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4-OH-Bz3(OH)3334Gu
3334Gu.png)
3334Gu_Ea.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₂₄H₄₆N₈O₃ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCN(O)CCCNCCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C24H46N8O3/c25-24(26)31-17-2-1-11-27-12-3-13-28-14-4-15-29-16-5-19-32(35)20-6-18-30-23(34)21-7-9-22(33)10-8-21/h7-10,27-29,33,35H,1-6,11-20H2,(H,30,34)(H4,25,26,31) |
| |
| Precursor 1 [M+H]⁺ | 495.37656 |
| Precursor 2 [M+2H]²⁺ | 248.19192 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 506.44561 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 254.22958 |
| Precursor HDX 3 | |
| |
| Rt | 5.71 |
| Rt HDX | 4.17 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 308.19687 | 290.18630 | 291.17032 | 325.22342 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 365.25472 | 347.24415 | 348.22817 | 382.28127 | 285.27612 | 268.24957 | 318.29759 |
| 5 | 436.32822 | 418.31765 | 419.30167 | 495.37656 | 358.32889 | 341.30234 | 375.35543 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 495.37656 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 248.19192 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | 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 |