1-Octen-3-one
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChIKey: KLTVSWGXIAYTHO-UHFFFAOYSA-N
- CAS Registry Number: 4312-99-6
- 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:
- Other names: Vinyl amyl ketone; Pentyl vinyl ketone; Amyl vinyl ketone; 1-Octene-3-one; Oct-1-en-3-one; octen-3-one, 1
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | HP-Innowax | DB-FFAP | FFAP |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 35. | 35. |
Tend (C) | 200. | 200. | 250. | 225. | 225. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 10. |
Initial hold (min) | 1. | 1. | 2. | 5. | 5. |
Final hold (min) | 10. | 10. | 10. | 30. | 25. |
I | 1317. | 1317. | 1305. | 1303. | 1301. |
Reference | Cho, Namgung, et al., 2008 | Cho I.H., Lee S.M., et al., 2007 | Hashizume M., Gordon M.H., et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.5 |
Tstart (C) | 35. | 35. | 40. | 40. | 40. |
Tend (C) | 225. | 225. | 240. | 250. | 250. |
Heat rate (K/min) | 10. | 10. | 7. | 4. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. | |
Final hold (min) | 25. | 25. | 5. | 15. | 15. |
I | 1296. | 1299. | 1308. | 1310. | 1298. |
Reference | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | FFAP | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 240. | 240. | 240. | 200. | 200. |
Heat rate (K/min) | 7. | 8. | 6. | 4. | 4. |
Initial hold (min) | 2. | 2. | 1. | 1. | |
Final hold (min) | 5. | 5. | 10. | 10. | 10. |
I | 1314. | 1285. | 1300. | 1306. | 1317. |
Reference | Ruiz Perez-Cacho, Mahattanatawee, et al., 2007 | Schlutt B., Moran N., et al., 2007 | Steinhaus and Schieberle, 2007 | Cho, Choi, et al., 2006 | Cho, Kim, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-Wax | DB-Wax | CP-Wax 52CB | CP-Wax 52CB | DB-Wax |
Column length (m) | 30. | 30. | 50. | 50. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.15 | 0.5 | 0.25 | ||
Tstart (C) | 35. | 40. | 60. | 60. | 40. |
Tend (C) | 220. | 240. | 220. | 220. | 200. |
Heat rate (K/min) | 5. | 5. | 4. | 4. | 10. |
Initial hold (min) | 5. | 5. | 5. | 3. | |
Final hold (min) | 10. | 10. | 30. | 30. | 20. |
I | 1277. | 1303. | 1298. | 1297. | 1285. |
Reference | Ledauphin, Basset, et al., 2006 | Lopez-Galilea I., Fournier N., et al., 2006 | Mahadevan and Farmer, 2006 | Mahadevan and Farmer, 2006 | Carunchia Whetstine, Croissant, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | Supelcowax-10 | Stabilwax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | N2 | He | N2 | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 0.25 |
Tstart (C) | 30. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 280. | 230. | 200. | 250. |
Heat rate (K/min) | 3. | 4. | 4. | 10. | 5. |
Initial hold (min) | 2. | 2. | 2. | 3. | 2. |
Final hold (min) | 2. | 10. | 20. | 5. | |
I | 1299. | 1309. | 1275. | 1270. | 1293. |
Reference | Colahan-Sederstrom and Peterson, 2005 | Elmore, Nisyrios, et al., 2005 | Fang and Qian, 2005 | Whetstine, Cadwallader, et al., 2005 | Wu, Zorn, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-Wax | DB-Wax | DB-FFAP | DB-FFAP | DB-Wax |
Column length (m) | 30. | 30. | 15. | 15. | 30. |
Carrier gas | He | He | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 40. | 40. | 35. | 35. | 40. |
Tend (C) | 250. | 200. | 225. | 225. | 240. |
Heat rate (K/min) | 5. | 10. | 10. | 10. | 7. |
Initial hold (min) | 2. | 5. | 5. | 5. | |
Final hold (min) | 5. | 15. | 15. | 15. | 5. |
I | 1289. | 1295. | 1295. | 1320. | 1315. |
Reference | Wu, Zorn, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 | Bell, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | ZB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 0. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.15 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 40. | 45. | 40. |
Tend (C) | 240. | 220. | 230. | 240. | 240. |
Heat rate (K/min) | 7. | 5. | 5. | 3. | 6. |
Initial hold (min) | 5. | 2. | 10. | 10. | |
Final hold (min) | 5. | 10. | 10. | 30. | 25. |
I | 1305. | 1289. | 1307. | 1290. | 1289. |
Reference | Gocmen, Gurbuz, et al., 2004 | Ledauphin, Saint-Clair, et al., 2004 | Mahajan, Goddik, et al., 2004 | Nielsen and Poll, 2004 | Varming, Petersen, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-FFAP | DB-Wax | DB-Wax | ZB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 35. | 35. | 40. | 40. |
Tend (C) | 240. | 200. | 240. | 240. | 220. |
Heat rate (K/min) | 7. | 10. | 6. | 7. | 3. |
Initial hold (min) | 5. | 2. | |||
Final hold (min) | 5. | 30. | 6. | 5. | |
I | 1323. | 1298. | 1302. | 1305. | 1311. |
Reference | Högnadóttir and Rouseff, 2003 | Karagül-Yüceer, Vlahovich, et al., 2003 | Peterson and Reineccius, 2003 | Valim, Rouseff, et al., 2003 | Brunton, Cronin, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-Wax | DB-Wax | BP-20 | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.22 | 0.32 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1. |
Tstart (C) | 40. | 35. | 60. | 40. | 40. |
Tend (C) | 220. | 200. | 220. | 200. | 200. |
Heat rate (K/min) | 3. | 10. | 2. | 10. | 10. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 30. | 20. | 30. | 30. | |
I | 1311. | 1279. | 1307. | 1297. | 1302. |
Reference | Brunton, Cronin, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Pintore, Usai, et al., 2002 | Wu and Cadwallader, 2002 | Wu and Cadwallader, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.5 |
Tstart (C) | 35. | 40. | 40. | 50. | 35. |
Tend (C) | 200. | 200. | 200. | 250. | 250. |
Heat rate (K/min) | 10. | 2. | 2. | 8. | 1.1 |
Initial hold (min) | 5. | ||||
Final hold (min) | 30. | 10. | |||
I | 1294. | 1296. | 1296. | 1309. | 1306.5 |
Reference | Karagül-Yüceer, Drake, et al., 2001 | Lee, Suriyaphan, et al., 2001 | Lee, Suriyaphan, et al., 2001 | Serot, Prost, et al., 2001 | Siegmund, Derler, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 50. | 30. | 30. | 50. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | ||
Tstart (C) | 30. | 40. | 40. | 60. | 40. |
Tend (C) | 220. | 200. | 200. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 4. |
Initial hold (min) | 1.3 | 5. | 5. | 5. | 5. |
Final hold (min) | 20. | 20. | 30. | 30. | |
I | 1306. | 1296. | 1301. | 1302. | 1300. |
Reference | Jensen, Christensen, et al., 2000 | Kim, Thuy, et al., 2000 | Kim, Thuy, et al., 2000 | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 60. | 30. |
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.53 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 40. | 40. | 50. |
Tend (C) | 230. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 6. | 6. | 2. | 2. |
Initial hold (min) | 3. | 5. | 5. | ||
Final hold (min) | 15. | 30. | 30. | ||
I | 1327. | 1292. | 1283. | 1316. | 1316. |
Reference | Stephan and Steinhart, 1999 | Cha and Cadwallader, 1998 | Cha, Kim, et al., 1998 | Mau, Lin, et al., 1998 | Mau and Hwang, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.53 | 0.53 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 1. | 0.25 |
Tstart (C) | 20. | 20. | 20. | 20. | 40. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 2. |
Initial hold (min) | 5. | 5. | 5. | 5. | 5. |
Final hold (min) | 10. | 10. | 10. | 10. | 30. |
I | 1322. | 1324. | 1322. | 1322. | 1288. |
Reference | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Cadwallader, Tan, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | CP-WAX 57CB |
Column length (m) | 50. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Tstart (C) | 60. |
Tend (C) | 200. |
Heat rate (K/min) | 4. |
Initial hold (min) | 5. |
Final hold (min) | |
I | 1292. |
Reference | Salter L.J., Mottram D.S., et al., 1988 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S.,
Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.),
Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047
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Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S.,
Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis,
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Hashizume M., Gordon M.H., et al., 2007
Hashizume M.; Gordon M.H.; Mottram D.S.,
Light-induced off-flavor development in cloudy apple juice,
J. Agric. Food Chem., 2007, 55, 22, 9177-9182, https://doi.org/10.1021/jf0715727
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Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
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Lozano P.R., Drake M., et al., 2007
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Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
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Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
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Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection,
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Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
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Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R.,
Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor,
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Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
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Steinhaus, P.; Schieberle, P.,
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
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Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S.,
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades,
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Cho, Kim, et al., 2006
Cho, I.H.; Kim, S.Y.; Choi, H.-K.; Kim, Y.-S.,
Characterization of Aroma-Active Compounds in Raw and Cooked Pine-Mushrooms (Tricholoma matsutake Sing.),
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Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds,
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Lopez-Galilea I., Fournier N., et al., 2006
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Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
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Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A.,
Characterization of Dried Whey Protein Concentrate and Isolate Flavor,
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Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G.,
Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition,
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Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
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Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
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Whetstine, Cadwallader, et al., 2005
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Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
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Wu, Zorn, et al., 2005
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
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Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
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Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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