1H-Pyrrole-2-carboxaldehyde
- Formula: C5H5NO
- Molecular weight: 95.0993
- IUPAC Standard InChI: InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
- IUPAC Standard InChIKey: ZSKGQVFRTSEPJT-UHFFFAOYSA-N
- CAS Registry Number: 1003-29-8
- 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: Pyrrole-2-carboxaldehyde; Pyrrole-2-aldehyde; 2-Formylpyrrole; 2-Pyrrolylcarboxaldehyde; α-Pyrrolaldehyde; 2-Pyrrolecarbaldehyde; 2-Pyrrolecarboxaldehyde; 1H-Pyrrole-2-carboxyaldehyde; 2-Carboxaldehyde-1H-pyrrole; 2-Pyrrolaldehyde; 2-Pyrrolcarbaldehyde; NSC 112885; NSC 66394; 1H-Pyrrole-2-carbaldehyde; 129006-63-9; 1-Pyrrole-2-carboxaldehyde; 1( H)-pyrrole carboxaldehyde; Pyrrol-2-carboxaldehyde; pyrrole-2-carbaldehyde
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Van Den Dool and Kratz RI, polar column, temperature ramp
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-Wax | HP-Innowax | Supelcowax-10 | Supelcowax-10 | PEG-20M |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 35. | 35. | 50. |
| Tend (C) | 240. | 220. | 195. | 195. | 230. |
| Heat rate (K/min) | 5. | 5. | 2. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 10. | 90. | 90. | 60. | |
| I | 2028. | 2048. | 2032. | 2032. | 2030. |
| Reference | Lopez-Galilea I., Fournier N., et al., 2006 | Adamiec, Rossner, et al., 2001 | Chung, 2000 | Chung, 1999 | Shimoda, Nakada, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 230. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | 60. |
| I | 2030. |
| Reference | Shimoda, Shiratsuchi, et al., 1996 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E.,
Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure,
J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t
. [all data]
Adamiec, Rossner, et al., 2001
Adamiec, J.; Rossner, J.; Velisek, J.; Cejpek, K.; Savel, J.,
Minor Strecker degradation products of phenylalanine and phenylglycine,
Eur. Food Res. Technol., 2001, 212, 2, 135-140, https://doi.org/10.1007/s002170000234
. [all data]
Chung, 2000
Chung, H.Y.,
Volatile flavor components in red fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
. [all data]
Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y.,
Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil,
J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o
. [all data]
Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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