Pentadecane, 2,6,10,14-tetramethyl-
- Formula: C19H40
- Molecular weight: 268.5209
- IUPAC Standard InChIKey: XOJVVFBFDXDTEG-UHFFFAOYSA-N
- CAS Registry Number: 1921-70-6
- 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: Bute hydrocarbon; Norphytan; Norphytane; Pristan; Pristane; 2,6,10,14-Tetramethylpentadecane; Norphytane, robuoy; 2,6,10,14-Tetramethylpentadecane (pristane); 2,6,10,10-tetramethylpentadecane
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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-NW-1461 |
NIST MS number | 229566 |
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 | 200. | 1709. | Shlyakhov, 1984 | |
Capillary | n-Dotriacontane | 200. | 1697. | Shlyakhov, 1984 | |
Capillary | Apiezon L | 200. | 1682. | Shlyakhov, 1984 | |
Capillary | Apiezon L | 200. | 1687. | Shlyakhov, 1984 | |
Packed | Apiezon L | 200. | 1681.9 | Fisch, Olácsi, et al., 1980 | |
Packed | SE-30 | 150. | 1708. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | SE-30 | 200. | 1709. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | Apiezon L | 130. | 1687. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | Apiezon L | 150. | 1687. | Shlyakhov, Anvaer, et al., 1975 | |
Capillary | SE-30 | 100. | 1709. | Shlyakhov, Koreshkova, et al., 1975 | |
Capillary | Apiezon L | 100. | 1687. | Shlyakhov, Koreshkova, et al., 1975 |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1707. | Kenig, Simons, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min) |
Capillary | Apiezon L | 1681. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1684. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1685. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1685. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1687. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1687. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1687. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1688. | Shlyakhov, 1984 | Program: not specified |
Capillary | Apiezon L | 1692. | Shlyakhov, 1984 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil 8CB-MS | 1703. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Cross-Linked Methylsilicone | 1712. | Khorasheh, Gray, et al., 1989 | 5. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | OV-1 | 1710. | Berthou and Friocourt, 1981 | 50. m/0.30 mm/0.15 μm, H2, 0.5 K/min; Tstart: 60. C; Tend: 280. C |
Capillary | OV-1 | 1708. | Berthou and Friocourt, 1981 | 50. m/0.30 mm/0.15 μm, H2, 0.5 K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1703.7 | 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 | DB-5MS | 1703. | Turchini, Giani, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 120C/min => 60C1.5C/min => 100C => 5C/min => 280C |
Capillary | CP-Sil 8CB-MS | 1702. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1664. | Selli, Rannou, et al., 2006 | 30. m/0.25 mm/0.5 μm, He, 4. K/min, 260. C @ 5. min; Tstart: 50. C |
Capillary | Supelcowax-10 | 1669. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1671. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1672. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Capillary | Supelcowax-10 | 1670. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1672. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1655. | Pennarun, Prost, et al., 2002 | 30. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1712. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
Capillary | VF-5 | 1701. | Li and Zhao, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | HP-101 | 1696. | Mastelic, Jerkovic, et al., 2006 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
Capillary | Ultra-2 | 1704. | King, Hamilton, et al., 1993 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Capillary | Apieson L | 1685. | Albaigès, Borbón, et al., 1981 | He, Gas-Chrom Q, 6. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 120. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 MS | 1649. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
Capillary | RTX-5 MS | 1705. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
Capillary | HP-5 | 1703. | Pugliese, Sirtori, et al., 2009 | 50. m/0.32 mm/1.05 μm, Helium; Program: not specified |
Capillary | 1710. | Cripps, 1995 | Program: not specified | |
Capillary | Squalane | 1684. | Petrov, 1984 | Program: not specified |
Capillary | Apiezon L | 1692. | Shlyakhov, 1984 | Program: not specified |
Capillary | OV-1 | 1709. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1709. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Apiezon L | 1687. | Douglas, Blumer, et al., 1971 | Program: not specified |
Capillary | RTV-502 | 1712. | Blumer and Thomas, 1965 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1668. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 1664. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 1675. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1675. | Blumer and Thomas, 1965 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 283.84 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5MS | 288.01 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
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.
Shlyakhov, 1984
Shlyakhov, A.F.,
Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]
Fisch, Olácsi, et al., 1980
Fisch, I.; Olácsi, I.; Takács, J.; Vörós, J.,
Pyrolysis and gas chromatographic examination of phytol and isoprenoid hydrocarbons. Pre-calculation of retention indices by computer,
J. Anal. Appl. Pyrolysis, 1980, 1, 4, 275-295, https://doi.org/10.1016/0165-2370(80)80013-1
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Shlyakhov, Anvaer, et al., 1975
Shlyakhov, A.F.; Anvaer, B.I.; Zolotareva, O.V.; Romina, N.N.; Novikova, N.V.; Koreshkova, R.I.,
On the possibility of group indentification of hydrocarbons by gas chromatography from temperature coefficients of retention indices,
Zh. Anal. Khim., 1975, 30, 788-792. [all data]
Shlyakhov, Koreshkova, et al., 1975
Shlyakhov, A.F.; Koreshkova, R.I.; Telkova, M.S.,
Gas Chromatography of Isoprenoid Alkanes,
J. Chromatogr., 1975, 104, 2, 337-349, https://doi.org/10.1016/S0021-9673(00)91857-0
. [all data]
Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T.,
Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada),
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Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
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Khorasheh, Gray, et al., 1989
Khorasheh, F.; Gray, M.R.; Selucky, M.L.,
Correlation for Kováts retention index of C9-C26 monoalkyl and polymethyl alkanes and alkenes,
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Berthou and Friocourt, 1981
Berthou, F.; Friocourt, M.P.,
Gas Chromatographic Separation of Diastereomeric Isoprenoids as Molecular Markers of Oil Pollution,
J. Chromatogr., 1981, 219, 3, 393-402, https://doi.org/10.1016/S0021-9673(00)80383-0
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Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Turchini, Giani, et al., 2004
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.; Valfrè, F.,
Discrimination of origin of farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Anim. Sci., 2004, 3, 123-140. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
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Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T.,
Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor,
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Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
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Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
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Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R.,
Volatile components in blue crab (Callinectes sapidus) meat and processing by-product,
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Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
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Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
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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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Li and Zhao, 2009
Li, L.; Zhao, J.,
Determination of the volatile composition of Rhodobryum giganteum (Schwaegr.) Par. (Bryaceae) using solid-phase microextraction and gas chromatography / mass spectrometry (GC/MS),
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Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M.,
Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.,
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King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
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Albaigès, Borbón, et al., 1981
Albaigès, J.; Borbón, J.; Gassiot, M.,
Gas chromatographic-mass spectrometric identification of geochemically significant isoalkane hydrocarbons,
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Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M.,
Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS,
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Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O.,
Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham,
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Cripps, G.C.,
Biogenic hydrocarbons in the particulate material of the water column of the Bellingshausen Sea, Antarctica, in the region of the marginal ice zone,
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Petrov, A.A.,
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
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Douglas, A.G.; Blumer, M.; Eglinton, G.; Douraghi-Zadeh, K.,
Gas chromatographic-mass spectrometric characterization of naturally-occurring acyclic isoprenoid carboxylic acids,
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Blumer, M.; Thomas, D.W.,
Zamene, isomeric C19 monoolefins from marine zooplankton, fishes, and mammals,
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Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
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Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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