2,4-Hexadienal, (E,E)-
- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N
- CAS Registry Number: 142-83-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: Sorbaldehyde; n-Hex-2,4-dienal, trans,trans-; Hexa-2,4-dienal, (E,E)-; Sorbic aldehyde; 2,4-Hexadien-1-al, (E,E)-; (E,E)-2,4-Hexadienal; trans,trans-2,4-Hexadienal; 2,4-(E,E)-Hexadienal; (2E,4E)-Hexadienal; (E)-2,(E)-4-Hexadienal; (E,E)-Hexa-2,4-dienal; trans,trans-Hexa-2,4-dienal; t,t-2,4-Hexadienal; 2,4-Hexadienal, (2E,4E)-; 2,4-Hexadienal; hexa-2,4-dienal
- Information on this page:
- Other data available:
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H8O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.22 ± 0.03 | PE | Klessinger and Gunkel, 1978 | Vertical value |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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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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 | Chemical Concepts |
NIST MS number | 157327 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 909. | Medina, Lucero, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 255. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 912. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | Mega 5MS | 879. | Condurso, Verzera, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5MS | 915. | Seo and Baek, 2005 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 20. min; Tstart: 40. C |
Capillary | SPB-5 | 909. | Píno, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5 | 911. | Campeol, Flamini, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | HP-5 | 911. | Campeol, Flamini, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-5 | 911. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 909. | Javidnia, Miri, et al., 2003 | He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
Capillary | CP Sil 8 CB | 916. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 5 CB | 877. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
Capillary | CP Sil 5 CB | 877. | Pino, Marbot, et al., 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-1 | 881.1 | Helmig, Klinger, et al., 1999 | 60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 914. | Zheng, Kim, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
Capillary | HP-5 | 916. | Boué, Shih, et al., 2003 | 50. m/0.2 mm/0.5 μm, He; Program: 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min) |
Capillary | DB-5 | 925. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1394. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | AT-Wax | 1400. | Pino, Marbot, et al., 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | DB-Wax | 1398. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1407. | Romeo, Ziino, et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | CP-Wax 52CB | 1408. | Condurso, Verzera, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | CP-Wax 52CB | 1411. | Alasalvar, Shahidi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C |
Capillary | Supelcowax-10 | 1406. | Baek and Cadwallader, 1996 | 60. m/0.25 mm/0.25 μm; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 913. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | Mega 5 MS | 879. | Romeo, Verzera, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min; Tend: 240. C |
Capillary | HP-5 MS | 910. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
Capillary | PE-5 | 915. | Pandey-Rai S., Mallavarapu G.R., et al., 2006 | 50. m/0.32 mm/0.25 μm, He, 100. C @ 1. min, 3. K/min; Tend: 280. C |
Capillary | DB-5 | 909. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
Capillary | DB-5 | 916. | Senatore, Landolfi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Capillary | DB-5 | 912. | Morteza-Semnani and Saeedi, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C |
Capillary | SPB-5 | 909. | Pino, Marbot, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5MS | 913. | Setzer, Noletto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | RSL-200 | 876. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | SPB-1 | 884. | Vichi, Pizzale, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | DB-5 | 906. | Kobaisy, Tellez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | SPB-5 | 909. | Pino, Marbot, et al., 2002, 2 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 908. | Tellez, Khan, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-1 | 883. | Rapior, Breheret, et al., 1997 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 2. min, 4. K/min; Tend: 200. C |
Capillary | DB-1 | 878. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | DB-1 | 883. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | DB-1 | 876. | Hansen, Buttery, et al., 1992 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | DB-1 | 876. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5 MS | 914. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 914. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | VF-5 | 909. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
Capillary | VF-5 | 908. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-1 | 883. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
Capillary | HP-5MS | 924. | Cole, Haber, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
Capillary | HP-5 | 921. | Jordan, Martinez, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
Capillary | SF-96 | 880. | Kawasaki, Matsui, et al., 1998 | Column length: 40. m; Column diameter: 0.28 mm; Program: 75C => 3C/min => 190C(25min) => 3C/min => 210C |
Capillary | DB-1 | 876. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1411. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 1414. | Kumazawa, Wada, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | ZB-Wax | 1428. | Wierda R.L., Fletcher G., et al., 2006 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 3. K/min, 250. C @ 10. min |
Capillary | Supelcowax-10 | 1441. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | Supelcowax-10 | 1443. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | PEG-20M | 1406. | Yao, Guo, et al., 2005 | 60. C @ 10. min, 3. K/min, 180. C @ 30. min; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1392. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | DB-Wax | 1392. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | Supelcowax-10 | 1395. | Vichi, Pizzale, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 1407. | Jiang and Kubota, 2001 | He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 220. C |
Capillary | DB-Wax | 1398. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 230. C |
Capillary | DB-Wax | 1395. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | Supelcowax-10 | 1409. | Wong and Lai, 1996 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 200. C @ 30. min |
Capillary | Carbowax 20M | 1368. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | DB-Wax | 1397. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | DB-Wax | 1395. | Binder, Flath, et al., 1989 | 50. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 1402. | Hsieh, Williams, et al., 1989 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; Tend: 175. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1411. | Cajka, Riddellova, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) |
Capillary | CP-Wax 52 CB | 1409. | Romeo, Verzera, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C |
Capillary | Supelcowax-10 | 1351. | Kourkoutas, Bosnea, et al., 2006 | 60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
Capillary | DB-Wax | 1365. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Wax 52CB | 1379. | Luning, de Rijk, et al., 1994 | 50. m/0.32 mm/1.5 μm; Program: 40C => 2C/min => 150C => 10C/min => 250C |
Capillary | DB-Wax | 1397. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, 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.
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Forero, Quijano, et al., 2008
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Pino, Marbot, et al., 2006
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Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley,
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Senatore, Landolfi, et al., 2006
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Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
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Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Phlomis bruguieri Desf. from Iran,
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Pino, Marbot, et al., 2005
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Setzer, Noletto, et al., 2005
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Jirovetz, Buchbauer, et al., 2003
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Chemotaxonomical analysis of the essential oil aroma compounds of four different Ocimumspecies from southern India,
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Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
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Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
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Tellez, Khan, et al., 2002
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Volatile flavor constituents of fresh Marasmius alliaceus (garlic Marasmius),
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Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
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Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
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Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
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Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
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Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
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Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
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Jordan, Martinez, et al., 2006
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Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
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Kawasaki, Matsui, et al., 1998
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Long-chain aldehyde-forming activity in tobacco leaves,
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Binder, Flath, et al., 1989
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Volatile components of bittermelon,
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Povolo, Contarini, et al., 2007
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Kumazawa, Wada, et al., 2006
Kumazawa, K.; Wada, Y.; Masuda, H.,
Characterization of epoxydecenal isomers as potent odorants in black tea (Dimbula) infusion,
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Wierda R.L., Fletcher G., et al., 2006
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Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS,
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
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Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X.,
Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process,
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Jiang and Kubota, 2004
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Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.),
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Jiang and Kubota, 2001
Jiang, L.; Kubota, K.,
Formation by mechanical stimulus of the flavor compounds in young leaves of Japanese pepper (Xanthoxylum piperitum DC.),
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Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
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Horiuchi, Umano, et al., 1998
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Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
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Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
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Hsieh, Williams, et al., 1989
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Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
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. [all data]
Notes
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