1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1α,2α,3aβ,4α,8aβ,9R*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3
- IUPAC Standard InChIKey: WCEIQUQVIOGRBF-UHFFFAOYSA-N
- CAS Registry Number: 1137-12-8
- 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. - Species with the same structure:
- Other names: Longicyclene; 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1α,2α,3aβ,4α,8aβ,9R)]-; (1S,2R,3aR,4R,8aS,9S)-1,5,5,8a-Tetramethyldecahydro-1,2,4-(epimethanetriyl)azulene; α-Longicyclene; [1S-(1α,2α,3aβ,4α,8aβ,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene
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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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 62894 |
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 |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1399.1 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | SF-96 | 170. | 1409. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | SE-30 | 130. | 1371. | Andersen and Falcone, 1969 | He, Chromosorb G |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1374. | Juliani, Zygadlo, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 1. min, 4. K/min, 200. C @ 15. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1368. | Mevy, Bousquet-Melou, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1558.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1558.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 165. | 1580. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1554.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 132. | 1519. | Andersen and Falcone, 1969 | |
| Packed | Carbowax 20M | 132. | 1519. | Andersen and Falcone, 1969 | |
| Packed | Carbowax 20M | 165. | 1554. | Andersen and Falcone, 1969 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1372. | Benkaci-Ali, Baaliouamer, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min |
| Capillary | BP-1 | 1376. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5MS | 1377.2 | Zeng, Zhao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | DB-1 | 1362. | Dob T., Berramdane T., et al., 2005 | 30. m/0.32 mm/0.25 μm, N2, 50. C @ 3. min, 2. K/min, 260. C @ 5. min |
| Capillary | DB-5 | 1372. | Adams, Habte, et al., 2004 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | HP-5 | 1371. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
| Capillary | HP-5 | 1375. | Macchioni, Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1376. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | CP Sil 8 CB | 1392. | Oruna-Concha, Ames, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1371. | Bortolomeazzi, Berno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 5. K/min; Tend: 300. C |
| Capillary | DB-5 | 1371. | Bortolomeazzi, Pizzale, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 5. K/min; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1374. | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1496. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1371. | Yang, Zhang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 10. K/min, 250. C @ 3. min |
| Capillary | HP-5 | 1373. | Lago, Romoff, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium, 100. C @ 2. min, 5. K/min, 240. C @ 5. min |
| Capillary | ZB-1 | 1370. | Mierendorff, Stahl-Biskup, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 3. K/min; Tstart: 45. C; Tend: 230. C |
| Capillary | DB-1 | 1368. | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | ZB-5 | 1401. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
| Capillary | ZB-1 | 1370. | Mierendorff, Stahl-Biskup, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 230. C |
| Capillary | 5 % Phenyl methyl siloxane | 1374. | Cicció and Gómez-Laurito, 2002 | 30. m/0.25 mm/0.25 μm, He, 75. C @ 4. min, 3. K/min, 200. C @ 8. min |
| Capillary | SPB-5 | 1376. | Doneanu and Anitescu, 1998 | 50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1378. | Elias, Simoneit, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 65. C @ 2. min, 4. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1374. | Nivinskienë, Butkienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
| Capillary | DB-5 | 1380. | Hamm, Bleton, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | SE-30 | 1378. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1378. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TC-FFAP | 1494. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | PEG-20M | 1497. | 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 |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1554. | 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.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
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Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania,
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Mevy, Bousquet-Melou, et al., 2006
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Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
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Analysis of essential oil from the needles of Pinus pinaster growing in Algeria,
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Adams, Habte, et al., 2004
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Preliminary comparison of vetiver root essential oils from cleansed (bacteria- and fungus-free) versus non-cleansed (normal) vetiver plants,
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Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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