Benzo[b]fluoranthene
- Formula: C20H12
- Molecular weight: 252.3093
- IUPAC Standard InChI: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
- IUPAC Standard InChIKey: FTOVXSOBNPWTSH-UHFFFAOYSA-N
- CAS Registry Number: 205-99-2
- 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: Benz[e]acephenanthrylene; Benzo[e]fluoranthene; 2,3-Benzofluoranthrene; Benzo[e]acephenanthrylene; B(b)F; 2,3-Benzofluoranthene; 4,5-Benzofluoranthene; 2,3-Benzfluoranthene; 3,4-Benzfluoranthene; 3,4-Benzofluoranthene; Benz[b]fluoranthene; 3,4-Benz[e]acephenanthrylene; NSC 89265
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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 | PE-5 | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | HP-5 | HP-5 |
| Column length (m) | 20. | 30. | 60. | ||
| Carrier gas | Helium | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.18 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 80. | 50. | 35. |
| Tend (C) | 345. | 250. | 300. | 310. | 300. |
| Heat rate (K/min) | 8. | 2. | 8. | 6. | 3. |
| Initial hold (min) | 1.5 | 2. | 1.5 | ||
| Final hold (min) | 10. | 10. | |||
| I | 442.6 | 441.74 | 442.10 | 443.19 | 443.11 |
| Reference | Jamoussi, Kanzari, et al., 2007 | 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 | HP-5 | HP-5 | SE-54 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 60. | 50. | 50. | 50. |
| Tend (C) | 310. | 300. | 280. | 280. | 300. |
| Heat rate (K/min) | 4. | 8. | 4. | 4. | 4. |
| Initial hold (min) | 1. | 1.5 | 2. | 2. | |
| Final hold (min) | 12.5 | 20. | 20. | ||
| I | 442.34 | 440.81 | 441.76 | 441.80 | 442.63 |
| Reference | Chen, Keeran, et al., 2002 | Wang, Jia, et al., 2000 | Piao, Chu, et al., 1999 | Piao, Chu, et al., 1999 | Chen, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-52 | DB-5 | SPB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 40. | 40. | 40. | 50. |
| Tend (C) | 300. | 285. | 300. | 280. | 300. |
| Heat rate (K/min) | 4. | 8. | 4. | 4. | 6. |
| Initial hold (min) | 2. | 3. | 2. | 2. | 4. |
| Final hold (min) | 20. | 29.5 | 5. | 20. | |
| I | 443.65 | 430.0 | 444.0 | 443.11 | 439.51 |
| Reference | Shaogang and Xiaobai, 1994 | Donnelly, Abdel-Hamid, et al., 1993 | Knobloch and Engewald, 1993 | Wise, Benner, et al., 1988 | Rostad and Pereira, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SE-52 | SE-52 |
| Column length (m) | 20. | 12. |
| Carrier gas | H2 | He |
| Substrate | ||
| Column diameter (mm) | 0.30 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.34 |
| Tstart (C) | 40. | 50. |
| Tend (C) | 265. | 250. |
| Heat rate (K/min) | 4. | 2. |
| Initial hold (min) | 2. | |
| Final hold (min) | ||
| I | 443.13 | 441.74 |
| Reference | Vassilaros, Kong, et al., 1982 | Lee, Vassilaros, et al., 1979 |
| Comment | 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.
Jamoussi, Kanzari, et al., 2007
Jamoussi, B.; Kanzari, F.; Hassine, B.B.; Abderrabba, A.,
Using Bezier curves for the calculation of retention indices of polycyclic aromatic hydrocarbons in the so-called Lee's scale in temperature-programmed gas chromatography with mass spectrometry detection,
J. Chromatogr. Sci., 2007, 45, 1, 22-27, https://doi.org/10.1093/chromsci/45.1.22
. [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]
Piao, Chu, et al., 1999
Piao, M.; Chu, S.; Zheng, M.; Xu, X.,
Characterization of the combustion products of polyethylene,
Chemosphere, 1999, 39, 9, 1497-1512, https://doi.org/10.1016/S0045-6535(99)00054-5
. [all data]
Chen, 1996
Chen, J.,
GC and GC/MS methods for the analysis of polycyclic aromatic hydrocarbon (PAH) in sediment of the grand canal of China,
Toxicol. Environ. Chem., 1996, 54, 1-4, 69-73, https://doi.org/10.1080/02772249609358297
. [all data]
Shaogang and Xiaobai, 1994
Shaogang, C.; Xiaobai, X.,
System for calculating the linear temperature-programmed retention indices of polycylic aromatic compounds,
J. Hi. Res. Chromatogr., 1994, 17, 5, 339-342, https://doi.org/10.1002/jhrc.1240170511
. [all data]
Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F.,
Application of gas chromatographic retention properties to the identification of environmental contaminants,
J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I
. [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]
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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