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PA3(Me)43
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₁₁H₂₈N₄ |
| CAS | 56-19-9 |
| SMILES | NCCCN(C)CCCCNCCCN |
| InChI | InChI=1S/C11H28N4/c1-15(11-5-7-13)10-3-2-8-14-9-4-6-12/h14H,2-13H2,1H3 |
| |
| Precursor 1 [M+H]⁺ | 217.23867 |
| Precursor 2 [M+2H]²⁺ | 109.12297 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 223.27633 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 112.64494 |
| Precursor HDX 3 | |
| |
| Rt | 1.07 |
| Rt HDX | 1.01 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 89.10732 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 143.15428 | 125.14371 | 126.12773 | 160.18082 | 129.13862 | 112.11208 | 160.18082 |
| 3 | 200.21212 | 182.20156 | 183.18558 | 217.23867 | 200.21212 | 183.18558 | 217.23867 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 217.23867 | PA353 | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | PA353 | L. cornutus | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Structure elucidation of polyamine toxins in the venom of the spider Larinioides folium | S. Eichenberger, L. Bigler, S. Bienz, Helv. Chim. Acta 2007, 61, 161-164 | L. patagiatus | | PA3(Me)43 as polyamine backbone in APA | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |