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4-OH-Bz3(OH)33433
33433.png)
33433_Aa.png?classes=border)
33433_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₆H₅₁N₇O₃ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCN(O)CCCNCCCNCCCCNCCCNCCCN |
| InChI | InChI=1S/C26H51N7O3/c27-12-3-15-30-18-4-16-28-13-1-2-14-29-17-5-19-31-20-6-22-33(36)23-7-21-32-26(35)24-8-10-25(34)11-9-24/h8-11,28-31,34,36H,1-7,12-23,27H2,(H,32,35) |
| |
| Precursor 1 [M+H]⁺ | 510.41261 |
| Precursor 2 [M+2H]²⁺ | 255.70995 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 520.47538 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 261.24447 |
| Precursor HDX 3 | |
| |
| Rt | 4.60 |
| Rt HDX | 3.25 |
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 | 268.16557 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 308.19687 | 290.18630 | 291.17032 | 325.22342 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 396.29692 | 243.25432 | 226.22777 | 260.28087 |
| 5 | 436.32822 | 418.31765 | 419.30167 | 453.35477 | 300.31217 | 283.28562 | 333.33364 |
| 6 | 493.38607 | 475.37550 | 476.35952 | 510.41261 | 373.36494 | 356.33839 | 390.39149 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 121.02841 | a0 |
| 129.13862 | z2’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 510.41261 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 255.70995 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 510.41261 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 255.70995 | | 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 aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |