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2,5-(OH)₂-Bz4(OH)3(OH)33
3(OH)33.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta & Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₀H₃₇N₅O₅ |
| CAS | — |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCCN(O)CCCN(O)CCCNCCCN |
| InChI | InChI=1S/C20H37N5O5/c21-8-3-9-22-10-4-13-25(30)15-5-14-24(29)12-2-1-11-23-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22,26-27,29-30H,1-5,8-15,21H2,(H,23,28) |
| |
| Precursor 1 [M+H]⁺ | 428.28675 |
| Precursor 2 [M+2H]²⁺ | 214.64701 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 437.34324 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 219.67839 |
| Precursor HDX 3 | |
| |
| Rt | 9.00 |
| Rt HDX | 7.07 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 208.09682 | 190.08626 | 191.07027 | 241.11828 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 281.14958 | 263.13902 | 264.12303 | 314.17105 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 354.20235 | 336.19178 | 337.17580 | 371.22890 | 188.17574 | 171.14919 | 221.19720 |
| 4 | 411.26020 | 393.24963 | 394.23365 | 428.28675 | 275.24415 | 258.21760 | 292.27070 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 428.28675 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 428.28675 | | 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 curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |