Naphthalene, 2,3,6-trimethyl-
- Formula: C13H14
- Molecular weight: 170.2503
- IUPAC Standard InChIKey: UNBZRJCHIWTUHB-UHFFFAOYSA-N
- CAS Registry Number: 829-26-5
- 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. - Other names: 2,3,6-Trimethylnaphthalene
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Lee's 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-5MS | DB-5MS | PTE-5 | DB-5 | SE-52 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.30 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 50. | 40. | 60. | 50. | 40. |
Tend (C) | 300. | 310. | 300. | 300. | 250. |
Heat rate (K/min) | 6. | 10. | 8. | 15. | 4. |
Initial hold (min) | 2. | 1. | 1.5 | ||
Final hold (min) | 16. | 12.5 | |||
I | 264.76 | 264.98 | 263.83 | 265.3 | 261.83 |
Reference | Sun, Zhou, et al., 2008 | Chen, Keeran, et al., 2002 | Wang, Jia, et al., 2000 | Durlak, Biswas, et al., 1998 | Wang, Peng, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | CP Sil 8 CB | DB-5 | SE-54 |
Column length (m) | 25. | 30. | 50. | 60. | 20. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.32 | 0.25 | 0.20 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.20 | ||
Tstart (C) | 60. | 50. | 80. | 70. | 50. |
Tend (C) | 270. | 300. | 300. | 300. | 300. |
Heat rate (K/min) | 5. | 6. | 4. | 2. | 4. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 10. | ||||
I | 265.43 | 265.16 | 265.1 | 263.20 | 264.66 |
Reference | Williams and Horne, 1995 | Wang, Fingas, et al., 1994 | Bundt, Herbel, et al., 1991 | Forster, Alexander, et al., 1989 | Guillén, Blanco, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | SE-52 | SE-52 |
Column length (m) | 30. | 30. | 30. | 20. | 12. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.32 | 0.30 | 0.3 |
Phase thickness (μm) | 0.25 | 0.25 | 0.34 | ||
Tstart (C) | 50. | 90. | 80. | 40. | 50. |
Tend (C) | 300. | 325. | 300. | 265. | 250. |
Heat rate (K/min) | 6. | 4. | 3. | 4. | 2. |
Initial hold (min) | 4. | 1. | 2. | ||
Final hold (min) | 20. | 10. | |||
I | 264.99 | 263.87 | 263.252 | 265.09 | 263.31 |
Reference | Rostad and Pereira, 1986 | Tong, Centen, et al., 1985 | Tong, Shore, et al., 1984 | Vassilaros, Kong, et al., 1982 | Lee, Vassilaros, et al., 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Lee's 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.
Sun, Zhou, et al., 2008
Sun, P.; Zhou, Q.; Li, G.; Wang, X.; Zhao, Y.; Cao, L.,
fingerprint analysis of polycyclic aromatic hydrocarbons in crude oil by internal standard method,
J. Instrumental Anal., 2008, 27, 4, 344-348. [all data]
Chen, Keeran, et al., 2002
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]
Wang, Jia, et al., 2000
Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K.,
Characterization of polycyclic aromatic hydrocarbons created in lubricating oils,
Water Air Soil Poll., 2000, 120, 3/4, 381-396, https://doi.org/10.1023/A:1005251618062
. [all data]
Durlak, Biswas, et al., 1998
Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J.,
Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion,
Environ. Sci. Technol., 1998, 32, 15, 2301-2307, https://doi.org/10.1021/es9709031
. [all data]
Wang, Peng, et al., 1997
Wang, Y.; Peng, P.; Cui, S.; Zhang, Y.,
Identification of PAH in the Suzhou River bed sediments by GC/MS and PAH retention index system,
J. Nanjing Norm. Univ. (Nat. Sci.), 1997, 20, 2, 47-68. [all data]
Williams and Horne, 1995
Williams, P.T.; Horne, P.A.,
Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass,
J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H
. [all data]
Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K.,
Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II,
J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367
. [all data]
Bundt, Herbel, et al., 1991
Bundt, J.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W.,
Structure-type separation of diesel fuels by solid phase extraction and identification of the two- and three-ring aromatics by capillary GC-mass spectrometry,
J. Hi. Res. Chromatogr., 1991, 14, 2, 91-98, https://doi.org/10.1002/jhrc.1240140205
. [all data]
Forster, Alexander, et al., 1989
Forster, P.G.; Alexander, R.; Kagi, R.I.,
Identification and analysis of tetramethylnaphthalenes in petroleum,
J. Chromatogr., 1989, 483, 384-389, https://doi.org/10.1016/S0021-9673(01)93138-3
. [all data]
Guillén, Blanco, et al., 1989
Guillén, M.D.; Blanco, J.; Bermejo, J.; Blanco, C.G.,
Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54,
J. Hi. Res. Chromatogr., 1989, 12, 8, 552-554, https://doi.org/10.1002/jhrc.1240120816
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Tong, Centen, et al., 1985
Tong, H.Y.; Centen, J.D.; Karasek, F.W.; Jellum, E.; Helland, P.,
Identification of Trace Organic Compounds in Dimethyl Sulphoxide Solution Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1985, 324, 373-383, https://doi.org/10.1016/S0021-9673(01)81336-4
. [all data]
Tong, Shore, et al., 1984
Tong, H.Y.; Shore, D.L.; Karasek, F.W.; Helland, P.; Jellum, E.,
Identification of organic compounds obtained from incineration of municipal waste by high-performance liquid chromatographic fractionation and gas chromatography-mass spectrometry,
J. Chromatogr., 1984, 285, 423-441, https://doi.org/10.1016/S0021-9673(01)87784-0
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Notes
Go To: Top, Lee's RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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