Ethanone, 1-(1H-pyrrol-2-yl)-
- Formula: C6H7NO
- Molecular weight: 109.1259
- IUPAC Standard InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
- CAS Registry Number: 1072-83-9
- 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: Ketone, methyl pyrrol-2-yl; Methyl pyrrol-2-yl ketone; 2-Acetylpyrrole; Pyrrole-α-methyl ketone; 1-(1H-pyrrol-2-yl)1-ethanone; 1-(1H-pyrrole-2-yl)-ethanone; 1H-Pyrrole, 2-acetyl; 2-Acetyl-1H-pyrrole; Ethanone, 1-(1H-pyrrole-2-yl)-; Pyrrole, 2-acetyl; 1-(1H-Pyrrol-2-yl)ethanone; 2-Pyrrolyl methyl ketone; 1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole); 2-Acetylpyrrol; 1-(1H-pyrrol-2-yl)ethan-1-one
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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 | HP-FFAP | HP-FFAP | HP-Innowax | DB-Wax |
Column length (m) | 25. | 25. | 25. | 15. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 0.50 | 0.50 | 0.50 |
Tstart (C) | 45. | 45. | 45. | 40. | 40. |
Tend (C) | 220. | 220. | 220. | 250. | 210. |
Heat rate (K/min) | 15. | 15. | 15. | 3. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 70. | ||||
I | 2006. | 2003. | 2008. | 1967. | 2006. |
Reference | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Puvipirom and Chaisei, 2012 | Moon and Shibamoto, 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | DB-Wax | CP-Wax | DB-Wax | TC-Wax |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | Helium | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 50. | 40. | 40. | 70. | 40. |
Tend (C) | 250. | 230. | 180. | 230. | 230. |
Heat rate (K/min) | 10. | 4. | 5. | 2. | 3. |
Initial hold (min) | 2. | 2. | 2. | 8. | |
Final hold (min) | 6. | 15. | 20. | ||
I | 1960. | 1972. | 1943. | 1974. | 1984. |
Reference | Du, Clery, et al., 2008 | Fan and Qian, 2006 | Ka, Choi, et al., 2005 | Choi, 2004 | Ishikawa, Ito, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | TC-Wax | HP-FFAP | HP-FFAP |
Column length (m) | 30. | 30. | 60. | 25. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | |
Tstart (C) | 50. | 50. | 80. | 45. | 45. |
Tend (C) | 180. | 230. | 250. | 220. | 220. |
Heat rate (K/min) | 3. | 3. | 4. | 15. | 15. |
Initial hold (min) | 2. | ||||
Final hold (min) | 40. | 20. | 30. | ||
I | 1983. | 1966. | 1983. | 2006. | 2008. |
Reference | Yanagimoto, Ochi, et al., 2004 | Lin, Cai, et al., 2003 | Miyazawa and Okuno, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 25. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | ||||
Tstart (C) | 45. | 30. | 30. | 60. | 60. |
Tend (C) | 220. | 170. | 170. | 180. | 180. |
Heat rate (K/min) | 15. | 2. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | 4. | ||
Final hold (min) | 60. | 30. | |||
I | 2003. | 1970. | 1970. | 1973. | 1925. |
Reference | Wanakhachornkrai and Lertsiri, 2003 | Buttery, Orts, et al., 1999 | Buttery and Ling, 1998 | Sekiwa, Kubota, et al., 1997 | Kawakami, Ganguly, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | FFAP |
Column length (m) | 60. | 60. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.28 |
Phase thickness (μm) | |||||
Tstart (C) | 40. | 60. | 60. | 60. | 60. |
Tend (C) | 200. | 180. | 240. | 200. | 240. |
Heat rate (K/min) | 2. | 4. | 3. | 3. | 2. |
Initial hold (min) | 2. | 4. | 10. | 5. | |
Final hold (min) | 30. | ||||
I | 1967. | 1957. | 1970. | 2020. | 1927. |
Reference | Umano, Hagi, et al., 1995 | Eiserich, Macku, et al., 1992 | Hatsuko, Kazuko, et al., 1992 | Vernin, Metzger, et al., 1992 | Vernin, Metzger, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 150. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.25 | 0.64 |
Phase thickness (μm) | ||
Tstart (C) | 70. | 50. |
Tend (C) | 160. | 170. |
Heat rate (K/min) | 2. | 1. |
Initial hold (min) | 8. | 30. |
Final hold (min) | 60. | |
I | 1959. | 1950. |
Reference | Wong and Bernhard, 1988 | Buttery, Ling, et al., 1983 |
Comment | MSDC-RI | 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]
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T.,
Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid,
J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148
. [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]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G.,
Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves,
J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x
. [all data]
Choi, 2004
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [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]
Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q.,
Constituents of the essential oil of Hemerocallis flava day lily,
Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [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]
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]
Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
. [all data]
Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Eiserich, Macku, et al., 1992
Eiserich, J.P.; Macku, C.; Shibamoto, T.,
Volatile antioxidants formed from an L-cysteine/D-glucose Maillard model system,
J. Agric. Food Chem., 1992, 40, 10, 1982-1988, https://doi.org/10.1021/jf00022a050
. [all data]
Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I.,
Improvement of quality of likorine extract by heat treatment,
J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976
. [all data]
Vernin, Metzger, et al., 1992
Vernin, G.; Metzger, J.; Boniface, C.; Murello, M.-H.; Siouffi, A.; Larice, J.-L.; Parkanyi, C.,
Kinetics and thermal degradation of the fructose-methionine Amadori intermediates. GC-MS/SPECMA data bank identification of volatile aroma compounds,
Carbohyd. Res., 1992, 230, 1, 15-29, https://doi.org/10.1016/S0008-6215(00)90510-X
. [all data]
Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D.,
GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [all data]
Wong and Bernhard, 1988
Wong, J.M.; Bernhard, R.A.,
Effect of nitrogen source on pyrazine formation,
J. Agric. Food Chem., 1988, 36, 1, 123-129, https://doi.org/10.1021/jf00079a032
. [all data]
Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R.,
Insect attractants: volatiles of hydrolizyed protein insect baits,
J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003
. [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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