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4-OH-Bz3(OH)3343Ac
3343Ac.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. potteri |
| Synonym | — |
| Molecular formula | C₂₅H₄₆N₆O₄ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCN(O)CCCNCCCNCCCCNCCCNC(C)=O |
| InChI | InChI=1S/C25H46N6O4/c1-22(32)29-18-5-16-27-13-3-2-12-26-14-4-15-28-17-6-20-31(35)21-7-19-30-25(34)23-8-10-24(33)11-9-23/h8-11,26-28,33,35H,2-7,12-21H2,1H3,(H,29,32)(H,30,34) |
| |
| Precursor 1 [M+H]⁺ | 495.36533 |
| Precursor 2 [M+2H]²⁺ | 248.18630 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 503.41554 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 252.71455 |
| Precursor HDX 3 | |
| |
| Rt | 6.07 |
| Rt HDX | 4.59 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 171.14919 | 154.12264 | 188.17574 |
| 3 | 308.19687 | 290.18630 | 291.17032 | 325.22342 | 228.20704 | 211.18049 | 245.23359 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 396.29692 | 285.26489 | 268.23834 | 318.28635 |
| 5 | 436.32822 | 418.31765 | 419.30167 | 495.36533 | 358.31765 | 341.29110 | 375.34420 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 495.36533 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | 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 |
|---|
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |