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4-OH-IndAcAsn4ßAla4Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₃₁H₅₁N₁₁O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNC(CCNCCCCNC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C31H51N11O6/c32-21(7-6-15-40-31(34)35)29(47)38-13-2-1-11-36-16-10-26(45)37-12-3-4-14-39-30(48)23(18-25(33)44)42-27(46)17-20-19-41-22-8-5-9-24(43)28(20)22/h5,8-9,19,21,23,36,41,43H,1-4,6-7,10-18,32H2,(H2,33,44)(H,37,45)(H,38,47)(H,39,48)(H,42,46)(H4,34,35,40) |
| |
| Precursor 1 [M+H]⁺ | 674.40965 |
| Precursor 2 [M+2H]²⁺ | 337.70847 |
| Precursor 3 | |
| |
| HDX | 15 |
| Precursor HDX [M(D₁₅)+D]⁺ | 690.51008 |
| Precursor HDX 2 [M(D₁₅)+2D]²⁺ | 346.26182 |
| Precursor HDX 3 | |
| |
| Rt | 9.06 |
| Rt HDX | 7.76 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 228.18189 | 211.15534 | 245.20844 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 299.21900 | 282.19245 | 316.24555 |
| 3 | 430.20850 | 412.19793 | 413.18195 | 447.23504 | 370.29250 | 353.26595 | 387.31905 |
| 4 | 501.28199 | 483.27143 | 484.25545 | 674.40965 | 484.33543 | 467.30888 | 501.36198 |
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 | 674.40965 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 337.70847 | | 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 |