Navigation :
PA3(OH)3(OH)43
3(OH)43.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₃H₃₃N₅O₂ |
| CAS | — |
| SMILES | NCCCN(O)CCCN(CCCCNCCCN)O |
| InChI | InChI=1S/C13H33N5O2/c14-6-3-9-16-8-1-2-10-17(19)12-5-13-18(20)11-4-7-15/h16,19-20H,1-15H2 |
| |
| Precursor 1 [M+H]⁺ | 292.27070 |
| Precursor 2 [M+2H]²⁺ | 146.63899 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 300.32092 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 151.16723 |
| Precursor HDX 3 | |
| |
| Rt | 1.10 |
| Rt HDX | 1.05 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 91.08659 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 131.11789 | 113.10732 | 114.09134 | 164.13935 | 129.13862 | 112.11208 | 162.16009 |
| 3 | 218.18630 | 200.17574 | 201.15975 | 235.21285 | 202.19139 | 185.16484 | 235.21285 |
| 4 | 275.24415 | 257.23359 | 258.21760 | 292.27070 | 275.24415 | 258.21760 | 292.27070 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 292.27070 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |