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4-OH-IndAcAsn43
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus & T. clavipes |
| Synonym | — |
| Molecular formula | C₂₁H₃₂N₆O₄ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCNCCCN)=O |
| InChI | InChI=1S/C21H32N6O4/c22-7-4-9-24-8-1-2-10-25-21(31)16(12-18(23)29)27-19(30)11-14-13-26-15-5-3-6-17(28)20(14)15/h3,5-6,13,16,24,26,28H,1-2,4,7-12,22H2,(H2,23,29)(H,25,31)(H,27,30) |
| |
| Precursor 1 [M+H]⁺ | 433.25578 |
| Precursor 2 [M+2H]²⁺ | 217.13153 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX [M(D₉)+D]⁺ | 443.31855 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 222.66605 |
| Precursor HDX 3 | |
| |
| Rt | 5.97 |
| Rt HDX | 4.96 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 433.25578 | 243.18155 | 226.15500 | 260.20810 |
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 | 433.25578 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 433.25578 | | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |