Glycine, N-(3-methyl-1-oxo-2-butenyl)-, trimethylsilyl ester

Formula: C₁₀H₁₉NO₃Si
Molecular weight: 229.3483
IUPAC Standard InChI: InChI=1S/C10H19NO3Si/c1-8(2)6-9(12)11-7-10(13)14-15(3,4)5/h6H,7H2,1-5H3,(H,11,12)
IUPAC Standard InChIKey: CIBNSCXUKAEBGH-UHFFFAOYSA-N
CAS Registry Number: 54824-02-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 3-Methylcrotonylglycine, mono-TMS; Glycine, N-(3-methyl-2-butenoyl), mono-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	1564.	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	1562.	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	1575.	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
Packed	OV-1	1539.	Ramsdell and Tanaka, 1980	N2, Anakrom, 4. K/min; Column length: 2. m; T_start: 80. C
Packed	OV-1	1539.	Tanaka, Hine, et al., 1980	N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; T_end: 290. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	OV-101	1539.	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]

Ramsdell and Tanaka, 1980
Ramsdell, H.S.; Tanaka, K., Gas chromatographic retention indices of twenty metabolically important acylglycines as trimethylsilyl derivatives, J. Chromatogr., 1980, 181, 1, 90-94, https://doi.org/10.1016/S0378-4347(00)81273-6 . [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]

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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