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2,5-(OH)₂-Bz3(OH)33433
33433.png)
33433_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₆H₅₁N₇O₄ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCNCCCNCCCN)C1=C(O)C=CC(O)=C1 |
| InChI | InChI=1S/C26H51N7O4/c27-10-3-13-30-16-4-14-28-11-1-2-12-29-15-5-17-31-18-6-20-33(37)21-7-19-32-26(36)24-22-23(34)8-9-25(24)35/h8-9,22,28-31,34-35,37H,1-7,10-21,27H2,(H,32,36) |
| |
| Precursor 1 [M+H]⁺ | 526.40753 |
| Precursor 2 [M+2H]²⁺ | 263.70740 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 537.47657 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 269.74506 |
| Precursor HDX 3 | |
| |
| Rt | 6.65 |
| Rt HDX | 4.79 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 194.08117 | 176.07060 | 177.05462 | 227.10263 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 267.13393 | 249.12337 | 250.10738 | 284.16048 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 324.19178 | 306.18122 | 307.16523 | 341.21833 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 395.26528 | 377.25472 | 378.23873 | 412.29183 | 243.25432 | 226.22777 | 260.28087 |
| 5 | 452.32313 | 434.31257 | 435.29658 | 469.34968 | 300.31217 | 283.28562 | 333.33364 |
| 6 | 509.38098 | 491.37042 | 492.35443 | 526.40753 | 373.36494 | 356.33839 | 390.39149 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 263.70740 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 526.40753 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 263.70740 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 526.40753 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 263.70740 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 263.70740 | | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |