Benzyl alcohol, rutinoside, TFA
- Formula: C31H22F18O16
- Molecular weight: 992.4680
- IUPAC Standard InChI: InChI=1S/C31H22F18O16/c1-9-12(60-20(50)26(32,33)34)14(62-22(52)28(38,39)40)16(64-24(54)30(44,45)46)18(58-9)57-8-11-13(61-21(51)27(35,36)37)15(63-23(53)29(41,42)43)17(65-25(55)31(47,48)49)19(59-11)56-7-10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m1/s1
- IUPAC Standard InChIKey: ZFZXGBPUOBMIRI-FARGQAFFSA-N
- 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: Benzenemethanol, Rut, TFA; benzyl 6- O-(α-L-rhamonopyranosyl)-β-D-glucopyranoside, TFA
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- Other data available:
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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-5 | DB-5 | DB-5MS | DB-5MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | He | H2 |
| 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 | |
| Program | 125C => 3C/min => 220C => 2C/min => 280C | 125C => 3C/min => 220C => 2C/min => 280C | 125C => 3C/min => 220C => 2C/min => 280C | 125C => 3C/min => 220C => 2C/min => 280C | not specified |
| I | 2112. | 2118. | 2112. | 2118. | 2118. |
| Reference | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Chassagne, Crouzet, et al., 1998 | Chassagne, Crouzet, et al., 1998 | Sakho, Chassagne, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Chassagne, Crouzet, et al., 1998
Chassagne, D.; Crouzet, J.; Bayonove, C.L.; Baumes, R.L.,
Identification of passion fruit glycosides by gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1998, 46, 10, 4352-4357, https://doi.org/10.1021/jf980416k
. [all data]
Sakho, Chassagne, et al., 1997
Sakho, M.; Chassagne, D.; Crouzet, J.,
African mango glycosidically bound volatile compounds,
J. Agric. Food Chem., 1997, 45, 3, 883-888, https://doi.org/10.1021/jf960277b
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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