2,4-Dihydroxybenzoic acid, 3TMS derivative
- Formula: C16H30O4Si3
- Molecular weight: 370.6635
- IUPAC Standard InChI: InChI=1S/C16H30O4Si3/c1-21(2,3)18-13-10-11-14(16(17)20-23(7,8)9)15(12-13)19-22(4,5)6/h10-12H,1-9H3
- IUPAC Standard InChIKey: VOVIHULKTZBZND-UHFFFAOYSA-N
- CAS Registry Number: 10586-16-0
- 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: Benzoic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester; β-Resorcylic acid (TMS); 2,4-Bis(trimethylsiloxy)trimethylsilylbenzoate; 2,4-Dihydroxybenzoic acid, bis(trimethylsilyl) ether, trimethylsilyl ester; 2-Resorcylic acid, tri-TMS; Benzoic acid, 2,4-dihydroxy, TMS; Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]benzoate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1832. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Packed | OV-1 | 1822. | Tanaka, Hine, et al., 1980 | N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; Tend: 290. C |
| Packed | OV-1 | 1825. | Butts, 1972 | He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1800.3 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | DB-1 | 1818. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
| Packed | OV-101 | 1822. | Tanaka and Hine, 1982 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-20M Innowax | 1637. | Wang, Tian, et al., 2013 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lefevere, Verhaeghe, et al., 1989
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.H.; Van Bocxlaer, J.F.; De Leenheer, A.P.; De Sagher, R.M.,
Metabolic Profiling of Urinary Organic Acids by Single and Multicolumn Capillary Gas Chromatography,
J. Chromatogr. Sci., 1989, 27, 1, 23-29, https://doi.org/10.1093/chromsci/27.1.23
. [all data]
Tanaka, Hine, et al., 1980
Tanaka, K.; Hine, D.G.; West-Dull, A.; Lynn, T.B.,
Gas-chromatographic method of analysis for urinary organic acids. I. Retention indices of 155 metabolically important compounds,
Clin. Chem., 1980, 26, 13, 1839-1846. [all data]
Butts, 1972
Butts, W.C.,
Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds,
Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Tsai, Oliphant, et al., 1985
Tsai, M.Y.; Oliphant, C.; Josephson, M.W.,
Identification of Metabolites Diagnostic for Organic Acidurias by Simultaneous Dual-Column Capillary Gas Chromatography,
J. Chromatogr., 1985, 341, 1-10, https://doi.org/10.1016/S0378-4347(00)84004-9
. [all data]
Tanaka and Hine, 1982
Tanaka, K.; Hine, D.G.,
Compilation of Gas Chromatographic Retention Indices of 163 Metabolically Important Organic Acids, and Their Use in Detection of Patients with Organic Acidurias,
J. Chromatogr., 1982, 239, 301-322, https://doi.org/10.1016/S0021-9673(00)81990-1
. [all data]
Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
J. Anal. Methods in Chemistry, 2013, 1-6. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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