Thiophene, 3-phenyl-
- Formula: C10H8S
- Molecular weight: 160.236
- IUPAC Standard InChI: InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H
- IUPAC Standard InChIKey: ZDQZVKVIYAPRON-UHFFFAOYSA-N
- CAS Registry Number: 2404-87-7
- 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-Phenylthiophene
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
| NIST MS number | 27641 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1376. | Rochat S., de Saint Laumer J.Y., et al., 2007 | 20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min |
| Capillary | DB-1 | 1379. | Rochat S., de Saint Laumer J.Y., et al., 2007 | 20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min |
| Capillary | DB-1 | 1387. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 2107. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | DB-Wax | 2124. | Kim, 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
| Capillary | Supelcowax-10 | 2140. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1377. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1377. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2090. | Buttery, Ling, et al., 1983 | 50. C @ 30. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rochat S., de Saint Laumer J.Y., et al., 2007
Rochat S.; de Saint Laumer J.Y.; Chaintreau A.,
Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2007, 1147, 1, 85-94, https://doi.org/10.1016/j.chroma.2007.02.039
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R.,
Effect of pH on the volatiles of hydrolyzed protein insect baits,
J. Agric. Food Chem., 1989, 37, 3, 814-819, https://doi.org/10.1021/jf00087a053
. [all data]
Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R.,
Insect attractants: volatiles of hydrolizyed protein insect baits,
J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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