1H-Pyrrole-2-carboxaldehyde
- Formula: C5H5NO
- Molecular weight: 95.0993
- 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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Normal alkane 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 | HP-FFAP | DB-Wax | HP-Innowax | HP-Innowax | RTX-Wax |
Column length (m) | 25. | 60. | 50. | 50. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.20 | 0.20 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 0.33 | 0.20 | 0.5 |
Tstart (C) | 45. | 40. | 50. | 45. | 40. |
Tend (C) | 220. | 210. | 250. | 190. | 220. |
Heat rate (K/min) | 15. | 2. | 10. | 4. | 10. |
Initial hold (min) | 5. | 2. | 5. | ||
Final hold (min) | 70. | 6. | 50. | 10. | |
I | 2067. | 2059. | 2010. | 2035. | 2023. |
Reference | Wanakhachornkrai and Lertsiri, 9999 | Moon and Shibamoto, 2009 | Du, Clery, et al., 2008 | Soria, Sanz, et al., 2008 | Prososki, Etzel, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TC-Wax | DB-Wax | HP-FFAP | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 25. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.25 | |
Tstart (C) | 40. | 50. | 45. | 40. | 30. |
Tend (C) | 230. | 180. | 220. | 200. | 170. |
Heat rate (K/min) | 3. | 3. | 15. | 2. | 2. |
Initial hold (min) | 8. | 4. | |||
Final hold (min) | 40. | 60. | |||
I | 2044. | 2036. | 2067. | 2009. | 2006. |
Reference | Ishikawa, Ito, et al., 2004 | Yanagimoto, Ochi, et al., 2004 | Wanakhachornkrai and Lertsiri, 2003 | Wei, Mura, et al., 2001 | Buttery, Orts, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | |
Tstart (C) | 60. |
Tend (C) | 180. |
Heat rate (K/min) | 2. |
Initial hold (min) | 4. |
Final hold (min) | |
I | 1978. |
Reference | Kawakami and Kobayashi, 1991 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Moon and Shibamoto, 2009
Moon, J.-K.; Shibamoto, T.,
Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans,
J. Agric. Food Chem., 2009, 57, 13, 5823-5831, https://doi.org/10.1021/jf901136e
. [all data]
Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J.,
Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae),
J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d
. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A.,
Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Yanagimoto, Ochi, et al., 2004
Yanagimoto, K.; Ochi, H.; Lee, K.-G.; Shibamoto, T.,
Antioxidative activities of fractions obtained from brewed coffee,
J. Agric. Food Chem., 2004, 52, 3, 592-596, https://doi.org/10.1021/jf030317t
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T.,
Antioxidative activity of volatile chemicals extracted from beer,
J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e
. [all data]
Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y.,
Volatile flavor components of rice cakes,
J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Notes
Go To: Top, Normal alkane 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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