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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Van Den Dool and Kratz RI, non-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 | DB-5MS | DB-5 | DB-5 | SE-54 | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Program | 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min) | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C | 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C | 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) | 40C(2min) => 6C/min => 180C => 10C/min => 250C |
| I | 1388. | 1394. | 1398. | 1396. | 1400. |
| Reference | Kim, Lee, et al., 2003 | Jezussek, Juliano, et al., 2002 | Zehentbauer and Reineccius, 2002 | Zimmermann and Schieberle, 2000 | Milo and Reineccius, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | 5 % Phenyl methyl siloxane |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.31 |
| Phase thickness (μm) | 0.52 |
| Program | 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
| I | 1381. |
| Reference | Yasuhara, Shiraishi, et al., 1997 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J.,
Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction,
Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8
. [all data]
Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P.,
Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis,
J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720
. [all data]
Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A.,
Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay,
Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102
. [all data]
Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P.,
Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin,
Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019
. [all data]
Milo and Reineccius, 1997
Milo, C.; Reineccius, G.A.,
Identification and quantification of potent odorants in regular-fat and low-fat mild cheddar cheese,
J. Agric. Food Chem., 1997, 45, 9, 3590-3594, https://doi.org/10.1021/jf970152m
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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