Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13?,14?,15-/m0/s1
- IUPAC Standard InChIKey: PGBNIHXXFQBCPU-NRXISQOPSA-N
- CAS Registry Number: 511-59-1
- 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: Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-; β-Santalene; (-)-β-Santalene; 2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane; (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane
- Information on this page:
- Options:
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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | Mark Whitten, Florida Museum of Natural History, U. of Florida |
| NIST MS number | 141046 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1462. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1461. | da Silva, Zoghbi, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1463. | Flamini, Tebano, et al., 2007 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5MS | 1458. | Saroglou, Arfan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | SPB-1 | 1445. | 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 | 1462. | 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 | HP-5 | 1461. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5MS | 1456. | 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-5 | 1462. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min |
| Capillary | RTX-5 | 1467. | Mondello, Zappia, et al., 2000 | 10. m/0.1 mm/0.1 μm, He, 12.3 K/min; Tstart: 50. C; Tend: 350. C |
| Capillary | Mega 5MS | 1449. | Verzera, la Rosa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | Mega 5MS | 1449. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1463.3 | 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) |
| Capillary | BPX-5 | 1492. | Elmore, Erbahadir, et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1648. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | RTX-Wax | 1620. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 240. C @ 10. min |
| Capillary | Supelcowax | 1655. | Bassole, Ouattara, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 10. min; Tstart: 40. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1617. | Dugo, Mondello, et al., 2004 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1467. | Pripdeevech and Saansoomchai, 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | DB-5 | 1457. | Magalhaes, Lima, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | BPX-5 | 1492. | Rali, Wossa, et al., 2007 | 50. m/0.22 mm/1. μm, He, 50. C @ 1. min, 4. K/min, 300. C @ 10. min |
| Capillary | CP Sil 5 CB | 1460. | Ayoub, Al-Azizi, et al., 2006 | He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C |
| Capillary | HP-5MS | 1460. | Ebrahim Sajjadi and Mehregan, 2006 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5MS | 1437. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | SPB-5 | 1463. | Pino, Marquez, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 1458. | Rout, Naik, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C |
| Capillary | DB-1 | 1449. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | ZB-5 | 1469. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
| Capillary | DB-5 | 1445. | Lago, de Ávila, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | DB-1 | 1459. | Perez-Alonso, Velasco-Negueruela, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | DB-5 | 1465. | da Silva, Luz, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5MS | 1443. | Damon, Hernández, et al., 2002 | He, 50. C @ 2. min, 15. K/min, 280. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | DB-1 | 1467. | Feger, Brandauer, et al., 2000 | 33. m/0.25 mm/0.50 μm, N2, 50. C @ 2. min, 20. K/min; Tend: 135. C |
| Capillary | DB-1 | 1453. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
| Capillary | SE-30 | 1450. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | SE-30 | 1450. | Ramaswami, Briscese, et al., 1986 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1444. | Chokeprasert P., Charles A.L., et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min) |
| Capillary | HP-5MS | 1474. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | HP-5MS | 1474. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | SE-30 | 1448. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1448. | Zenkevich, 1996 | Program: not specified |
| Capillary | DB-5 | 1468. | Jelen H.H., Mirocha C.J., et al., 1995 | 30. m/0.25 mm/0.25 μm; Program: 35C(1min) => 5C/min => 230C => 20C/min => 280C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 1656. | Hymete, Rohloff, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 220. C @ 2. min |
| Capillary | Carbowax 20M | 1628. | Lago, de Ávila, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | TC-Wax | 1663. | Miyazawa, Teranishi, et al., 2003 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C |
| Capillary | DB-Wax | 1649. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
| Capillary | Supelcowax-10 | 1653. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | Supelcowax-10 | 1653. | Ramaswami, Briscese, et al., 1986 | He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1646. | 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.
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Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
Jelen H.H., Mirocha C.J., et al., 1995
Jelen H.H.; Mirocha C.J.; Wasowicz E.; Kaminski E.,
Production of volatile sesquiterpenes by Fusarium sambucinum strans with different abilities to synthesize trichlothecenes,
Appl. Environ. Microbiol., 1995, 61, 11, 3815-3820. [all data]
Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H.,
Volatile constituents of the roots of Echinops kebericho Mesfin,
Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
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. [all data]
Notes
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