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Ac353
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₁₃H₃₀N₄O |
| CAS | — |
| SMILES | CC(NCCCNCCCCCNCCCN)=O |
| InChI | InChI=1S/C13H30N4O/c1-13(18)17-12-6-11-16-9-4-2-3-8-15-10-5-7-14/h15-16H,2-12,14H2,1H3,(H,17,18) |
| |
| Precursor 1 [M+H]⁺ | 259.24924 |
| Precursor 2 [M+2H]²⁺ | 130.12826 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX [M(D₅)+D]⁺ | 265.28690 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 133.65023 |
| Precursor HDX 3 | |
| |
| Rt | 1.18 |
| Rt HDX | 1.16 |
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 | 185.16484 | 167.15428 | 168.13829 | 202.19139 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 242.22269 | 224.21212 | 225.19614 | 259.24924 | 200.21212 | 183.18558 | 217.23867 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 259.24924 | Ac3(Me)43 | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |