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PA33ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₁₃H₃₁N₅O |
| CAS | — |
| SMILES | NCCCNCCCNC(CCNCCCCN)=O |
| InChI | InChI=1S/C13H31N5O/c14-6-1-2-8-17-12-5-13(19)18-11-4-10-16-9-3-7-15/h16-17H,1-12,14-15H2,(H,18,19) |
| |
| Precursor 1 [M+H]⁺ | 274.26014 |
| Precursor 2 [M+2H]²⁺ | 137.63371 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 282.31035 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 142.16195 |
| Precursor HDX 3 | |
| |
| Rt | 1.08 |
| Rt HDX | 1.01 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 75.09167 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 115.12297 | 97.11241 | 98.09643 | 132.14952 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 186.16009 | 168.14952 | 169.13354 | 203.18664 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 257.23359 | 239.22302 | 240.20704 | 274.26014 | 257.23359 | 240.20704 | 274.26014 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 274.26014 | | 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 |