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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Normal alkane RI, non-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-5 MS | HP-5 MS | Ultra-1 | HP-5 | RTX-5 |
| Column length (m) | 30. | 30. | 50. | 50. | 10. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.20 | 0.18 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.33 | 0.2 |
| Tstart (C) | 70. | 35. | 50. | 50. | 40. |
| Tend (C) | 200. | 195. | 280. | 280. | 275. |
| Heat rate (K/min) | 3. | 2. | 2. | 10. | 50. |
| Initial hold (min) | 2. | 5. | 0.5 | ||
| Final hold (min) | 18. | 30. | 20. | 8.5 | 0.5 |
| I | 1018. | 1008. | 971. | 1008. | 1047. |
| Reference | Jerkovic and Marijanovic, 2010 | Kim and Chung, 2009 | Du, Clery, et al., 2008 | Du, Clery, et al., 2008 | Setkova, Risticevic, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-1 | HP-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 50. | 60. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 0.52 | 1.0 | |
| Tstart (C) | 50. | 40. | 35. | 40. | 30. |
| Tend (C) | 280. | 260. | 250. | 260. | 200. |
| Heat rate (K/min) | 5. | 2. | 2. | 2. | 4. |
| Initial hold (min) | 4. | 15. | 25. | ||
| Final hold (min) | 10. | 45. | 20. | ||
| I | 1013. | 983. | 1013. | 989. | 997. |
| Reference | Kim, Abd El-Aty, et al., 2006 | Chen and Ho, 1999 | Boylston and Viniyard, 1998 | Chen and Ho, 1998 | Buttery, Ling, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | Hydrogen |
| Substrate | |
| Column diameter (mm) | 0.35 |
| Phase thickness (μm) | 1.0 |
| Tstart (C) | 45. |
| Tend (C) | 220. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1031. |
| Reference | Georgilopoulos and Gallois, 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744
. [all data]
Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088
. [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]
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
. [all data]
Chen and Ho, 1999
Chen, J.; Ho, C.-T.,
Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems,
J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a
. [all data]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Chen and Ho, 1998
Chen, J.; Ho, C.-T.,
Volatile compounds generated in serine-monosaccharide model systems,
J. Agric. Food Chem., 1998, 46, 4, 1518-1522, https://doi.org/10.1021/jf970934f
. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N.,
Flavour compounds of a commercial concentrated blackberry juice,
Food Chem., 1988, 28, 2, 141-148, https://doi.org/10.1016/0308-8146(88)90143-4
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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