N-Acetylvaline
1365
Reference
N-Acetylvaline Structure
Systematic / IUPAC Name: N-Acetyl-DL-valine
ID: Reference1365
Other Names:
2-acetamido-3-methylbutanoic acid;
2-Acetamido-3-Methyl-Butanoic Acid;
DL-Valine, N-acetyl-
Formula: C7H13NO3
Class: Endogenous Metabolites
Spectral Data
N-Acetylvaline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 99 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 8:04:02 AM |
Identificators
| InChI | InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11) |
| InChI Key | IHYJTAOFMMMOPX-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C(C(=O)O)NC(=O)C |
| CAS | 3067194 |
| Splash | |
| Other Names |
2-acetamido-3-methylbutanoic acid; 2-Acetamido-3-Methyl-Butanoic Acid; DL-Valine, N-acetyl- |