Indole
- Formula: C8H7N
- Molecular weight: 117.1479
- IUPAC Standard InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
- CAS Registry Number: 120-72-9
- 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: 1H-Indole; Ketole; 1-Azaindene; 1-Benzazole; 2,3-Benzopyrrole; Benzopyrrole; Indol; 1-H-indol
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Van Den Dool and Kratz 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 | CP-Sil PONA GB | HP-5 | DB-5 | CP Sil 8 CB | BPX-5 |
Column length (m) | 100. | 30. | 25. | 50. | 25. |
Carrier gas | He | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 140. | 50. | 60. | 60. | 50. |
Tend (C) | 230. | 220. | 200. | 220. | 300. |
Heat rate (K/min) | 5. | 5. | 2. | 4. | 5. |
Initial hold (min) | 10. | 10. | 5. | 5. | |
Final hold (min) | 25. | 60. | 30. | ||
I | 1265. | 1289. | 1320. | 1287. | 1319. |
Reference | Cunicao, Lopes, et al., 2007 | Flamini, Tebano, et al., 2007 | Rout, Rao, et al., 2007 | Mahadevan and Farmer, 2006 | Dickschat J.S., Wagner-Dobler I., et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | SPB-5 | SPB-5 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 250. | 250. | 250. | 290. | 220. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 5. |
Initial hold (min) | 2. | 2. | 2. | 10. | |
Final hold (min) | 20. | 20. | 20. | ||
I | 1288. | 1288. | 1288. | 1295. | 1295. |
Reference | Píno, Marbot, et al., 2004 | Pino, Marbot, et al., 2004 | Pino, Marbot, et al., 2004, 2 | Reis, Pansarim, et al., 2004 | Flamini, Luigi Cioni, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-1 | Mega 5MS | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.25 |
Tstart (C) | 35. | 40. | 40. | 40. | 60. |
Tend (C) | 200. | 325. | 240. | 220. | 240. |
Heat rate (K/min) | 10. | 3. | 3. | 2. | 3. |
Initial hold (min) | 5. | 2. | 5. | ||
Final hold (min) | 30. | ||||
I | 1290. | 1244.3 | 1290. | 1257. | 1288. |
Reference | Karagül-Yüceer, Vlahovich, et al., 2003 | Sun and Stremple, 2003 | Verzera, Trozzi, et al., 2003 | Kim, 2001 | Nogueira, Bittrich, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | DB-5 | DB-5 | DB-5 |
Column length (m) | 25. | 25. | 30. | 30. | 30. |
Carrier gas | H2 | H2 | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.31 | 0.31 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 1. | ||
Tstart (C) | 35. | 35. | 60. | 40. | 40. |
Tend (C) | 250. | 250. | 240. | 220. | 220. |
Heat rate (K/min) | 4. | 4. | 3. | 3. | 3. |
Initial hold (min) | 3. | 3. | |||
Final hold (min) | |||||
I | 1291. | 1294. | 1288. | 1328. | 1329. |
Reference | Li, Wang, et al., 1998 | Li, Wang, et al., 1998 | Nogueira, Marsaioli, et al., 1998 | Moio L., Rillo L., et al., 1996 | Moio L., Rillo L., et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | SE-30 | SE-30 | DB-5 |
Column length (m) | 30. | 60. | 22. | 3.05 | 30. |
Carrier gas | H2 | He | N2 | He | He |
Substrate | Supelcoport and Chromosorb | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.30 | 0.26 | |
Phase thickness (μm) | 1. | 0.25 | 1.0 | 0.25 | |
Tstart (C) | 40. | 50. | 60. | 40. | 50. |
Tend (C) | 220. | 250. | 250. | 250. | 300. |
Heat rate (K/min) | 3. | 3.5 | 2. | 10. | 6. |
Initial hold (min) | 5. | 4. | 4. | ||
Final hold (min) | 60. | 20. | |||
I | 1340. | 1305. | 1263. | 1273. | 1295. |
Reference | Moio L., Rillo L., et al., 1996 | Stashenko, Prada, et al., 1996 | de Frutos, Sanz, et al., 1991 | Peng, Ding, et al., 1988 | Rostad and Pereira, 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G.,
Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae),
J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021
. [all data]
Flamini, Tebano, et al., 2007
Flamini, G.; Tebano, M.; Cioni, P.L.,
Volatiles emission patterns of different plant organs and pollen of Citrus limon,
Anal. Chim. Acta., 2007, 589, 1, 120-124, https://doi.org/10.1016/j.aca.2007.02.053
. [all data]
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Dickschat J.S., Wagner-Dobler I., et al., 2005
Dickschat J.S.; Wagner-Dobler I.; Schulz S.,
The chafer pheromone buibuilactone and ant pyrazines are also produced by marine bacteria,
J. Chem. Ecol., 2005, 31, 4, 925-947, https://doi.org/10.1007/s10886-005-3553-9
. [all data]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
. [all data]
Pino, Marbot, et al., 2004, 2
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Reis, Pansarim, et al., 2004
Reis, M.G.; Pansarim, E.R.; da Silva, U.F.; Estanislau do Amaral, M.C.; Marsaioli, A.J.,
Pollinator attraction devices (floral fragrances) of some Brazilian orchids,
Arkivoc, 2004, 6, 89-97. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Short communication. Use of solid-phase micro-extraction as a sampling technique in the determination of volatiles emitted by flowers, isolated flower parts and pollen,
J. Chromatogr. A, 2003, 998, 1-2, 229-233, https://doi.org/10.1016/S0021-9673(03)00641-1
. [all data]
Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R.,
Characteristic aroma components of rennet casein,
J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806
. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y.,
Capillary gas chromatographic analysis of volatile components in goat feces,
Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]
Nogueira, Marsaioli, et al., 1998
Nogueira, P.C.L.; Marsaioli, A.J.; Amaral, M.C.E.; Bittrich, V.,
The fragrant floral oils of Tovomita species,
Phytochemistry, 1998, 49, 4, 1009-1012, https://doi.org/10.1016/S0031-9422(97)01046-7
. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I.,
Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction,
J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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