| SpectraBase Spectrum ID |
JFfP6o8azC4 |
| Name |
Valine |
| CAS Registry Number |
72-18-4 |
| Classification |
Amino acid |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
117.078978596 u |
| Formula |
C5H11NO2 |
| InChI |
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) |
| InChIKey |
KZSNJWFQEVHDMF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
117.148 g/mol |
| Nominal Mass |
117 u |
| Quality |
762 |
| SMILES |
OC(C(C(C)C)N)=O |
| SPLASH |
splash10-05fr-9000000000-9bcf85dcb709a154e144 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(S)-2-Amino-3-methylbutyric acid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_006256 |
