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2,5-(OH)₂-Bz5(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₈H₃₂N₄O₄ |
| CAS | — |
| SMILES | ON(CCCNCCCN)CCCCCNC(C1=C(O)C=CC(O)=C1)=O |
| InChI | InChI=1S/C18H32N4O4/c19-8-4-9-20-10-5-13-22(26)12-3-1-2-11-21-18(25)16-14-15(23)6-7-17(16)24/h6-7,14,20,23-24,26H,1-5,8-13,19H2,(H,21,25) |
| |
| Precursor 1 [M+H]⁺ | 369.24963 |
| Precursor 2 [M+2H]²⁺ | 185.12845 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 377.29985 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 189.65670 |
| Precursor HDX 3 | |
| |
| Rt | 9.78 |
| Rt HDX | 7.84 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 222.11247 | 204.10191 | 205.08592 | 255.13393 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 295.16523 | 277.15467 | 278.13868 | 312.19178 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 352.22308 | 334.21252 | 335.19653 | 369.24963 | 216.20704 | 199.18049 | 233.23359 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 369.24963 | | 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 |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |