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2,5-(OH)₂-Bz43333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₆O₃ |
| CAS | — |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCCNCCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C23H44N6O3/c24-9-3-11-26-13-5-15-28-17-6-16-27-14-4-12-25-10-1-2-18-29-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-28,30-31H,1-6,9-18,24H2,(H,29,32) |
| |
| Precursor 1 [M+H]⁺ | 453.35477 |
| Precursor 2 [M+2H]²⁺ | 227.18102 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 463.41753 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 232.71554 |
| Precursor HDX 3 | |
| |
| Rt | 6.35 |
| Rt HDX | 4.75 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 208.09682 | 190.08626 | 191.07027 | 225.12337 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 339.23907 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 396.29692 | 229.23867 | 212.21212 | 246.26522 |
| 5 | 436.32822 | 418.31765 | 419.30167 | 453.35477 | 300.31217 | 283.28562 | 317.33872 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 453.35477 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 227.18102 | | 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 |