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4-OH-IndAcAsn43Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₇H₄₄N₁₀O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCNCCCNC(C(CCCNC(N)=N)N)=O)=O |
| InChI | InChI=1S/C27H44N10O5/c28-18(6-4-12-35-27(30)31)25(41)33-13-5-10-32-9-1-2-11-34-26(42)20(15-22(29)39)37-23(40)14-17-16-36-19-7-3-8-21(38)24(17)19/h3,7-8,16,18,20,32,36,38H,1-2,4-6,9-15,28H2,(H2,29,39)(H,33,41)(H,34,42)(H,37,40)(H4,30,31,35) |
| |
| Precursor 1 [M+H]⁺ | 589.35689 |
| Precursor 2 [M+2H]²⁺ | 295.18208 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX [M(D₁₄)+D]⁺ | 604.45104 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 303.23230 |
| Precursor HDX 3 | |
| |
| Rt | 6.82 |
| Rt HDX | 5.59 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 285.23974 | 268.21319 | 302.26629 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 589.35689 | 399.28266 | 382.25611 | 416.30921 |
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 | 589.35689 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 295.18208 | | 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 |