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4-OH-IndAcAsn43Lys
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₇H₄₄N₈O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCNCCCNC(C(CCCCN)N)=O)=O |
| InChI | InChI=1S/C27H44N8O5/c28-10-2-1-7-19(29)26(39)32-14-6-12-31-11-3-4-13-33-27(40)21(16-23(30)37)35-24(38)15-18-17-34-20-8-5-9-22(36)25(18)20/h5,8-9,17,19,21,31,34,36H,1-4,6-7,10-16,28-29H2,(H2,30,37)(H,32,39)(H,33,40)(H,35,38) |
| |
| Precursor 1 [M+H]⁺ | 561.35074 |
| Precursor 2 [M+2H]²⁺ | 281.17901 |
| Precursor 3 | |
| |
| HDX | 12 |
| Precursor HDX [M(D₁₂)+D]⁺ | 574.43234 |
| Precursor HDX 2 [M(D₁₂)+2D]²⁺ | 288.22295 |
| Precursor HDX 3 | |
| |
| Rt | 5.79 |
| Rt HDX | 4.73 |
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 | 257.23359 | 240.20704 | 274.26014 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 561.35074 | 371.27652 | 354.24997 | 388.30306 |
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 | 561.35074 | | 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 |