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2,5-(OH)₂-Bz343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₇H₃₀N₄O₃ |
| CAS | — |
| SMILES | NCCCNCCCCNCCCNC(C1=C(O)C=CC(O)=C1)=O |
| InChI | InChI=1S/C17H30N4O3/c18-7-3-10-19-8-1-2-9-20-11-4-12-21-17(24)15-13-14(22)5-6-16(15)23/h5-6,13,19-20,22-23H,1-4,7-12,18H2,(H,21,24) |
| |
| Precursor 1 [M+H]⁺ | 339.23907 |
| Precursor 2 [M+2H]²⁺ | 170.12317 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 347.28928 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 174.65142 |
| Precursor HDX 3 | |
| |
| Rt | 4.94 |
| Rt HDX | 3.67 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 194.08117 | 176.07060 | 177.05462 | 211.10772 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 339.23907 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 339.23907 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 339.23907 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 339.23907 | | 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 sp. | Agelenidae | 2020 / Y. M. Forster |