DL-Valine

• Formula: C₅H₁₁NO₂
• Molecular weight: 117.1463
• IUPAC Standard InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) Copy

  
• IUPAC Standard InChIKey: KZSNJWFQEVHDMF-UHFFFAOYSA-N Copy
• CAS Registry Number: 516-06-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • D-Valine
  • Valine
• Other names: Valine, DL-; DL-α-Aminoisovaleric acid; DL-Val; Valine; 2-Amino-3-methylbutanoic acid, DL-; NSC 9755
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • IR Spectrum
  • UV/Visible spectrum
• Options:
  • Switch to calorie-based units

Ion clustering data

Go To: Top, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₅H₁₀NO₂⁺ +  = (C₅H₁₀NO₂⁺ • )

By formula: C₅H₁₀NO₂⁺ + C₅H₁₁NO₂ = (C₅H₁₀NO₂⁺ • C₅H₁₁NO₂)

C₅H₁₂NO₂⁺ +  = (C₅H₁₂NO₂⁺ • )

By formula: C₅H₁₂NO₂⁺ + C₅H₁₁NO₂ = (C₅H₁₂NO₂⁺ • C₅H₁₁NO₂)

 +  = ( • )

By formula: Na⁺ + C₅H₁₁NO₂ = (Na⁺ • C₅H₁₁NO₂)

Mass spectrum (electron ionization)

Go To: Top, Ion clustering data, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H., Solvation and Association of Protonated Gaseous Amino Acids, J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024 . [all data]

Gapeev and Dunbar, 2003
Gapeev, A.; Dunbar, R.C., Na+ Affinities of Gas-Phase Amino Acids by Ligand Exchange Equilibrium, Int. J. Mass Spectrom., 2003, 228, 2-3, 825, https://doi.org/10.1016/S1387-3806(03)00242-2 . [all data]

Kish, Ohanessian, et al., 2003
Kish, M.M.; Ohanessian, G.; Wesdemiotis, C., The Na+ affinities of a-amino acids: side-chain substituent effects, Int. J. Mass Spectrom., 2003, 227, 3, 509, https://doi.org/10.1016/S1387-3806(03)00082-4 . [all data]

Notes

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.