Oxazole, 4,5-dimethyl-
- Formula: C5H7NO
- Molecular weight: 97.1152
- IUPAC Standard InChIKey: YVORRVFKHZLJGZ-UHFFFAOYSA-N
- CAS Registry Number: 20662-83-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4,5-Dimethyloxazole; 5-Methyl-4-methyloxazole
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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. |
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NIST MS number | 903 |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 110. | 765. | Golovnya, Zhuravleva, et al., 1991 | 50. m/0.30 mm/0.4 μm, He |
Capillary | OV-101 | 110. | 763. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
Capillary | OV-101 | 110. | 763. | Golovnya, Shenderyuk, et al., 1989 | 40. m/0.28 mm/0.40 μm, He |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 110. | 1145. | Golovnya, Zhuravleva, et al., 1991 | 50. m/0.30 mm/0.4 μm, He |
Capillary | PEG-40M | 110. | 1158. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
Capillary | PEG-40M | 110. | 1153. | Golovnya, Shenderyuk, et al., 1989 | 47. m/0.30 mm/0.40 μm, He |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1152. | Yeo and Shibamoto, 1991 | He, 60. C @ 4. min, 4. K/min, 180. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 796. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | BPX-5 | 750. | 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 |
Capillary | BPX-5 | 750. | 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 |
Capillary | BPX-5 | 761. | Ames, Guy, et al., 2001, 2 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BP-5 | 771. | Whitfield and Mottram, 2001 | 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 769. | Lu, Hao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 3C/min => 209C => 20C/min => 280C |
Capillary | CP-Sil 8CB-MS | 760. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1142. | 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 | 1152. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | MDN-5 | 755. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1139. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | HP-Wax | 1163. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | DB-Wax | 1156. | Eiserich, Macku, et al., 1992 | He, 60. C @ 4. min, 4. K/min, 180. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1151. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 1152. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Carbowax | 1139. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1139. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1139. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1140. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1141. | Baltes and Bochmann, 1987 | Program: not specified |
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.
Golovnya, Zhuravleva, et al., 1991
Golovnya, R.V.; Zhuravleva, I.L.; Yakush, E.V.; Schenderjuk, V.V.,
Retentions of alkyloxazoles and alkythiazoles and their prediction based on non-linear additivity concepts in gas chromatography,
J. Chromatogr., 1991, 552, 1-12, https://doi.org/10.1016/S0021-9673(01)95918-7
. [all data]
Zhuravleva, Shenderyuk, et al., 1990
Zhuravleva, I.L.; Shenderyuk, V.V.; Yakush, E.V.; Golovnya, R.V.,
Calculation of retention indexes of alkyloxazoles and alkylthiazoles in capillary chromatography,
Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1990, 6, 6, 1204-1210, https://doi.org/10.1007/BF00962384
. [all data]
Golovnya, Shenderyuk, et al., 1989
Golovnya, R.V.; Shenderyuk, V.V.; Zhuravleva, I.L.; Yakush, E.V.,
Use of a principle of non-additivity of sorption energies for calculation of retention indices of alkyloxazoles in capillary chromatography,
Zh. Anal. Khim., 1989, 44, 2037-2042. [all data]
Yeo and Shibamoto, 1991
Yeo, H.C.H.; Shibamoto, T.,
Microwave-induced volatiles of the Maillard model system under different pH conditions,
J. Agric. Food Chem., 1991, 39, 2, 370-373, https://doi.org/10.1021/jf00002a029
. [all data]
Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B.,
Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005
. [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]
Ames, Guy, et al., 2001, 2
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems,
J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m
. [all data]
Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S.,
Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5,
J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644
. [all data]
Lu, Hao, et al., 2005
Lu, C.-Y.; Hao, Z.; Payne, R.; Ho, C.-T.,
Effects of water content on volatile generation and peptide degradation in the Maillard reaction of glycine, diglycine, and triglycine,
J. Agric. Food Chem., 2005, 53, 16, 6443-6447, https://doi.org/10.1021/jf050534p
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [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]
Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Eiserich, Macku, et al., 1992
Eiserich, J.P.; Macku, C.; Shibamoto, T.,
Volatile antioxidants formed from an L-cysteine/D-glucose Maillard model system,
J. Agric. Food Chem., 1992, 40, 10, 1982-1988, https://doi.org/10.1021/jf00022a050
. [all data]
Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040
. [all data]
Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G.,
Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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