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4-OH-IndAcAsn4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₅H₃₉N₇O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCNC(CCNCCCCN)=O)=O |
| InChI | InChI=1S/C25H39N7O5/c26-9-1-2-10-28-13-8-22(35)29-11-3-4-12-30-25(37)19(15-21(27)34)32-23(36)14-17-16-31-18-6-5-7-20(33)24(17)18/h5-7,16,19,28,31,33H,1-4,8-15,26H2,(H2,27,34)(H,29,35)(H,30,37)(H,32,36) |
| |
| Precursor 1 [M+H]⁺ | 518.30854 |
| Precursor 2 [M+2H]²⁺ | 259.65791 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 529.37759 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 265.69557 |
| Precursor HDX 3 | |
| |
| Rt | 8.41 |
| Rt HDX | 7.21 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 430.20850 | 412.19793 | 413.18195 | 447.23504 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 501.28199 | 483.27143 | 484.25545 | 518.30854 | 328.23432 | 311.20777 | 345.26087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 518.30854 | | 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 |