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4-OH-IndAcAsn333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₂₃H₃₇N₇O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C23H37N7O4/c24-7-2-8-26-9-3-10-27-11-4-12-28-23(34)18(14-20(25)32)30-21(33)13-16-15-29-17-5-1-6-19(31)22(16)17/h1,5-6,15,18,26-27,29,31H,2-4,7-14,24H2,(H2,25,32)(H,28,34)(H,30,33) |
| |
| Precursor 1 [M+H]⁺ | 476.29798 |
| Precursor 2 [M+2H]²⁺ | 238.65263 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 487.36702 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 244.69029 |
| Precursor HDX 3 | |
| |
| Rt | 5.05 |
| Rt HDX | 4.05 |
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 | 345.15573 | 327.14517 | 328.12918 | 362.18228 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 402.21358 | 384.20302 | 385.18703 | 419.24013 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 459.27143 | 441.26087 | 442.24488 | 476.29798 | 286.22375 | 269.19720 | 303.25030 |
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 | 476.29798 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | 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 |