Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

2,4-Octadienal, (E,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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 249490

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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51115.Baccouri, Ben Temime, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51115.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryDB-5MS1116.Whetstine M.E.C., Drake M.A., et al., 200630. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 200. C @ 45. min
CapillaryHP-5MS1113.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-51115.Flamini, Luigi Cioni, et al., 200430. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-51115.Ertugrul, Dural, et al., 200330. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-51115.Flamini, Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51115.Flamini, Luigi Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-541115.Schuh and Schieberle, 200630. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillaryDB-5MS1111.Varlet V., Knockaert C., et al., 200630. m/0.32 mm/0.5 «mu»m, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)
CapillaryHP-51124.Boué, Shih, et al., 200350. m/0.2 mm/0.5 «mu»m, He; Program: 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min)
CapillaryDB-51113.Triqui and Reineccius, 199530. m/0.25 mm/1. «mu»m, He; Program: 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min)
CapillarySE-541110.Triqui and Reineccius, 1995Program: 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min)
CapillarySE-541110.Triqui and Reineccius, 1995, 230. m/0.32 mm/0.3 «mu»m, He; Program: 35C (2min) => 40 C/min => 50C (1min) => 6C/min => 250C
CapillarySE-541111.Triqui and Reineccius, 1995, 230. m/0.32 mm/0.3 «mu»m, He; Program: 35C (2min) => 40 C/min => 50C (1min) => 6C/min => 250C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1615.Mahajan, Goddik, et al., 200430. m/0.25 mm/0.5 «mu»m, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryEC-WAX1605.le Guen, Prost, et al., 200130. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillaryDB-Wax1614.le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryDB-Wax1600.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryDB-Wax1605.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1596.Schuh and Schieberle, 200630. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillarySupelcowax-101588.Baek and Cadwallader, 199660. m/0.25 mm/0.25 «mu»m; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5 MS1108.Chen, Song, et al., 200930. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 6. K/min, 230. C @ 20. min
CapillaryOV-1011087.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011090.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011088.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryOV-1011088.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51110.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryHP-11086.Carpino, Mallia, et al., 200412. m/0.32 mm/0.52 «mu»m; Program: 35C(3min) => 6C/min => 190C => 30C/min => 225C
CapillaryHP-11086.Carpino, Mallia, et al., 2004, 225. m/0.2 mm/0.11 «mu»m; Program: 35C(3min) => 4C/min => 190C => 30C/min => 225C(3min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1605.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax1628.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax1632.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax1601.Kumazawa, Wada, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillarySupelcowax-101630.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-101632.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-101634.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-101590.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 1. K/min; Tend: 175. C
CapillaryCarbowax 20M1590.Buttery and Kamm, 198050. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP1585.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryHP-Innowax1599.Quijano and Pino, 200660. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C
CapillaryDB-Wax1595.Piveteau, le Guen, et al., 200060. m/0.32 mm/0.5 «mu»m, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)

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.

Baccouri, Ben Temime, et al., 2007
Baccouri, B.; Ben Temime, S.; Campeol, E.; Cioni, P.L.; Daoud, D.; Zarrouk, M., Application of solid-phase microextraction to the analysis of volatile compounds in virgin olive oils from five new cultivars, Food Chem., 2007, 102, 3, 850-856, https://doi.org/10.1016/j.foodchem.2006.06.012 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Whetstine M.E.C., Drake M.A., et al., 2006
Whetstine M.E.C.; Drake M.A.; Nelson B.K.; Barbano D.M., Flavor profiles of full-fat and reduced-fat cheese and cheese fat made from aged cheddar with the fat removed using a novel process, J. Dairy Res., 2006, 89, 2, 505-517, https://doi.org/10.3168/jds.S0022-0302(06)72113-0 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Flamini, Luigi Cioni, et al., 2004
Flamini, G.; Luigi Cioni, P.; Morelli, I., Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy), Flavour Fragr. J., 2004, 19, 4, 327-329, https://doi.org/10.1002/ffj.1307 . [all data]

Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey, Flavour Fragr. J., 2003, 18, 2, 95-97, https://doi.org/10.1002/ffj.1168 . [all data]

Flamini, Cioni, et al., 2003
Flamini, G.; Cioni, P.L.; Morelli, I.; Ceccarini, L.; Andolfi, L.; Macchia, M., Composition of the essential oil of Medicago marina L. from the coastal dunes of Tuscany, Italy, Flavour Fragr. J., 2003, 18, 5, 460-462, https://doi.org/10.1002/ffj.1253 . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy, J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y . [all data]

Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P., Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion, J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n . [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E., Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q . [all data]

Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A., Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus), J. Agric. Food Chem., 1995, 43, 7, 1883-1889, https://doi.org/10.1021/jf00055a024 . [all data]

Triqui and Reineccius, 1995, 2
Triqui, R.; Reineccius, G.A., Flavor development in the ripening of anchovy (Engraulis encrasicholus L.), J. Agric. Food Chem., 1995, 43, 2, 453-458, https://doi.org/10.1021/jf00050a037 . [all data]

Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C., Aroma Compounds in Sweet Whey Powder, J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X . [all data]

le Guen, Prost, et al., 2001
le Guen, S.; Prost, C.; Demaimay, M., Evaluation of the representativeness of the odor of cooked mussel extracts and the relationship between sensory descriptors and potent odorants, J. Agric. Food Chem., 2001, 49, 3, 1321-1327, https://doi.org/10.1021/jf000781n . [all data]

le Guen, Prost, et al., 2000
le Guen, S.; Prost, C.; Demaimay, M., Critical comparison of three olfactometric methods for the identification of the most potent odorants in cooked mussels (Mytilus edulis), J. Agric. Food Chem., 2000, 48, 4, 1307-1314, https://doi.org/10.1021/jf990745s . [all data]

Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M., Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9 . [all data]

Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R., Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment, J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q . [all data]

Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C., Aroma-active aompounds of Beijing roast duck, Flavour Fragr. J., 2009, 24, 4, 186-191, https://doi.org/10.1002/ffj.1932 . [all data]

Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H., Characteristic aroma compounds in green algae (Ulva pertusa) volatiles, Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887 . [all data]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [all data]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; Licitra, G.; van Soest, P.J.; Acree, T.E., Aroma compounds of some Hyblean pasture species, Flavour Fragr. J., 2004, 19, 4, 293-297, https://doi.org/10.1002/ffj.1346 . [all data]

Carpino, Mallia, et al., 2004, 2
Carpino, S.; Mallia, S.; La Terra, S.; Melilli, C.; Licitra, G.; Acree, T.E.; Barbano, D.M.; van Soest, P.J., Composition and aroma compounds of ragusano cheese: native pasture and total mixed rations, J. Dairy Sci., 2004, 87, 4, 816-830, https://doi.org/10.3168/jds.S0022-0302(04)73226-9 . [all data]

Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A., Strategy for the identification of key odorants: application to shrimp aroma, J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014 . [all data]

Kumazawa, Wada, et al., 2006
Kumazawa, K.; Wada, Y.; Masuda, H., Characterization of epoxydecenal isomers as potent odorants in black tea (Dimbula) infusion, J. Agric. Food Chem., 2006, 54, 13, 4795-4801, https://doi.org/10.1021/jf0603127 . [all data]

Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A., Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note, J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l . [all data]

Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P., Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil, J. Amer. Oil Chem. Soc., 1989, 66, 1, 114-117, https://doi.org/10.1007/BF02661797 . [all data]

Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A., Volatile components of alfalfa: possible insect host plant attractants, J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014 . [all data]

Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A., Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit, Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]

Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M., Aroma of fresh oysters Crassostrea gigas: composition and aroma notes, J. Agric. Food Chem., 2000, 48, 10, 4851-4857, https://doi.org/10.1021/jf991394k . [all data]


Notes

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