Pyrazine, methoxy-

Formula: C₅H₆N₂O
Molecular weight: 110.1139
IUPAC Standard InChI: InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
IUPAC Standard InChIKey: WKSXRWSOSLGSTN-UHFFFAOYSA-N
CAS Registry Number: 3149-28-8
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: Methoxypyrazine; 2-Methoxypyrazine
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Gas Chromatography

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	877.	Mihara and Masuda, 1987	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	877.	Masuda and Mihara, 1986	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	877.	Mihara and Enomoto, 1985	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	904.	Hartmann, 2003	30. m/0.25 mm/0.25 μm, He; Program: 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min)
Capillary	CP-Sil 5 CB	896.	Gijs, Chevanese, et al., 2002	50. m/0.32 mm/1.20 μm, Helium; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1306.	Mihara and Enomoto, 1985	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1306.	Mihara and Masuda, 1987	Program: not specified

References

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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]

Masuda and Mihara, 1986
Masuda, H.; Mihara, S., Use of modified molecular connectivity indices to predict retention indices of monosubstituted alkyl, alkoxy, alkylthio, phenoxy and (phenylthio)pyrazines, J. Chromatogr., 1986, 366, 373-377, https://doi.org/10.1016/S0021-9673(01)93485-5 . [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]

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]

Gijs, Chevanese, et al., 2002
Gijs, L.; Chevanese, F.; Jerkovic, V.; Collin, S., How low pH can intensify beta-damascenone and dimethyl trisulfide production through beer aging, J. Agric. Food Chem., 2002, 50, 20, 5612-5616, https://doi.org/10.1021/jf020563p . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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