Acetylpyrazine
- Formula: C6H6N2O
- Molecular weight: 122.1246
- IUPAC Standard InChI: InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
- IUPAC Standard InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N
- CAS Registry Number: 22047-25-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Species with the same structure:
- Other names: 2-Acetylpyrazine; Ethanone, 1-pyrazinyl-; Ketone, methyl pyrazinyl; pyrazin-1-ylethan-1-one
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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 | DB-5 | DB-5 | SLB-5MS | CP Sil 5 CB | SE-54 |
| Column length (m) | 30. | 30. | 10. | 50. | 25. |
| Carrier gas | Hydrogen | Hydrogen | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.18 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.18 | 1.2 | 0.25 |
| Program | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C 2 0C/min -> 12 0C/min -> 105 0C 6 0C/min -> 220 0C (20 min) | not specified | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) | 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C |
| I | 1022. | 1022. | 1023. | 1032. | 1026. |
| Reference | San-Juan, Petka, et al., 2010 | Prat, Trias, et al., 2009 | Risticevic, Carasek, et al., 2008 | Lermusieau, Bulens, et al., 2001 | Zehentbauer and Grosch, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | He | Hydrogen | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | |||
| Program | not specified | 35C => 40C/min => 50C(2min) => 4C/min => 240C | not specified |
| I | 1023. | 1021. | 993. |
| Reference | Schieberle, 1996 | Schieberle and Grosch, 1994 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A.,
Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [all data]
Prat, Trias, et al., 2009
Prat, C.; Trias, R.; Cullere, L.; Escudero, A.; Antico, E.; BAneras, L.,
Off-odor compounds produced in cork by isolated bacteria and fungi: a gas chromatography - mass spectrometry and gas chromatography - olfactometry study,
J. Agric. Food Chem., 2009, 57, 16, 7473-7479, https://doi.org/10.1021/jf900723s
. [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]
Lermusieau, Bulens, et al., 2001
Lermusieau, G.; Bulens, M.; Collin, S.,
Use of GC-olfactometry to identify the hop aromatic compounds in beer,
J. Agric. Food Chem., 2001, 49, 8, 3867-3874, https://doi.org/10.1021/jf0101509
. [all data]
Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184
. [all data]
Schieberle, 1996
Schieberle, P.,
Odour-active compounds in moderately roasted sesame,
Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X
. [all data]
Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177
. [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, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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