Dibenzothiophene
- Formula: C12H8S
- Molecular weight: 184.257
- IUPAC Standard InChI: InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
- IUPAC Standard InChIKey: IYYZUPMFVPLQIF-UHFFFAOYSA-N
- CAS Registry Number: 132-65-0
- 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: [1,1'-Biphenyl]-2,2'-diyl sulfide; Dibenzo[b,d]thiophene; Diphenylene sulfide; 2,2'-Biphenylylene sulfide; 9-Thiafluorene; α-Thiafluorene
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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 | Rxi-5 MS | DB-5MS | HP-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 35. | 35. |
| Tend (C) | 340. | 300. | 310. | 300. | 300. |
| Heat rate (K/min) | 5. | 6. | 6. | 3. | 3. |
| Initial hold (min) | 1. | 2. | 1.5 | ||
| Final hold (min) | 0. | 16. | 10. | ||
| I | 295.47 | 295.99 | 296.06 | 295.59 | 295.59 |
| Reference | Zeigler, Schantz, et al., 2012 | Sun, Zhou, et al., 2008 | Pedersen, Durant, et al., 2005 | Marynowski, Pieta, et al., 2004 | 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 | HP-5MS | DB-5MS | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
| Tstart (C) | 65. | 40. | 50. | 50. | 60. |
| Tend (C) | 290. | 310. | 300. | 300. | 270. |
| Heat rate (K/min) | 3. | 10. | 15. | 15. | 5. |
| Initial hold (min) | 5. | 1. | 2. | ||
| Final hold (min) | 20. | ||||
| I | 295.73 | 295.85 | 295.6 | 295.6 | 296.01 |
| Reference | Zhou, Wang, et al., 2004 | Chen, Keeran, et al., 2002 | Durlak, Biswas, et al., 1998 | Durlak, Biswas, et al., 1998 | Williams and Bottrill, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PB-1 | DB-5 | DB-5 | SPB-5 | CP Sil 8 CB |
| Column length (m) | 50. | 30. | 30. | 30. | 50. |
| Carrier gas | H2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 80. | 50. | 40. | 80. |
| Tend (C) | 270. | 270. | 300. | 300. | 300. |
| Heat rate (K/min) | 4. | 4. | 6. | 4. | 4. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 5. | 5. | |||
| I | 295.77 | 295.78 | 295.96 | 296.3 | 295.9 |
| Reference | Andersson and Weis, 1994 | Andersson and Weis, 1994 | Wang, Fingas, et al., 1994 | Knobloch and Engewald, 1993 | Bundt, Herbel, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | DB-5 | DB-5 | OV-73 | DB-5 |
| Column length (m) | 25. | 30. | 30. | 68. | 30. |
| Carrier gas | H2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.28 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | ||
| Tstart (C) | 50. | 80. | 40. | 50. | |
| Tend (C) | 300. | 300. | 280. | 300. | |
| Heat rate (K/min) | 4. | 3.5 | 4. | 1.5 | 6. |
| Initial hold (min) | 1. | 2. | 4. | ||
| Final hold (min) | 10. | 5. | 20. | ||
| I | 295.95 | 295.4 | 295.59 | 295.9 | 296.03 |
| Reference | Blanco, Blanco, et al., 1989 | Palmentier, Britten, et al., 1989 | Wise, Benner, et al., 1988 | Arpino, Ignatiadis, et al., 1987 | Rostad and Pereira, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | SE-52 | SE-52 | SE-52 |
| Column length (m) | 30. | 30. | 19.6 | 20. | 20. |
| Carrier gas | He | He | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.30 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 90. | 80. | 40. | 40. | 40. |
| Tend (C) | 325. | 300. | 280. | 265. | 265. |
| Heat rate (K/min) | 4. | 3. | 8. | 4. | 4. |
| Initial hold (min) | 1. | 2. | 2. | ||
| Final hold (min) | 10. | ||||
| I | 294.74 | 295.312 | 296.00 | 295.39 | 296.01 |
| Reference | Tong, Centen, et al., 1985 | Tong, Shore, et al., 1984 | Kong, Lee, et al., 1982 | Vassilaros, Kong, et al., 1982 | 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 | 295.81 |
| 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.
Zeigler, Schantz, et al., 2012
Zeigler, C.; Schantz, M.; Wise, S.; Robbat, A.,
Mass spectra and retention indices for polycyclic aromatic sulfur heterocycles and some alkylated analogs,
Polycyclic Aromatic Compounds, 2012, 32, 2, 154-176, https://doi.org/10.1080/10406638.2011.651679
. [all data]
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]
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]
Zhou, Wang, et al., 2004
Zhou, J.; Wang, T.; Shi, Q.; Huang, Y.; Mao, T.; Zhong, N.; Zhang, Y.; Zhang, X.,
Determination of sulfur and oxygen containing polycyclic aromatic hydrocarbons in inhalable particulate by gas chromatography - mass spectrometry,
J. Chin. Mass Spectrom. Soc., 2004, 25, 3, 134-140. [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]
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]
Williams and Bottrill, 1995
Williams, P.T.; Bottrill, R.P.,
Sulfur-polycyclic aromatic hydrocarbons in tyre pyrolysis oil,
Fuel, 1995, 74, 5, 736-742, https://doi.org/10.1016/0016-2361(94)00005-C
. [all data]
Andersson and Weis, 1994
Andersson, J.T.; Weis, U.,
Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards,
J. Chromatogr. A, 1994, 659, 1, 151-161, https://doi.org/10.1016/0021-9673(94)85017-8
. [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]
Blanco, Blanco, et al., 1989
Blanco, C.G.; Blanco, J.; Bermejo, J.; Guillen, M.D.,
Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phases,
J. Chromatogr., 1989, 465, 3, 378-385, https://doi.org/10.1016/S0021-9673(01)92675-5
. [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]
Arpino, Ignatiadis, et al., 1987
Arpino, P.J.; Ignatiadis, I.; de Rycke, G.,
Sulphur-containing polynuclear aromatic hydrocarbons from petroleum. Examination of their possible statistical formation in sediments,
J. Chromatogr., 1987, 390, 2, 329-348, https://doi.org/10.1016/S0021-9673(01)94385-7
. [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]
Kong, Lee, et al., 1982
Kong, R.C.; Lee, M.L.; Tominaga, Y.; Pratap, R.; Iwao, M.; Castle, R.N.; Wise, S.A.,
Capillary Column Gas Chromatographic Resolution of Isomeric Polycylic Aromatic Sulfur Heterocycles in a Coal Liquid,
J. Chromatogr. Sci., 1982, 20, 11, 502-510, https://doi.org/10.1093/chromsci/20.11.502
. [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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