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PA43ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₁₄H₃₃N₅O |
| CAS | — |
| SMILES | NCCCCNCCCNC(CCNCCCCN)=O |
| InChI | InChI=1S/C14H33N5O/c15-7-1-3-9-17-11-5-12-19-14(20)6-13-18-10-4-2-8-16/h17-18H,1-13,15-16H2,(H,19,20) |
| |
| Precursor 1 [M+H]⁺ | 288.27579 |
| Precursor 2 [M+2H]²⁺ | 144.64153 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 296.32600 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 149.16978 |
| Precursor HDX 3 | |
| |
| Rt | 1.08 |
| Rt HDX | 1.06 |
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 | 129.13862 | 111.12806 | 112.11208 | 146.16517 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 200.17574 | 182.16517 | 183.14919 | 217.20229 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 271.24924 | 253.23867 | 254.22269 | 288.27579 | 271.24924 | 254.22269 | 288.27579 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 288.27579 | PA34ßAla4 | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | PA34ßAla4 | 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 |