Kynurenic Acid, 2TMS derivative

• Formula: C₁₆H₂₃NO₃Si₂
• Molecular weight: 333.5297
• IUPAC Standard InChI: InChI=1S/C16H23NO3Si2/c1-21(2,3)19-15-11-14(16(18)20-22(4,5)6)17-13-10-8-7-9-12(13)15/h7-11H,1-6H3 Copy

  
• IUPAC Standard InChIKey: UWPAYSHAYKTMBD-UHFFFAOYSA-N Copy
• CAS Registry Number: 36972-84-6
• Chemical structure:
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• Other names: 2-Quinolinecarboxylic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester; Kynurenic acid (2TMS); Kynurenic acid di-TMS; Trimethylsilyl 4-[(trimethylsilyl)oxy]-2-quinolinecarboxylate; Kynurenic acid, trimethylsilyl ether, trimethylsilyl ester; Kinurenic acid, bis-TMS; Kynurenic acid, TMS
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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.

Tuchman, Bowers, et al., 1984
Tuchman, M.; Bowers, L.D.; Fregien, K.D.; Crippin, P.J.; Krivit, W., Capillary Gas Chromatographic Separation of Urinary Organic Acids. Retention Indices of 101 Urinary Acids on a 5% Phenylmethyl Silicone Capillary Column, J. Chromatogr. Sci., 1984, 22, 5, 198-202, https://doi.org/10.1093/chromsci/22.5.198 . [all data]

Butts, 1972
Butts, W.C., Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds, Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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