2-Acetyl-3-ethylpyrazine
- Formula: C8H10N2O
- Molecular weight: 150.1778
- IUPAC Standard InChI: InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: PPJSYGVFDJEMRP-UHFFFAOYSA-N
- CAS Registry Number: 32974-92-8
- 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: Ethanone, 1-(3-ethylpyrazinyl)-; 1-(3-Ethyl-2-pyrazinyl)ethanone; 2-Ethyl-3-acetyl pyrazine; 3-Ethyl-2-acetylpyrazine; Pyrazine, 2-acetyl-3-ethyl; 1-(3-ethylpyrazinyl)ethan-1-one
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 136051 |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1142. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C |
| Capillary | HP-5 | 1168. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C |
| Capillary | SLB-5MS | 1172. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C |
| Capillary | OV-101 | 1138. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1138. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1158. | Yu and Zhang, 2010 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min) |
| Capillary | SLB-5MS | 1158. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium; Program: not specified |
| Capillary | OV-1 | 1135. | El-Shazly and Hussein, 2004 | He; Column length: 15. m; Column diameter: 0.317 mm; Program: 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) |
| Capillary | HP-5 | 1167. | Hartmann, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min) |
| Capillary | HP-5 | 1170. | Hartmann, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min) |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1138. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1617. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1617. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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.
Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J.,
Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae),
J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Mihara and Masuda, 1987
Mihara, S.; Masuda, H.,
Correlation between molecular structures and retention indices of pyrazines,
J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8
. [all data]
Mihara and Enomoto, 1985
Mihara, S.; Enomoto, N.,
Calculation of retention indices of pyrazines on the basis of molecular structure,
J. Chromatogr., 1985, 324, 428-430, https://doi.org/10.1016/S0021-9673(01)81342-X
. [all data]
Yu and Zhang, 2010
Yu, A.-N.; Zhang, A.-D.,
The effect of pH on the total formation of aroma compounds produced by hearting a model system containing L-ascorbic acid with L-threonine/L-serine,
Food Chem., 2010, 119, 1, 214-219, https://doi.org/10.1016/j.foodchem.2009.06.026
. [all data]
El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T.,
Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae),
Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009
. [all data]
Hartmann, 2003
Hartmann, P.J.,
The effect of wine matrix ingredients on 3-alkyl-2-methoxypyrazines measurements by headspace solid-phase microextraction (HS-SPME), Master's Thesis, Virginia Tech., Blacksburg, Va., 2003, 30. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- 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.