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4-OH-IndAcAsn433Lys
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₃₀H₅₁N₉O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCNCCCNCCCNC(C(CCCCN)N)=O)=O |
| InChI | InChI=1S/C30H51N9O5/c31-11-2-1-8-22(32)29(43)36-17-7-15-35-14-6-13-34-12-3-4-16-37-30(44)24(19-26(33)41)39-27(42)18-21-20-38-23-9-5-10-25(40)28(21)23/h5,9-10,20,22,24,34-35,38,40H,1-4,6-8,11-19,31-32H2,(H2,33,41)(H,36,43)(H,37,44)(H,39,42) |
| |
| Precursor 1 [M+H]⁺ | 618.40859 |
| Precursor 2 [M+2H]²⁺ | 309.70793 |
| Precursor 3 | |
| |
| HDX | 13 |
| Precursor HDX [M(D₁₃)+D]⁺ | 632.49647 |
| Precursor HDX 2 [M(D₁₃)+2D]²⁺ | 317.25501 |
| Precursor HDX 3 | |
| |
| Rt | 5.57 |
| Rt HDX | 4.45 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 186.16009 | 169.13354 | 203.18664 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 243.21794 | 226.19139 | 260.24449 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 433.25578 | 314.29144 | 297.26489 | 331.31799 |
| 4 | 473.28708 | 455.27652 | 456.26053 | 618.40859 | 428.33436 | 411.30782 | 445.36091 |
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 | 618.40859 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 309.70793 | | 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 |