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4-OH-Bz33343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₆O₂ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCNCCCNCCCNCCCCNCCCN |
| InChI | InChI=1S/C23H44N6O2/c24-11-3-14-25-12-1-2-13-26-15-4-16-27-17-5-18-28-19-6-20-29-23(31)21-7-9-22(30)10-8-21/h7-10,25-28,30H,1-6,11-20,24H2,(H,29,31) |
| |
| Precursor 1 [M+H]⁺ | 437.35985 |
| Precursor 2 [M+2H]²⁺ | 219.18356 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 446.41634 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 224.21495 |
| Precursor HDX 3 | |
| |
| Rt | 3.07 |
| Rt HDX | 2.26 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 292.20195 | 274.19139 | 275.17540 | 309.22850 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 380.30200 | 243.25432 | 226.22777 | 260.28087 |
| 5 | 420.33330 | 402.32274 | 403.30675 | 437.35985 | 300.31217 | 283.28562 | 317.33872 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 219.18356 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 437.35985 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 219.18356 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 437.35985 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 219.18356 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |