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Ac343
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2020 / div. |
| Synonym | — |
| Molecular formula | C₁₂H₂₈N₄O |
| CAS | 25593-72-0 |
| SMILES | CC(NCCCNCCCCNCCCN)=O |
| InChI | InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) |
| |
| Precursor 1 [M+H]⁺ | 245.23359 |
| Precursor 2 [M+2H]²⁺ | 123.12043 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 251.27125 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 126.64240 |
| Precursor HDX 3 | |
| |
| Rt | 1.17 |
| Rt HDX | 1.11 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 171.14919 | 153.13862 | 154.12264 | 188.17574 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 228.20704 | 210.19647 | 211.18049 | 245.23359 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 245.23359 | Ac334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | Ac334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 245.23359 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | HDX | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | 245.23359 | | 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 |
|---|
| A conceptual model of the polyamine binding site of N1-acetylpolyamine oxidase developed from a study of polyamine derivatives | K. Takao, S. Shibata, T. Ozawa, M. Wada, Y. Sugitia, K. Samejima, A. Shirahata, Amino acids 2009, 37, 401-405 | | | Activity-studies | 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 |
|---|
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Atrax robustus | Atracidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |