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Valerobetaine
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. bistriata |
| Synonym | |
| Molecular formula | C₈H₁₈NO₂ |
| CAS | 6778-33-2 |
| SMILES | OC(CCCC[N+](C)(C)C)=O |
| InChI | InChI=1S/C8H17NO2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3/p+1 |
| |
| Precursor 1 M⁺ | 160.13321 |
| Precursor 2 | |
| Precursor 3 | |
| |
| HDX | 1 |
| Precursor HDX 1 M(D₁)⁺ | 161.13948 |
| Precursor HDX 2 | |
| Precursor HDX 3 | |
| |
| Rt | 1.46 / 1.54 |
| Rt HDX | 1.41 |
MS/MS fragments
| m/z | Molecular formula | Annotation |
|---|
| 160.13321 | C₈H₁₈NO₂ | M⁺ |
| 101.05971 | C₅H₉O₂ | |
| 83.04914 | C₅H₇O | |
| 60.08078 | C₃H₁₀N | |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 160.13321 | | P. bistriata | Prof. Dr. Wagner Ferreira dos Santos, BRA | Y. M. Forster |
| Data | HDX | | P. bistriata | Prof. Dr. Wagner Ferreira dos Santos, BRA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| | | | | |
Spider species
| Spider species | Family | Discovered |
|---|
| Parawixia bistriata | Araneidae | 2020 / Y. M. Forster |