α-Hydroxyisobutyric acid, 2TMS derivative
- Formula: C10H24O3Si2
- Molecular weight: 248.4668
- IUPAC Standard InChI: InChI=1S/C10H24O3Si2/c1-10(2,13-15(6,7)8)9(11)12-14(3,4)5/h1-8H3
- IUPAC Standard InChIKey: VLIFWQNPLCEBJY-UHFFFAOYSA-N
- CAS Registry Number: 55133-92-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester; α-Hydroxyisobutyric acid (2TMS); α-Hydroxyisobutyric acid, trimethylsilyl ether, trimethylsilyl ester; 2-Hydroxyisobutyric acid diTMS; 2-Hydroxyisobutyric acid, bis-TMS; Isobutyric acid, 2-hydroxy, di-TMS; 2-Hydroxyisobutyric acid, 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 | CP Sil 5 CB | 1070. | Halket, Przyborowska, et al., 1999 | 25. m/0.15 mm/0.12 μm, 90. C @ 1. min, 10. K/min, 270. C @ 7. min |
| Capillary | DB-5 | 1069. | Kimura, Yamamoto, et al., 1999 | 30. m/0.25 mm/1. μm, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min |
| Capillary | DB-1 | 1073. | Hoffmann, Aramaki, et al., 1989 | 30. m/0.53 mm/1. μm, He, 4. K/min; Tstart: 70. C; Tend: 290. C |
| Capillary | OV-1 | 1071. | Lefevere, Verhaeghe, et al., 1989 | 10. m/0.22 mm/0.17 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Capillary | SE-52 | 1069. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Capillary | SE-52 | 1071. | Lefevere, Verhaeghe, et al., 1988 | 25. m/0.20 mm/0.40 μm, He, 5. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | Ultra-2 | 1071. | Tuchman, Bowers, et al., 1984 | 25. m/0.31 mm/0.52 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Packed | OV-1 | 1066. | 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 | Methyl Silicone | 1089. | Geissler, Kawana, et al., 2007 | Program: not specified |
| Capillary | VF-5MS | 1054.3 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Packed | OV-101 | 1066. | Tanaka and Hine, 1982 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1071. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5MS | 1099. | Lee, Yanamandra, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. 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.
Halket, Przyborowska, et al., 1999
Halket, J.N.; Przyborowska, A.; Stein, S.E.; Mallard, W.G.; Down, S.; Chalmers, R.,
Deconvolution gas chromatography / mass spectrometry of urinary organic acids - potential for pattern recognition and automated identification of metabolic disorders,
Rapid Commun. Mass spectrom., 1999, 13, 4, 279-284, https://doi.org/10.1002/(SICI)1097-0231(19990228)13:4<279::AID-RCM478>3.0.CO;2-I
. [all data]
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]
Hoffmann, Aramaki, et al., 1989
Hoffmann, G.; Aramaki, S.; Blum-Hoffmann, E.; Nyhan, W.L.; Sweetman, L.,
Quantitative analysis for organic acids in biological samples: batch isolation followed by gas chromatographic-mass spectrometric analysis,
Clin. Chem., 1989, 35, 4, 587-595. [all data]
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]
Lefevere, Verhaeghe, et al., 1988
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.M.; de Leenheer, A.P.,
Automated profiling of urinary organic acids by dual-column gas chromatography and gas chromatography/mass spectrometry,
Biomed. Environ. Mass Spectrom., 1988, 15, 6, 311-322, https://doi.org/10.1002/bms.1200150603
. [all data]
Tuchman, Bowers, et al., 1984
Tuchman, M.; Bowers, L.D.; Fregien, K.D.; Crippin, P.J.; Krivit, W.,
Capillary Gas Chromatographic Separation of Urinary Organic Acids. Retention Indices of 101 Urinary Acids on a 5% Phenylmethyl Silicone Capillary Column,
J. Chromatogr. Sci., 1984, 22, 5, 198-202, https://doi.org/10.1093/chromsci/22.5.198
. [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]
Geissler, Kawana, et al., 2007
Geissler, M.; Kawana, S.; Nakagawa, K.,
Analysis of urine organic acids using linear retention indices for the determination of metabolic disorders,
LC-GC Europe, 2007, 26-27, retrieved from http://licance.icopyright.net/user/viewFreeUse.act?fuid=NjA1MTI0NQ%3D%3D. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [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]
Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T.,
GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices,
Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483
. [all data]
Lee, Yanamandra, et al., 2002
Lee, B.Y.; Yanamandra, K.; Thurmon, T.F.,
Quantitative estimation of organic analytes with a capillary column,
Am. Clin. Lab., 2002, May, 30-34. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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