Navigation :
4-OH-Bz3(OH)3(OH)343
3(OH)343.png)
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2020 / A. potteri & Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₆O₄ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCN(O)CCCN(O)CCCNCCCCNCCCN |
| InChI | InChI=1S/C23H44N6O4/c24-11-3-14-25-12-1-2-13-26-15-4-17-28(32)19-6-20-29(33)18-5-16-27-23(31)21-7-9-22(30)10-8-21/h7-10,25-26,30,32-33H,1-6,11-20,24H2,(H,27,31) |
| |
| Precursor 1 [M+H]⁺ | 469.34968 |
| Precursor 2 [M+2H]²⁺ | 235.17848 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 478.40617 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 240.20986 |
| Precursor HDX 3 | |
| |
| Rt | 5.68 |
| Rt HDX | 4.17 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 284.16048 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 324.19178 | 306.18122 | 307.16523 | 341.21833 | 186.19647 | 169.16993 | 219.21794 |
| 4 | 395.26528 | 377.25472 | 378.23873 | 412.29183 | 259.24924 | 242.22269 | 292.27070 |
| 5 | 452.32313 | 434.31257 | 435.29658 | 469.34968 | 332.30200 | 315.27545 | 349.32855 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 469.34968 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 469.34968 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 235.17848 | | 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 potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |