1H-Pyrrole-2-carboxaldehyde, 1-methyl-
- Formula: C6H7NO
- Molecular weight: 109.1259
- IUPAC Standard InChI: InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
- IUPAC Standard InChIKey: OUKQTRFCDKSEPL-UHFFFAOYSA-N
- CAS Registry Number: 1192-58-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Formyl-1-methylpyrrole; N-Methyl-2-formylpyrrole; 1-Methyl-2-formylpyrrole; N-Methylpyrrole-2-carboxaldehyde; 1-Methyl-1H-pyrrole-2-carboxaldehyde; 1-Methylpyrrole-2-carboxaldehyde; Pyrrole-2-carboxaldehyde, 1-methyl-; N-Methylpyrrole-2-carbaldehyde; 1-Methyl-1H-pyrrole-2-carbaldehyde; 1-Methyl-2-pyrrolaldehyde; 1-Methyl-2-pyrrolecarboxaldehyde; 1-Methylpyrrole-2-carbaldehyde; 1-Methylpyrrole-2-carboxyaldehyde; N-Methylpyrrole-2-carboxy aldehyde; NSC 72386; 1-methylformylpyrrole
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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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 MS | SE-30 | RSL-150 |
| Column length (m) | 30. | 60. | |||
| Carrier gas | Helium | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | not specified | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) |
| I | 1010. | 1015. | 1016. | 986. | 975. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Cajka, Hajslova, et al., 2007 | Vinogradov, 2004 | Buchbauer, Nikiforov, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | 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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B.,
Headspace constituents of opium,
Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447
. [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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