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PA4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₁₁H₂₆N₄O |
| CAS | — |
| SMILES | NCCCCNC(CCNCCCCN)=O |
| InChI | InChI=1S/C11H26N4O/c12-6-1-3-8-14-10-5-11(16)15-9-4-2-7-13/h14H,1-10,12-13H2,(H,15,16) |
| |
| Precursor 1 [M+H]⁺ | 231.21794 |
| Precursor 2 [M+2H]²⁺ | 116.11261 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 238.26188 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 120.13771 |
| Precursor HDX 3 | |
| |
| Rt | 1.09 |
| Rt HDX | 1.07 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 72.08078 | 54.07021 | 55.05423 | 89.10732 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 143.11789 | 125.10732 | 126.09134 | 160.14444 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 214.19139 | 196.18082 | 197.16484 | 231.21794 | 214.19139 | 197.16484 | 231.21794 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 231.21794 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | 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 |
|---|
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |