Pentanoic acid, 5-hydroxy-2-propyl, bis-TMS
- Formula: C14H32O3Si2
- Molecular weight: 304.5731
- IUPAC Standard InChI: InChI=1S/C14H32O3Si2/c1-8-10-13(14(15)17-19(5,6)7)11-9-12-16-18(2,3)4/h13H,8-12H2,1-7H3
- IUPAC Standard InChIKey: WMRIPYKNUFEUSW-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Propyl-5-hydroxypentanoic acid, diTMS; 5-Hydroxy-2-propylpentanoic acid, di-TMS
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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 | DB-5 | 1484. | Kimura, Yamamoto, et al., 1999 | 30. m/0.25 mm/1. μm, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min |
| Packed | OV-1 | 1484. | 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 |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1462. | Rettenmeier, Howald, et al., 1989 | 60. m/0.32 mm/0.25 μm, He; Program: 40 0C "rapidly" -> 80 0C 2 0C/min -> 120 0C 4 0C/min -> 180 0C "rapidly" -> 250 0C |
| Packed | OV-101 | 1484. | Tanaka and Hine, 1982 | Program: not specified |
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.
Kimura, Yamamoto, et al., 1999
Kimura, M.; Yamamoto, T.; Yamaguchi, S.,
Automated metabolic profiling and interpretation of GC/MS data for organic acidemia screening: a personal computer-based system,
Tohoku J. Exp. Med., 1999, 188, 4, 317-334, https://doi.org/10.1620/tjem.188.317
. [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]
Rettenmeier, Howald, et al., 1989
Rettenmeier, A.W.; Howald, W.N.; Levy, R.H.; Witek, D.J.; Gordon, W.P.; Porubek, D.J.; Baillie, T.A.,
Quantitative metabolic profiling of valproic acid in humans using automated gas chromatographic/mass spectrometric techniques,
Biomed. Environ. Mass Spectrom., 1989, 18, 3, 192-199, https://doi.org/10.1002/bms.1200180308
. [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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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