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4-OH-Bz4(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₇H₃₀N₄O₃ |
| CAS | — |
| SMILES | O=C(NCCCCN(O)CCCNCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C17H30N4O3/c18-9-3-10-19-11-4-14-21(24)13-2-1-12-20-17(23)15-5-7-16(22)8-6-15/h5-8,19,22,24H,1-4,9-14,18H2,(H,20,23) |
| |
| Precursor 1 [M+H]⁺ | 339.23907 |
| Precursor 2 [M+2H]²⁺ | 170.12317 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 346.28300 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 174.14828 |
| Precursor HDX 3 | |
| |
| Rt | 4.98 |
| Rt HDX | 3.70 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 192.10191 | 174.09134 | 175.07536 | 225.12337 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 339.23907 | 202.19139 | 185.16484 | 219.21794 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 339.23907 | 2,5-(OH)₂-Bz343 | 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 |