Indole, 3-methyl-
- Formula: C9H9N
- Molecular weight: 131.1745
- IUPAC Standard InChI: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
- 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, polar column, custom temperature program
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 | EC-1000 | Polyethylene glycol (Free Fatty Acid Phase) | Polyethylene glycol (Free Fatty Acid Phase) | DB-FFAP | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | not specified | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C |
| I | 2530. | 2495. | 2510. | 2484. | 2495. |
| Reference | Delabre and Bendall, 9999 | Harraca, Syed, et al., 2009 | Harraca, Syed, et al., 2009 | Buettner, 2007 | Steinhaus and Schieberle, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-FFAP | DB-FFAP | DB-Wax | FFAP |
| Column length (m) | 30. | 30. | 30. | |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Program | 40C (2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | not specified | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C |
| I | 2484. | 2484. | 2496. | 2494. |
| Reference | Buettner and Welle, 2004 | Buettner, 2004 | Peterson and Reineccius, 2003 | Schermann and Schieberle, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Harraca, Syed, et al., 2009
Harraca, V.; Syed, Z.; Guerin, P.M.,
Olfactory and behavioural responces of tsetse flies, Glossina spp., to rumen metabolites,
J. Comp. Physiol. A, 2009, 195, 9, 815-824, https://doi.org/10.1007/s00359-009-0459-y
. [all data]
Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822
. [all data]
Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P.,
Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds,
J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030
. [all data]
Buettner and Welle, 2004
Buettner, A.; Welle, F.,
Intra-oral detection of potent odorants using a modified stir-bar sorptive extraction system in combination with HRGC-O, known as the buccal odour screening system (BOSS),
Flavour Fragr. J., 2004, 19, 6, 505-514, https://doi.org/10.1002/ffj.1473
. [all data]
Buettner, 2004
Buettner, A.,
Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b
. [all data]
Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A.,
Determination of the aroma impact compounds in heated sweet cream butter,
Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228
. [all data]
Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P.,
Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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