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4-Guanidinobutyric acid
General Description
| Name | Value |
|---|
| Level | S-1 / C-2 Link |
| Discovered | 2020 / P. bistriata & P. viridans |
| Synonym | |
| Molecular formula | C₅H₁₁N₃O₂ |
| CAS | 463-00-3 |
| SMILES | OC(CCCNC(N)=N)=O |
| InChI | InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) |
| |
| Precursor 1 [M+H]⁺ | 146.09240 |
| Precursor 2 | |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 152.13006 |
| Precursor HDX 2 | |
| Precursor HDX 3 | |
| |
| Rt | 1.49 / 1.61 |
| Rt HDX | 1.44 |
MS/MS fragments
| m/z | Molecular formula | Annotation |
|---|
| 146.09240 | C₅H₁₂N₃O₂ | [M+H]⁺ |
| 129.06585 | C₅H₉N₂O₂ | [M+H-NH₃]⁺ |
| 128.08184 | C₅H₁₀N₃O | [M+H-H₂O]⁺ |
| 111.05529 | C₅H₇N₂O | [M+H-NH₃-H₂O]⁺ |
| 104.07061 | C₄H₁₀NO₂ | |
| 87.04406 | C₄H₇O₂ | |
| 86.06004 | C₄H₈NO | |
| 60.05697 | C₃H₈O | |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 146.09240 | | P. viridans | Spider Pharm, USA | Y. M. Forster |
| Data | 146.09240 | | 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 |
|---|
| Massbank | | ML001501 | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Parawixia bistriata | Araneidae | 2020 / Y. M. Forster |
| Peucetia viridans | Oxyopidae | 2020 / Y. M. Forster |