the roots of Scrophularia ningpoensis Hemsl., Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232 . [all data]

Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R., Insect attractants: volatiles of hydrolizyed protein insect baits, J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003 . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]


Notes

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