(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: KONGRWVLXLWGDV-UHFFFAOYSA-N
- CAS Registry Number: 23445-02-5
- 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: Cubebol
- Information on this page:
- Other data available:
- Options:
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 | DB-5 | DB-5 MS | HP-5 MS | HP-5 | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Hydrogen | 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) | 50. | 40. | 60. | 70. | 40. |
| Tend (C) | 250. | 250. | 220. | 290. | 230. |
| Heat rate (K/min) | 2. | 5. | 5. | 5. | 2. |
| Initial hold (min) | 15. | 10. | |||
| Final hold (min) | 15. | ||||
| I | 1515. | 1527. | 1515. | 1524. | 1517. |
| Reference | Ho, Wang, et al., 2010 | Mesa-Arango, Betancur-Galvis, et al., 2010 | Ogunwande, Flamini, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Scrivanti, Anton, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SLB-5 MS | RTX-1 | Elite-1 | DB-5 MS | HP-5 MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | He | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 60. | 50. |
| Tend (C) | 250. | 230. | 246. | 270. | 230. |
| Heat rate (K/min) | 3. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 10. | |||
| Final hold (min) | 10. | 35. | 10. | ||
| I | 1519. | 1511. | 1511. | 1513. | 1513. |
| Reference | Lo Presti, Sciarrone, et al., 2008 | Paolini, Tomi, et al., 2008 | Raj, Baby, et al., 2008 | Victorio, Alviano, et al., 2008 | Adams, Beauchamp, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-5 | ZB-5 | Elite-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 60. | 50. | 60. | 60. | 40. |
| Tend (C) | 240. | 240. | 290. | 220. | 280. |
| Heat rate (K/min) | 3. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 1. | 5. | 5. | ||
| Final hold (min) | 4. | 20. | 10. | ||
| I | 1516. | 1510. | 1516. | 1518. | 1519. |
| Reference | Bos, Woerdenbag, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Elfami, Bos, et al., 2007 | Mohottalage, Tabacchi, et al., 2007 | Tava, Pecetti, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | CP Sil 5 CB | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | Helium | N2 | N2 | Hydrogen | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 70. | 50. |
| Tend (C) | 290. | 300. | 200. | 280. | 280. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 3. | 4. | 2. | ||
| Final hold (min) | 10. | ||||
| I | 1516. | 1506. | 1517. | 1515. | 1515. |
| Reference | Elfami, Komar, et al., 2006 | Lis and Milczarek, 2006 | Ouamba, Ouabonzi, et al., 2006 | Pino, Marbot, et al., 2006 | Pino, Sauri-Duch, et al., 2006 |
| 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-5MS | HP-5MS |
| Column length (m) | 25. | 30. | 30. | 30. | 25. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 240. | 240. | 240. | 200. | 250. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 3. |
| Initial hold (min) | 30. | 3. | |||
| Final hold (min) | 10. | ||||
| I | 1518. | 1515. | 1516. | 1510. | 1522. |
| Reference | Potzernheim, Bizzo, et al., 2006 | Chaverri and Cicció, 2005 | Chaverri and Cicció, 2005 | Gauvin and Smadja, 2005 | Ghasemi Y., Faridi P., et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-1 | SE-54 | RTX-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | N2 | N2 | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 95. |
| Tend (C) | 200. | 200. | 260. | 300. | 240. |
| Heat rate (K/min) | 5. | 5. | 2. | 4. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1509. | 1513. | 1520. | 1503. | 1497. |
| Reference | Agnaniet, Menut, et al., 2004 | Fekam Boyom, Fotio, et al., 2004 | Kilic, Hafizoglu, et al., 2004 | Lis, Boczek, et al., 2004 | Palá-Paúl, Velasco-Negueruela, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5 | HP-5 | CP Sil 5 CB | DB-5 |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | He | He | Helium | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
| Tstart (C) | 60. | 60. | 70. | 50. | 60. |
| Tend (C) | 220. | 280. | 210. | 230. | 280. |
| Heat rate (K/min) | 5. | 3. | 2. | 3. | 4. |
| Initial hold (min) | 20. | 10. | |||
| Final hold (min) | 20. | 30. | 60. | 40. | |
| I | 1520. | 1502. | 1512. | 1496. | 1515. |
| Reference | Feizbaksh, Saber Tehrani, et al., 2003 | Marongiu, Porcedda, et al., 2003 | Mookdasanit, Tamura, et al., 2003 | Oyedeji, Ekundayo, et al., 2003 | Pino, Marbot, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | HP-5 | 5 % Phenyl methyl siloxane | DB-5MS |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | H2 | 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 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 75. | 60. |
| Tend (C) | 280. | 280. | 250. | 200. | 280. |
| Heat rate (K/min) | 4. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 10. | 15. | 4. | ||
| Final hold (min) | 40. | 8. | |||
| I | 1515. | 1495. | 1514. | 1515. | 1533. |
| Reference | Pino, Marbot, et al., 2003 | Pitarokili, Tzakou, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Cicció and Gómez-Laurito, 2002 | Congiu, Falconieri, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5MS | CP Sil 5 CB | DB-1 | DB-5MS |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 240. | 220. | 240. | 240. |
| Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1533. | 1514. | 1506. | 1518.0 | 1514. |
| Reference | Congiu, Falconieri, et al., 2002 | Maia, Zoghbi, et al., 2002 | Monfared, Davarani, et al., 2002 | Santos, Moreira, et al., 2001 | Zoghbi, Andrade, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-5 |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 35. |
| Tend (C) | 200. |
| Heat rate (K/min) | 6. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1500. |
| Reference | Larsen and Frisvad, 1995 |
| Comment | 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.
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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