Navigation :
Valine
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 1994 / C. salei |
| Synonym | |
| Molecular formula | C₅H₁₁NO₂ |
| CAS | 72-18-4 |
| SMILES | OC(C(N)C(C)C)=O |
| InChI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) |
| |
| Precursor 1 [M+H]⁺ | 118.08626 |
| Precursor 2 | |
| Precursor 3 | |
| |
| HDX | 3 |
| Precursor HDX 1 [M(D₃)+D]⁺ | 122.11136 |
| Precursor HDX 2 | |
| Precursor HDX 3 | |
| |
| Rt | 1.45 |
| Rt HDX | |
MS/MS fragments
| m/z | Molecular formula | Annotation |
|---|
| 118.08626 | C₅H₁₂NO₂ | [M+H]⁺ |
| 72.08078 | C₄H₁₀N | [M+H-HCCOH]⁺ |
| 55.05423 | C₄H₇ | [M+H-HCOOH-NH₃]⁺ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 118.08626 | | L-Valine | Fluka | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Purification of toxic peptides and the amino acid sequence of CSTX-1 from the multicomponent venom of Cupiennius salei (Araneae: Ctenidae) | L. Kuhn-Nentwig, J. Schaller, W. Nentwig, Toxicon 1994, 32, 3, 287-302 | C. salei | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Cupiennius salei | Cupiennius | 1994 / L. Kuhn-Nentwig |