Berteroin
- Formula: C7H13NS2
- Molecular weight: 175.315
- IUPAC Standard InChI: InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
- IUPAC Standard InChIKey: HBVIMVJTUQNSEP-UHFFFAOYSA-N
- CAS Registry Number: 4430-42-6
- 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: Pentane, 1-isothiocyanato-5-(methylthio)-; (5-Isothiocyanatopentyl)(methyl)sulfane; Isothiocyanic acid, 5-(methylthio)pentyl ester; 5-(Methylthio)pentyl isothiocyanate; 5-(Methylthio)pentyl isothiocyante
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- Other data available:
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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 |
|---|---|---|---|
| Active phase | HP-1 | DB-5 | RSL-200 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | He | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. |
| Tend (C) | 250. | 240. | 280. |
| Heat rate (K/min) | 2. | 3. | 6. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 40. | 10. | |
| I | 1503. | 1535. | 1524. |
| Reference | Valette, Fernandez, et al., 2006 | Miyazawa, Nishiguchi, et al., 2005 | Jirovetz, Smith, et al., 2002 |
| 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.
Valette, Fernandez, et al., 2006
Valette, L.; Fernandez, X.; Poulain, S.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Chemical composition of the volatile extracts from Brassica oleracea L. var. botrytis 'Romanesco' cauliflower seeds,
Flavour Fragr. J., 2006, 21, 1, 107-110, https://doi.org/10.1002/ffj.1530
. [all data]
Miyazawa, Nishiguchi, et al., 2005
Miyazawa, M.; Nishiguchi, T.; Yamafuji, C.,
Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey,
Flavour Fragr. J., 2005, 20, 2, 158-160, https://doi.org/10.1002/ffj.1335
. [all data]
Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n
. [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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