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
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Other names: Benzenemethanol, Rut, TFA; benzyl 6- O-(α-L-rhamonopyranosyl)-β-D-glucopyranoside, TFA
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	2095.	Ugliano, Bartowsky, et al., 2006	30. m/0.25 mm/0.25 μm, He, 125. C @ 2. min, 3. K/min, 290. C @ 30. min
Capillary	DB-5	2118.	Sakho, Chassagne, et al., 1997	H2, 60. C @ 3. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 220. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2112.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 125C => 3C/min => 220C => 2C/min => 280C
Capillary	DB-5	2118.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 125C => 3C/min => 220C => 2C/min => 280C
Capillary	DB-5MS	2112.	Chassagne, Crouzet, et al., 1998	30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C
Capillary	DB-5MS	2118.	Chassagne, Crouzet, et al., 1998	30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C
Capillary	DB-5	2118.	Sakho, Chassagne, et al., 1997	H2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

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Ugliano, Bartowsky, et al., 2006
Ugliano, M.; Bartowsky, E.J.; McCarthy, J.; Moio, L.; Henschke, P.A., Hydrolysis and Transformation of Grape Glycosidically Bound Volatile Compounds during Fermentation with Three Saccharomyces Yeast Strains, J. Agric. Food Chem., 2006, 54, 17, 6322-6331, https://doi.org/10.1021/jf0607718 . [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]

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]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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