Dibenzothiophene, 3-methyl-
- Formula: C13H10S
- Molecular weight: 198.283
- IUPAC Standard InChI: InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3
- IUPAC Standard InChIKey: URUCEYZTJIJMLX-UHFFFAOYSA-N
- CAS Registry Number: 16587-52-3
- 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: 3-Methyldibenzo[b,d]thiophene; 3-Methyldibenzothiophene
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- Other data available:
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Lee's RI, non-polar column, custom temperature program
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 | HP-5MS | DB-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Program | not specified | 60C (1 min) => 45 C/min => 150C (2 min) => 2 C/min => 300 C (25 min) | 110C(1min) => 40C/min => 160C => 10C/min => 300C925min) | 35C(2min) => 25C/min => 160C => 3C/min => 300C(25min) | 35C => 25C/min => 160C => 3C/min => 300C(50min) |
| I | 316.00 | 313.98 | 313.9 | 313.9 | 316.0 |
| Reference | Zhou, Wang, et al., 2004 | Mössner, de Alda, et al., 1999 | Becker and Colmsjö, 1998 | Becker and Colmsjö, 1998 | Becker, Nilsson, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SE-30 | DB-5 | CP Sil 8 CB | CP Sil 8 CB |
| Column length (m) | 30. | 25. | 30. | 50. | 50. |
| Carrier gas | He | Nitrogen | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) | not specified | 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C | not specified | not specified |
| I | 314.61 | 316.32 | 315.7 | 315.8 | 316.2 |
| Reference | Zamperlini, Silva, et al., 1997 | Wang, Xue, et al., 1994 | Paschke, Herbel, et al., 1992 | Bundt, Herbel, et al., 1991 | Bundt, Herbel, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Lee's RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Mössner, de Alda, et al., 1999
Mössner, S.G.; de Alda, M.J.L.; Sander, L.C.; Lee, M.L.; Wise, S.A.,
Gas chromatographic retention behavior of polycyclic aromatic sulfur heterocyclic compounds, (dibenzothiophene, naphtho[b]thiophenes, benzo[b]naphthothiophenes and alkyl-substituted derivatives) on stationary phases of different selectivity,
J. Chromatogr. A, 1999, 841, 2, 207-228, https://doi.org/10.1016/S0021-9673(99)00363-5
. [all data]
Becker and Colmsjö, 1998
Becker, G.; Colmsjö, A.,
Gas chromatography-atomic emission detection for quantification of polycyclic aromatic sulfur heterocycles,
Anal. Chim. Acta., 1998, 376, 3, 265-272, https://doi.org/10.1016/S0003-2670(98)00546-7
. [all data]
Becker, Nilsson, et al., 1998
Becker, G.; Nilsson, U.; Colmsjö, A.; Östman, C.,
Determination of polycyclic aromatic sulfur heterocyclic compounds in airborne particulate by gas chromatography with atomic emission and mass spectrometric detection,
J. Chromatogr. A, 1998, 826, 1, 57-66, https://doi.org/10.1016/S0021-9673(98)00729-8
. [all data]
Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W.,
Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry,
Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527
. [all data]
Wang, Xue, et al., 1994
Wang, X.; Xue, W.; Zhu, J.; Gu, Y.; Sheng, G.; Fu, J.,
Characterization of polynuclear aromatic sulfur heterocycles in a coal,
J. Fuel Chemistry and Technology, 1994, 22, 2, 196-202. [all data]
Paschke, Herbel, et al., 1992
Paschke, A.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W.,
Determination of mono- to tetracyclic aromatic hydrocarbons in lubricating oil,
J. Hi. Res. Chromatogr., 1992, 15, 12, 827-833, https://doi.org/10.1002/jhrc.1240151211
. [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]
Notes
Go To: Top, Lee's RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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