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4-OH-Bz43333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCCCNCCCNCCCNCCCNCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C23H44N6O2/c24-11-3-13-26-15-5-17-28-19-6-18-27-16-4-14-25-12-1-2-20-29-23(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 | 3.12 |
| Rt HDX | 2.26 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 192.10191 | 174.09134 | 175.07536 | 209.12845 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 249.15975 | 231.14919 | 232.13321 | 266.18630 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 323.24415 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 380.30200 | 229.23867 | 212.21212 | 246.26522 |
| 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 | 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 |
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 |
|---|
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |