Indole, 3-methyl-
- Formula: C9H9N
- Molecular weight: 131.1745
- IUPAC Standard InChIKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
- CAS Registry Number: 83-34-1
- 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: Skatole; 1H-Indole, 3-methyl-; β-Methylindole; Scatole; Skatol; 3-Methylindole; 3-MI; 3-Methyl-1H-indole; NSC 122024; 3-Methylindole (skatol); 3-methylindole (skatole); Indole, 3-methyl- (skatole)
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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 | ZB-5 | DB-5 | HP-1 | HP-1 |
Column length (m) | 30. | 30. | 60. | 50. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.20 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.33 |
Tstart (C) | 50. | 40. | 60. | 60. | |
Tend (C) | 250. | 280. | 240. | 250. | 250. |
Heat rate (K/min) | 5. | 6. | 6. | 2. | 2. |
Initial hold (min) | 0.5 | 1. | |||
Final hold (min) | 0.5 | 9. | 5. | 20. | 20. |
I | 1382. | 1396. | 1399. | 1351. | 1354. |
Reference | Fanaro, Duarte, et al., 2012 | Harrison and Priest, 2009 | Mallia, Escher, et al., 2009 | Breme, Langle, et al., 2008 | Breme, Langle, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-5MS | AT-1 | DB-5 MS |
Column length (m) | 60. | 30. | 30. | 60. | |
Carrier gas | Helium | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.32 | |
Phase thickness (μm) | 1.0 | 0.25 | 1.5 | 0.25 | |
Tstart (C) | 30. | 40. | 40. | 50. | 40. |
Tend (C) | 230. | 230. | 225. | 300. | 200. |
Heat rate (K/min) | 3. | 6. | 6. | 10. | 3. |
Initial hold (min) | 2. | 5. | 2. | 5. | |
Final hold (min) | 5. | 30. | 30. | ||
I | 1408. | 1410. | 1427. | 1374. | 1401. |
Reference | Sebastian, Viallon-Fernandez, et al., 2003 | Sanz, Czerny, et al., 2002 | Cadwallader and Heo, 2001 | Kelling, 2001 | Suriyaphan, Drake, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | HP-1 | DB-5 | Ultra-1 |
Column length (m) | 30. | 30. | 25. |
Carrier gas | He | H2 | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.1 | 1. | 0.25 |
Tstart (C) | 50. | 40. | 80. |
Tend (C) | 300. | 220. | 260. |
Heat rate (K/min) | 5. | 3. | 3. |
Initial hold (min) | 2. | ||
Final hold (min) | 3. | ||
I | 1362. | 1388. | 1339. |
Reference | Boatright and Crum, 1997 | Moio, Dekimpe, et al., 1993 | Okumura, 1991 |
Comment | MSDC-RI | MSDC-RI | 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.
Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H.,
Evaluation of γ-radiation on oolong tea odor volatiles,
Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061
. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Mallia, Escher, et al., 2009
Mallia, S.; Escher, F.; Dubois, S.; Schieberle, P.; Schlichtherle-Cerny, H.,
Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation,
J. Agric. Food Chem., 2009, 57, 16, 7464-7472, https://doi.org/10.1021/jf9002158
. [all data]
Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D.,
Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis,
Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [all data]
Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J.,
Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis,
Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]
Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]
Suriyaphan, Drake, et al., 1999
Suriyaphan, O.; Drake, M.A.; Cadwallader, K.R.,
Identification of volatile off-flavors in reduced-fat cheddar cheeses containing lecitin,
Lebensm.-Wiss. u. Technol., 1999, 32, 5, 250-254, https://doi.org/10.1006/fstl.1999.0543
. [all data]
Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D.,
Nonpolar-volatile lipids from soy protein isolates and hexane-defatted flakes,
J. Amer. Oil Chem. Soc., 1997, 74, 4, 461-467, https://doi.org/10.1007/s11746-997-0107-z
. [all data]
Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F.,
Neutral volatile compounds in the raw milks from different species,
J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [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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