Nonanoic acid
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
- CAS Registry Number: 112-05-0
- 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. - Other names: n-Nonanoic acid; n-Nonoic acid; n-Nonylic acid; Nonoic acid; Nonylic acid; Pelargic acid; Pelargonic acid; 1-Octanecarboxylic acid; Cirrasol 185a; Emfac 1202; Hexacid C-9; Pelargon; Emery 1203; 1-Nonanoic acid; NSC 62787; n-Pelargonic acid; Emery 1202 (Salt/Mix)
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Normal alkane RI, non-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 | HP-5 MS | VF-5 MS | VF-5 MS | CP-Sil 5 CB | RTX-1 |
Column length (m) | 30. | 60. | 60. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.25 |
Tstart (C) | 50. | 30. | 30. | 45. | 60. |
Tend (C) | 250. | 260. | 260. | 280. | 230. |
Heat rate (K/min) | 5. | 2. | 2. | 3. | 2. |
Initial hold (min) | 0.5 | ||||
Final hold (min) | 0.5 | 28. | 28. | 22. | 30. |
I | 1283. | 1272. | 1273. | 1255. | 1263. |
Reference | Fanaro, Duarte, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Mothana, Hasson, et al., 2011 | Dib, Djabou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | HP-5 MS | HP-5 MS | HP-5 MS | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 70. | 70. | 70. | 50. |
Tend (C) | 250. | 200. | 200. | 200. | 240. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 4. |
Initial hold (min) | 3. | 2. | 2. | 2. | 2. |
Final hold (min) | 2. | 18. | 18. | 18. | 10. |
I | 1272. | 1273. | 1273. | 1273. | 1271. |
Reference | Hu, Liang, et al., 2010 | Jerkovic, Hegic, et al., 2010 | Jerkovic and Marijanovic, 2010 | Jerkovic, Tuberso, et al., 2010 | Pino, Marquez, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 MS | DB-5 | HP-5 MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Nitrogen | Helium | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 70. | 40. | 50. | 50. |
Tend (C) | 290. | 290. | 230. | 230. | 280. |
Heat rate (K/min) | 5. | 5. | 2. | 4. | 5. |
Initial hold (min) | 4. | 1. | |||
Final hold (min) | 10. | 10. | 10. | 1. | |
I | 1275. | 1264. | 1271. | 1271. | 1280. |
Reference | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Scrivanti, Anton, et al., 2009 | Forero, Quijano, et al., 2008 | Saidana, Mahjoub, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | DB-5 | HP-1 | BPX-5 |
Column length (m) | 25. | 30. | 30. | 50. | 25. |
Carrier gas | Helium | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.2 | 0.20 |
Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.5 | 0.13 |
Tstart (C) | 40. | 60. | 40. | 60. | 50. |
Tend (C) | 280. | 320. | 250. | 250. | 230. |
Heat rate (K/min) | 4. | 10. | 4. | 2. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 4. | 5. | 120. | ||
I | 1278. | 1269. | 1260. | 1261. | 1260. |
Reference | Pavlovic, Petrovic, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 | Xu, Fan, et al., 2007 | Castel, Fernandez, et al., 2006 | Fons, Rapior, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-5 | PE-5 | BPX5 | Polymethylsiloxane, (PMS-20000) |
Column length (m) | 30. | 30. | 50. | 25. | 25. |
Carrier gas | He | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.20 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.13 | |
Tstart (C) | 50. | 60. | 100. | 50. | 50. |
Tend (C) | 265. | 260. | 280. | 230. | 250. |
Heat rate (K/min) | 2.5 | 5. | 3. | 3. | 3. |
Initial hold (min) | 1. | 2. | 1. | 2. | 3. |
Final hold (min) | 20. | 13. | |||
I | 1256. | 1274. | 1280. | 1260. | 1308. |
Reference | Iranshahi, Amin, et al., 2006 | Kucuk, Gulec, et al., 2006 | Pandey-Rai S., Mallavarapu G.R., et al., 2006 | Boustie, Rapior, et al., 2005 | Dohou, Yamni, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 5. |
Initial hold (min) | 2. | 2. | 2. | 2. | 2. |
Final hold (min) | 5. | 5. | 5. | 5. | 5. |
I | 1272. | 1272. | 1272. | 1273. | 1273. |
Reference | N/A | N/A | N/A | N/A | N/A |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | 5 % Phenyl methyl siloxane | DB-5MS | RSL-200 | RSL-200 |
Column length (m) | 60. | 0. | 30. | 30. | 30. |
Carrier gas | N2 | He | H2 | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 40. | 90. | 40. | 40. |
Tend (C) | 230. | 250. | 200. | 280. | 280. |
Heat rate (K/min) | 2. | 7. | 30. | 6. | 6. |
Initial hold (min) | 2. | 10. | 5. | 5. | |
Final hold (min) | 20. | 5. | 10. | 5. | 5. |
I | 1277. | 1275. | 1237. | 1283. | 1275. |
Reference | Choi, 2004 | Ramírez, Estévez, et al., 2004 | Robledo and Arzuffi, 2004 | Jirovetz, Buchbauer, et al., 2003 | Jirovetz, Buchbauer, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RSL-200 | SPB-5 | RTX-5 | Optima-1 | Optima-1 |
Column length (m) | 30. | 30. | 20. | 25. | 25. |
Carrier gas | H2 | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.18 | 0.20 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 20. | 50. | 50. |
Tend (C) | 280. | 250. | 290. | 250. | 250. |
Heat rate (K/min) | 6. | 4. | 40. | 3. | 3. |
Initial hold (min) | 2. | 2. | 3.5 | 3. | 3. |
Final hold (min) | 10. | 20. | 0.5 | ||
I | 1275. | 1280. | 1319. | 1278. | 1278. |
Reference | Jirovetz, Smith, et al., 2002 | Pino, Marbot, et al., 2002 | Sies A., Hirsch R., et al., 2002 | Brun, Bessière, et al., 2001 | de Beck, Bessière, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5MS | Optima 1 | DB-1 | Ultra-2 |
Column length (m) | 30. | 30. | 25. | 60. | 50. |
Carrier gas | H2 | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.52 | |
Tstart (C) | 40. | 40. | 50. | 30. | 40. |
Tend (C) | 280. | 280. | 200. | 200. | 250. |
Heat rate (K/min) | 3. | 10. | 3. | 4. | 4. |
Initial hold (min) | 10. | 1. | 25. | 3. | |
Final hold (min) | 10. | 20. | 20. | 30. | |
I | 1282. | 1275. | 1280. | 1260. | 1288. |
Reference | Bicalho, Pereira, et al., 2000 | Tkachev, Dobrotvorsky, et al., 2000 | Fons, Rapior, et al., 1998 | Buttery, Ling, et al., 1997 | King, Matthews, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Ultra-2 | DB-5 | DB-5 | Ultra-1 |
Column length (m) | 50. | 60. | 60. | 25. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.52 | 1.0 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 80. |
Tend (C) | 250. | 240. | 250. | 260. |
Heat rate (K/min) | 4. | 3. | 2. | 3. |
Initial hold (min) | 3. | 5. | ||
Final hold (min) | 30. | |||
I | 1260. | 1273. | 1275. | 1272. |
Reference | King, Hamilton, et al., 1993 | Berdague, Denoyer, et al., 1991 | Lee, Macku, et al., 1991 | Okumura, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H.,
Evaluation of γ-radiation on oolong tea odor volatiles,
Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061
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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Mothana, Hasson, et al., 2011
Mothana, R.A.A.; Hasson, S.S.; Schultze, W.; Mowitz, A.; Lindequist, U.,
Phytochemical composition and in vitro antimicrobial and antioxidant activities of essential oils of three endemic Soqotraen Boswellia species,
Food Chem., 2011, 126, 3, 1149-1154, https://doi.org/10.1016/j.foodchem.2010.11.150
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Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
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Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
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Jerkovic, Hegic, et al., 2010
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Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds,
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Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
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Jerkovic, Tuberso, et al., 2010
Jerkovic, I.; Tuberso, C.I.G.; Gugic, M.; Bubalo, D.,
Composition of Sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds,
Molecules, 2010, 15, 9, 6375-6385, https://doi.org/10.3390/molecules15096375
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Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
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Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
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Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
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Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
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Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N.,
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Pavlovic, Petrovic, et al., 2007
Pavlovic, M.; Petrovic, S.; Ristic, M.; Maksimovic, Z.; Kovacevic, N.,
Essential oil of filipendula hexapetala,
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Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
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Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
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Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
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Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A.,
Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum,
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Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
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Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N.,
Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium,
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Pandey-Rai S., Mallavarapu G.R., et al., 2006
Pandey-Rai S.; Mallavarapu G.R.; Naqvi A.A.; Yadav A.; Rai S.K.; Srivastava S.; Singh D.; Mishra R.; Kumar S.,
Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi,
Flavour Fragr. J., 2006, 21, 3, 427-430, https://doi.org/10.1002/ffj.1606
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Boustie, Rapior, et al., 2005
Boustie, J.; Rapior, S.; Fortin, H.; Tomas, S.; Bessiere, J.-M.,
Chemotaxonomic interest of volatile components in Lepista inversa and Lepista flaccida distinctions,
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Dohou, Yamni, et al., 2005
Dohou, N.; Yamni, K.; Badoc, A.; Tahrouch, S.; Idrissi Hassani, L.M.; Bessière, J.-M.,
Composés volatils de Thymelaea lythroides, endémique, ibéro-marocaine,
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Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
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Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R.,
Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS,
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Robledo and Arzuffi, 2004
Robledo, N.; Arzuffi, R.,
Identificacion de los compuestos volatiles de papaya y cuaguayote mediante microextraccion en fase solida, cromatografia de gases y espectrometria de masas,
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Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Kaniampady, M.M.,
Chemotaxonomical analysis of the essential oil aroma compounds of four different Ocimumspecies from southern India,
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Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M.,
Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry,
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Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
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Sies A., Hirsch R., et al., 2002
Sies A.; Hirsch R.; Löscher R.; Tablack P.; Guth H.,
Direct thermal desorption and Fast-GC-TOF-MS for a rapid quality control of hazelnuts, 10th Weurman Flavour Research Symposium, 24 - 28 June 2002, Beaune, France, 2002. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
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de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [all data]
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Notes
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- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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