Dibenzothiophene, 3-methyl-
- Formula: C13H10S
- Molecular weight: 198.283
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | DB-5MS | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | Helium | He | 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. | 60. | 35. | 35. |
Tend (C) | 340. | 300. | 300. | 300. | 300. |
Heat rate (K/min) | 5. | 6. | 10. | 3. | 3. |
Initial hold (min) | 1. | 2. | 1. | ||
Final hold (min) | 0. | 16. | |||
I | 315.68 | 315.17 | 315.51 | 313.83 | 313.83 |
Reference | Zeigler, Schantz, et al., 2012 | Sun, Zhou, et al., 2008 | Schade and Andersson, 2006 | 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-5 | DB-5 | SE-30 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 25. | 50. |
Carrier gas | He | He | Nitrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.20 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 65. | 110. | 50. | 80. | 80. |
Tend (C) | 290. | 325. | 300. | 290. | 300. |
Heat rate (K/min) | 3. | 10. | 6. | 4. | 4. |
Initial hold (min) | 5. | 1. | 2. | ||
Final hold (min) | 20. | 5. | |||
I | 315.43 | 315.1 | 315.57 | 316.72 | 315.7 |
Reference | Zhou, Wang, et al., 2004 | Becker and Colmsjö, 1998 | Wang, Fingas, et al., 1994 | Wang, Xue, et al., 1994 | Bundt, Herbel, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-5 | OV-73 | SE-52 |
Column length (m) | 30. | 68. | 20. |
Carrier gas | H2 | ||
Substrate | |||
Column diameter (mm) | 0.32 | 0.28 | 0.30 |
Phase thickness (μm) | 0.15 | 0.25 | |
Tstart (C) | 80. | 40. | |
Tend (C) | 300. | 265. | |
Heat rate (K/min) | 3.5 | 1.5 | 4. |
Initial hold (min) | 1. | 2. | |
Final hold (min) | 10. | ||
I | 316.2 | 315.8 | 316.32 |
Reference | Palmentier, Britten, et al., 1989 | Arpino, Ignatiadis, et al., 1987 | Vassilaros, Kong, et al., 1982 |
Comment | 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.
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]
Schade and Andersson, 2006
Schade, T.; Andersson, J.T.,
Speciation of alkylated dibenzothiophenes through correlation of structure and gas chromatographic retention indexes,
J. Chromatogr. A, 2006, 1117, 2, 206-213, https://doi.org/10.1016/j.chroma.2006.03.079
. [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]
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]
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]
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]
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]
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]
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]
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.