Phenanthrene, 1-methyl-
- Formula: C15H12
- Molecular weight: 192.2558
- IUPAC Standard InChI: InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
- IUPAC Standard InChIKey: DOWJXOHBNXRUOD-UHFFFAOYSA-N
- CAS Registry Number: 832-69-9
- 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: 1-Methylphenanthrene
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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 | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 60. | ||
| Carrier gas | Helium | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 80. | 50. | 35. |
| Tend (C) | 300. | 250. | 300. | 310. | 300. |
| Heat rate (K/min) | 6. | 2. | 8. | 6. | 3. |
| Initial hold (min) | 2. | 2. | 1.5 | ||
| Final hold (min) | 16. | 10. | 10. | ||
| I | 323.59 | 323.90 | 323.60 | 323.79 | 323.52 |
| Reference | Sun, Zhou, et al., 2008 | Skrbic and Onjia, 2006 | Skrbic and Onjia, 2006 | Pedersen, Durant, et al., 2005 | Marynowski, Pieta, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | PTE-5 | DB-5 | DB-5 | SPB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.3 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 60. | 60. | 50. | 40. |
| Tend (C) | 310. | 300. | 270. | 300. | 300. |
| Heat rate (K/min) | 4. | 8. | 5. | 6. | 4. |
| Initial hold (min) | 1. | 1.5 | 2. | 2. | 2. |
| Final hold (min) | 12.5 | ||||
| I | 323.67 | 323.92 | 324.21 | 323.78 | 323.7 |
| Reference | Chen, Keeran, et al., 2002 | Wang, Jia, et al., 2000 | Williams and Horne, 1995 | Wang, Fingas, et al., 1994 | Knobloch and Engewald, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 8 CB | DB-5 | DB-5 | DB-5 | SE-52 |
| Column length (m) | 50. | 30. | 30. | 30. | 20. |
| Carrier gas | He | He | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.26 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 80. | 40. | 50. | 40. |
| Tend (C) | 300. | 300. | 280. | 300. | 265. |
| Heat rate (K/min) | 4. | 3.5 | 4. | 6. | 4. |
| Initial hold (min) | 1. | 2. | 4. | 2. | |
| Final hold (min) | 10. | 5. | 20. | ||
| I | 323.9 | 324.0 | 323.52 | 323.79 | 323.64 |
| Reference | Bundt, Herbel, et al., 1991 | Palmentier, Britten, et al., 1989 | Wise, Benner, et al., 1988 | Rostad and Pereira, 1986 | Vassilaros, Kong, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-52 |
| Column length (m) | 12. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.3 |
| Phase thickness (μm) | 0.34 |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 323.90 |
| Reference | Lee, Vassilaros, et al., 1979 |
| Comment | 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]
Skrbic and Onjia, 2006
Skrbic, B.; Onjia, A.,
Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks,
J. Chromatorg. A, 2006, 1108, 2, 279-284, https://doi.org/10.1016/j.chroma.2006.01.080
. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [all data]
Marynowski, Pieta, et al., 2004
Marynowski, L.; Pieta, M.; Janeczek, J.,
Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland,
Geol. Q., 2004, 48, 2, 169-180. [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]
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]
Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W.,
Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves,
J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407
. [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]
Palmentier, Britten, et al., 1989
Palmentier, J.-P.F.; Britten, A.J.; Charbonneau, G.M.; Karasek, F.W.,
Determination of polycyclic aromatic hydrocarbons in lubricating oil base stocks using high-performance liquid chromatography and gas chromatography-mass spectrometry,
J. Chromatogr., 1989, 469, 241-251, https://doi.org/10.1016/S0021-9673(01)96459-3
. [all data]
Wise, Benner, et al., 1988
Wise, S.A.; Benner, B.A.; Byrd, G.D.; Chesler, S.N.; Rebbert, R.E.; Schantz, M.M.,
Determination of polycyclic aromatic hydrocarbons in a coal tar standard reference material,
Anal. Chem., 1988, 60, 9, 887-894, https://doi.org/10.1021/ac00160a012
. [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]
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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