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2,4-(OH)₂-PhAcAsn43Lys
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₅H₄₃N₇O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNC(C(CCCCN)N)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C25H43N7O6/c26-9-2-1-6-19(27)24(37)30-13-5-11-29-10-3-4-12-31-25(38)20(16-22(28)35)32-23(36)14-17-7-8-18(33)15-21(17)34/h7-8,15,19-20,29,33-34H,1-6,9-14,16,26-27H2,(H2,28,35)(H,30,37)(H,31,38)(H,32,36) |
| |
| Precursor 1 [M+H]⁺ | 538.33476 |
| Precursor 2 [M+2H]²⁺ | 269.67102 |
| Precursor 3 | |
| |
| HDX | 12 |
| Precursor HDX [M(D₁₂)+D]⁺ | 551.41636 |
| Precursor HDX 2 [M(D₁₂)+2D]²⁺ | 276.71495 |
| Precursor HDX 3 | |
| |
| Rt | 3.56 |
| Rt HDX | 2.77 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 186.16009 | 169.13354 | 203.18664 |
| 2 | 336.15540 | 318.14483 | 319.12885 | 353.18195 | 257.23359 | 240.20704 | 274.26014 |
| 3 | 393.21325 | 375.20268 | 376.18670 | 538.33476 | 371.27652 | 354.24997 | 388.30306 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 538.33476 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 269.67102 | | 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 |