5-Ethylthiazole
- Formula: C5H7NS
- Molecular weight: 113.181
- IUPAC Standard InChI: InChI=1S/C5H7NS/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3
- IUPAC Standard InChIKey: ASAMCDOTLOUAAR-UHFFFAOYSA-N
- CAS Registry Number: 17626-73-2
- 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: Thiazole, 5-ethyl-
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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 | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249121 |
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-5 | 951. | Methven L., Tsoukka M., et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min |
| Capillary | DB-1 | 914. | 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 | 917. | 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 | BPX-5 | 955. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 959. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
| Capillary | DB-5 | 940. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 914. | Chantreau, Rochat, et al., 2006 | 20. m/0.18 mm/0.18 μm; Program: not specified |
| Capillary | DB-1 | 917. | Chantreau, Rochat, et al., 2006 | 20. m/0.18 mm/0.18 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1315. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
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.
Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611
. [all data]
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]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [all data]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Chantreau, Rochat, et al., 2006
Chantreau, A.; Rochat, S.; de Saint Laumer, J.-Y.,
Re-investigation of sulfur impact odorants in roast beef using comprehensive two-dimensional GC-TOF-MS and the GC-SNIF,
Developments Food. Sci., 2006, 43, 601-604. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [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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