Navigation :
4-OH-Bz334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₈H₃₂N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCCNC(N)=N)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C18H32N6O2/c19-18(20)24-13-2-1-9-21-10-3-11-22-12-4-14-23-17(26)15-5-7-16(25)8-6-15/h5-8,21-22,25H,1-4,9-14H2,(H,23,26)(H4,19,20,24) |
| |
| Precursor 1 [M+H]⁺ | 365.26595 |
| Precursor 2 [M+2H]²⁺ | 183.13661 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 374.32244 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 188.16800 |
| Precursor HDX 3 | |
| |
| Rt | 4.13 |
| Rt HDX | 3.08 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 365.26595 | 228.21827 | 211.19172 | 245.24482 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 365.26595 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 365.26595 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | 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 |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |