3-Hydroxydodecanedioic acid, tris(O-trimethylsilyl)
- Formula: C21H46O5Si3
- Molecular weight: 462.8434
- IUPAC Standard InChI: InChI=1S/C21H46O5Si3/c1-27(2,3)24-19(18-21(23)26-29(7,8)9)16-14-12-10-11-13-15-17-20(22)25-28(4,5)6/h19H,10-18H2,1-9H3
- IUPAC Standard InChIKey: CEEATCPCGFSGDV-UHFFFAOYSA-N
- CAS Registry Number: 81089-39-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3-Hydroxydodecadienoic acid, tri-TMS; 3-Hydroxydodecanedioic acid, tri-TMS; Dodecanedioic acid, 3-hydroxy, TMS ether, bis-TMS ester; Dodecanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester; Dodecanedioic acid, 3-hydroxy, 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 | 2262. | 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 | OV-1 | 2277. | 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 | 2231. | 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 | 2274. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 2274. | Verhaeghe, van Bocxlaer, et al., 1992 | 25. m/0.32 mm/0.12 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
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]
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]
Verhaeghe, van Bocxlaer, et al., 1992
Verhaeghe, B.J.; van Bocxlaer, J.F.; de Leenheer, A.P.,
Gas chromatographic/mass spectrometric identification of 3-hydroxydicarboxylic acids in urine,
Biol. Mass Spectrom., 1992, 21, 1, 27-32, https://doi.org/10.1002/bms.1200210107
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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