N-Isovalerylglycine, 2TMS derivative

• Formula: C₁₃H₂₉NO₃Si₂
• Molecular weight: 303.5453
• IUPAC Standard InChI: InChI=1S/C13H29NO3Si2/c1-11(2)9-12(15)14(18(3,4)5)10-13(16)17-19(6,7)8/h11H,9-10H2,1-8H3 Copy

  
• IUPAC Standard InChIKey: VESHMUUEOMEAOM-UHFFFAOYSA-N Copy
• CAS Registry Number: 55520-90-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Glycine, N-(3-methyl-1-oxobutyl)-N-(trimethylsilyl)-, trimethylsilyl ester; N-(1-Oxo-isovaleryl)glycine, N,O-di(trimethylsilyl) deriv.; Isovaleroylglycine, N,O-(di-TMS)-; Isovalerylglycine, di-TMS
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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

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

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References

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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]

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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