3-Methylglutaric acid, 2TMS derivative
- Formula: C12H26O4Si2
- Molecular weight: 290.5034
- IUPAC Standard InChI: InChI=1S/C12H26O4Si2/c1-10(8-11(13)15-17(2,3)4)9-12(14)16-18(5,6)7/h10H,8-9H2,1-7H3
- IUPAC Standard InChIKey: JOPZTTHKNFWHFT-UHFFFAOYSA-N
- CAS Registry Number: 55517-41-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester; 3-Methylglutaric acid, bis(trimethylsilyl)-, ester; 3-Methylglutaric acid, di(trimethylsilyl) ester; 3-Methylglutaric acid, bis(trimethylsilyl ester)I; 3-Methylglutaric acid, diTMS; 3-Methylglutaric acid, bis-TMS ester; Glutaric acid, 3-methyl, bis-TMS; 3-Methylglutaric 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 160. | 1413. | Petersson, 1977 | N2, Chromosorb G (100-120 mesh); Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1450. | 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 | 1426. | 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 | 1417. | 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 | 1424. | 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 | 1431. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Capillary | CP Sil 5 CB | 1418. | Wurth, Kumps, et al., 1989 | N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min |
| Packed | OV-1 | 1419. | 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 | 1416. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
| Packed | OV-101 | 1419. | 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 | 1431. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5MS | 1431. | 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.
Petersson, 1977
Petersson, G.,
Retention Data in GLC Analysis; Carbohydrate-Related Hydroxy Carboxylic and Dicarboxylic Acids as Trimethylsilyl Derivatives,
J. Chromatogr. Sci., 1977, 15, 7, 245-255, https://doi.org/10.1093/chromsci/15.7.245
. [all data]
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]
Wurth, Kumps, et al., 1989
Wurth, C.; Kumps, A.; Mardens, Y.,
Urinary organic acids: Retention indices on two capillary gas chromatography columns,
J. Chromatogr., 1989, 491, 186-192, https://doi.org/10.1016/S0378-4347(00)82831-5
. [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]
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]
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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