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4-OH-IndAcAsn5
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₁₉H₂₇N₅O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCN)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C19H27N5O4/c20-7-2-1-3-8-22-19(28)14(10-16(21)26)24-17(27)9-12-11-23-13-5-4-6-15(25)18(12)13/h4-6,11,14,23,25H,1-3,7-10,20H2,(H2,21,26)(H,22,28)(H,24,27) |
| |
| Precursor 1 [M+H]⁺ | 390.21358 |
| Precursor 2 [M+2H]²⁺ | 195.61043 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 399.27007 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 200.64181 |
| Precursor HDX 3 | |
| |
| Rt | 8.69 |
| Rt HDX | 7.61 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 86.09643 | 69.06988 | 103.12297 |
| 2 | 373.18703 | 355.17647 | 356.16048 | 390.21358 | 200.13935 | 183.11280 | 217.16590 |
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 | 390.21358 | | 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 |