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2,5-(OH)₂-Bz3(OH)343
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₀H₃₇N₅O₄ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCCNCCCN)C1=C(O)C=CC(O)=C1 |
| InChI | InChI=1S/C20H37N5O4/c21-8-3-11-22-9-1-2-10-23-12-4-14-25(29)15-5-13-24-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-23,26-27,29H,1-5,8-15,21H2,(H,24,28) |
| |
| Precursor 1 [M+H]⁺ | 412.29183 |
| Precursor 2 [M+2H]²⁺ | 206.64955 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 421.34832 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 211.68094 |
| Precursor HDX 3 | |
| |
| Rt | 6.43 |
| Rt HDX | 4.63 |
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 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 338.20743 | 320.19687 | 321.18088 | 355.23398 | 186.19647 | 169.16993 | 219.21794 |
| 4 | 395.26528 | 377.25472 | 378.23873 | 412.29183 | 259.24924 | 242.22269 | 276.27579 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 412.29183 | 2,5-(OH)₂-Bz3(OH)334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 2,5-(OH)₂-Bz3(OH)334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 412.29183 | 2,5-(OH)₂-Bz3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 206.64955 | 2,5-(OH)₂-Bz3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 2,5-(OH)₂-Bz3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 412.29183 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 206.64955 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 412.29183 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 206.64955 | | 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 |