2-Ethyl-3-hydroxypropionic acid, di-TMS

Formula: C₁₁H₂₆O₃Si₂
Molecular weight: 262.4933
IUPAC Standard InChI: InChI=1S/C11H26O3Si2/c1-8-10(9-13-15(2,3)4)11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
IUPAC Standard InChIKey: NOZIRIVQUPXLEI-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2-Ethylhydracrylic acid, di-TMS; Ethylhydracrylic acid, diTMS; Hydracrylic acid, 2-ethyl, bis-TMS; 2-Ethylhydracrylic acid, TMS
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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	1232.	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	1239.	Lefevere, Verhaeghe, et al., 1989	10. m/0.22 mm/0.17 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C
Capillary	SE-52	1236.	Lefevere, Verhaeghe, et al., 1989	25. m/0.32 mm/0.52 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C
Capillary	SE-52	1240.	Lefevere, Verhaeghe, et al., 1988	25. m/0.20 mm/0.40 μm, He, 5. K/min; T_start: 50. C; T_end: 270. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1231.	Tsai, Oliphant, et al., 1985	He; Program: not specified
Packed	OV-101	1233.	Tanaka and Hine, 1982	Program: not specified

References

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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]

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]

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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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