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4-OH-Bz5(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₈H₃₂N₄O₃ |
| CAS | — |
| SMILES | NCCCNCCCN(O)CCCCCNC(C1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C18H32N4O3/c19-10-4-11-20-12-5-15-22(25)14-3-1-2-13-21-18(24)16-6-8-17(23)9-7-16/h6-9,20,23,25H,1-5,10-15,19H2,(H,21,24) |
| |
| Precursor 1 [M+H]⁺ | 353.25472 |
| Precursor 2 [M+2H]²⁺ | 177.13100 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 360.29865 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 181.15610 |
| Precursor HDX 3 | |
| |
| Rt | 6.71 |
| Rt HDX | 5.23 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 206.11756 | 188.10699 | 189.09101 | 239.13902 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 279.17032 | 261.15975 | 262.14377 | 296.19687 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 336.22817 | 318.21760 | 319.20162 | 353.25472 | 216.20704 | 199.18049 | 233.23359 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 353.25472 | | 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 |