| SpectraBase Spectrum ID |
AnVa8rEpu95 |
| Name |
Valin |
| CAS Registry Number |
72-18-4 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. 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 |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
117.148 g/mol |
| Nominal Mass |
117 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
118.086 |
| SMILES |
OC(C(N)C(C)C)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-amino-3-methylbutanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_994.5 |
