4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1
- IUPAC Standard InChIKey: CZVXBFUKBZRMKR-SNVBAGLBSA-N
- CAS Registry Number: 498-16-8
- 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. - Stereoisomers:
- Other names: 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-; (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol; (-)-Lavandulol; Lavandulol; (R)-Lavandulol; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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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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 | Japan AIST/NIMC Database- Spectrum MS-IW-2193 |
| NIST MS number | 233883 |
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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-101 | 140. | 1159. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 150. | 1161. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 160. | 1163. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 170. | 1165. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Capillary | OV-101 | 140. | 1159. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 150. | 1161. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 160. | 1163. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 170. | 1165. | Benecke, Thieme, et al., 1982 | |
| Packed | Apiezon L | 150. | 1135. | ter Heide, 1976 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1162. | Angioni, Barra, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1150. | Raina, Verma, et al., 2006 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | SPB-1 | 1156. | Walde, Jyothirmayi, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min, 240. C @ 2. min |
| Capillary | SPB-5 | 1185. | Gauvin, Lecomte, et al., 2004 | 60. m/0.32 mm/1. μm, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C |
| Capillary | BP-1 | 1155. | Raina, Lal, et al., 2002 | 60. m/0.32 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-1 | 1140. | Palá-Paúl, Velasco-Negueruela, et al., 2001 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | Methyl Silicone | 1156.6 | Rao, Rajanikanth, et al., 1989 | 4. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; Tstart: 70. C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1707. | ter Heide, 1976 |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1726. | Gauvin, Lecomte, et al., 2004 | 50. m/0.2 mm/0.4 μm, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1698. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-101 | 1157. | Politeo, Jukic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | SPB-1 | 1167. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1170. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | RTX-1 | 1148. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | DB-5 | 1171. | Dob, Dahmane, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min |
| Capillary | HP-5MS | 1169. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | RTX-1 | 1148. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1149. | Vellutini, Baldovini, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | HP-5MS | 1170. | Salido, Valenzuela, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1150. | Pintore, Usai, et al., 2002 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-5 | 1166. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-5 | 1175. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1165. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | HP-5MS | 1170. | Salido, Altarejos, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-101 | 1169. | Chung, Eiserich, et al., 1993 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C |
| Packed | OV-101 | 1153. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS, 2. K/min; Column length: 2. m; Tstart: 100. C |
| Capillary | OV-101 | 1153. | Benecke, Thieme, et al., 1982 | 2. K/min; Tstart: 100. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1167. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1634. | Politeo, Jukic, et al., 2007 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
| Capillary | RTX-Wax | 1662. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | Polyethylene Glycol | 1682. | Dob, Dahmane, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 50. C @ 10. min, 2. K/min, 230. C @ 15. min |
| Capillary | RTX-Wax | 1671. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1673. | Vellutini, Baldovini, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | Supelcowax | 1672. | Bassole, Ouattara, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 10. min; Tstart: 40. C |
| Capillary | BP-20 | 1675. | Pintore, Usai, et al., 2002 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1662. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-Wax | 1682. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | Carbowax 20M | 1663. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
| Capillary | HP-20M | 1677. | Chung, Eiserich, et al., 1993 | He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 190. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1170. | Farhat, Ginies, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1175. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 45. C @ 3. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 MS | 1168. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
| Capillary | HP-1 | 1149. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | DB-1 | 1150. | Hadian, Sonboli, et al., 2006 | 60. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | DB-1 | 1145. | Iranshahi, Amin, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | Methyl Silicone | 1164. | Kitchlu, Bakshi, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 7. K/min; Tend: 220. C |
| Capillary | DB-1 | 1153. | Fakhari, Salehi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | DB-1 | 1153. | Palá-Paúl, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | SPB-1 | 1150. | Wong and Tan, 2005 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | BP-1 | 1149. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-1 | 1150. | Lis, Boczek, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5MS | 1165. | Sadeghpour, Asghari, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1165. | Hajhashemi, Ghannadi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-1 | 1153. | Mahalwal and Ali, 2003 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 250. C |
| Capillary | DB-1 | 1125. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
| Capillary | HP-5 | 1170. | Yassa, Akhani, et al., 2003 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | DB-1 | 1146. | Sefidkon, Jalili, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5MS | 1155. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1153. | Mallavarapu, Rao, et al., 2000 | 25. m/0.50 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | CP Sil 5 CB | 1157. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 25. m; Phase thickness: 0.39 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1175. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1186. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 MS | 1162. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | 5 % Phenyl methylsiloxane | 1172. | Serrano, Cornu, et al., 2007 | Program: not specified |
| Capillary | 1153. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
| Capillary | CP Sil 8 CB | 1166. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1150. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1152. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Polydimethyl siloxanes | 1150. | Zenkevich, 1997 | Program: not specified |
| Packed | OV-101 | 1153. | Swigar and Silverstein, 1981 | N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1638. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; Tstart: 60. C |
| Capillary | FFAP | 1712. | Kitchlu, Bakshi, et al., 2006 | 20. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 90. C; Tend: 250. C |
| Capillary | DB-Wax | 1670. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
| Capillary | Supelcowax-10 | 1675. | Wong and Tan, 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | BP-20 | 1677. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Innowax | 1686. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | HP-Innowax | 1682. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 5. K/min; Tstart: 70. C; Tend: 190. C |
| Capillary | Supelcowax-10 | 1675. | Korány, Mednyánszky, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-20 | 1660. | Mallavarapu, Rao, et al., 2000 | 25. m/0.50 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 60. C; Tend: 200. C |
| Capillary | DB-Wax | 1687. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 60. m; Phase thickness: 0.25 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1686. | Polatoglu, Demirci, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | HP-Innowax FSC | 1686. | Tabanca N., Demirci B., et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1677. | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1686. | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1686. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1662. | Vinogradov, 2004 | Program: not specified |
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.
Szabolcs, Benecke, et al., 1985
Szabolcs, N.; Benecke, R.; Thieme, H.,
Természetes eredetu növényi anyagok gázkromatográfiás retenciós tulajdonságai. I. A lavandula- és lavandinolaj fo kimponenseinek retenciós indexei,
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Benecke, Thieme, et al., 1982
Benecke, R.; Thieme, H.; Nyiredy, Sz.,
Retentionsverhalten der Hauptkomponenten der Lavendel und Lavandinöle an Verschiedenen stationären Phasen in Abhängigkeit von der Säulentemperatur,
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Studies on Terpenes. III. Gas Chromatography of Acyclic Monoterpene Alcohols,
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Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
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Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
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Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
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Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
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. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
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Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
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Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
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Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
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Judpentienë, A.; Mockutë, D.,
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Zenkevich, I.G.,
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Tabanca, Demirci, et al., 2006
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Notes
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