2-(2-Methylpropyl)-3,5,6-trimethylpyrazine
- Formula: C11H18N2
- Molecular weight: 178.2740
- IUPAC Standard InChI: InChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
- IUPAC Standard InChIKey: CMCOFWHSAGPVSF-UHFFFAOYSA-N
- CAS Registry Number: 46187-37-5
- 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: Pyrazine, 3,5,6-trimethyl-2-isobutyl; trimethylisobutylpyrazine; 2-Isobutyl-3,5,6-trimethylpyrazine
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Mass spectrum (electron ionization)
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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 | Philip Morris R&D |
| NIST MS number | 109523 |
Gas Chromatography
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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 | OV-101 | 1263. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1580. | Vernin, Metzger, et al., 1988 | He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1556. | Mihara and Masuda, 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.
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]
Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D.,
GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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