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Bz3(OH)3343
3343.png)
3343_Aa.png?classes=border)
3343_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCNCCCN)C1=CC=CC=C1 |
| InChI | InChI=1S/C23H44N6O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-18-8-20-29(31)21-9-19-28-23(30)22-10-2-1-3-11-22/h1-3,10-11,25-27,31H,4-9,12-21,24H2,(H,28,30) |
| |
| Precursor 1 [M+H]⁺ | 437.35985 |
| Precursor 2 [M+2H]²⁺ | 219.18356 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 445.41007 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 223.71181 |
| Precursor HDX 3 | |
| |
| Rt | 6.49 |
| Rt HDX | 5.10 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 162.09134 | 144.08078 | 145.06479 | 195.11280 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 292.20195 | 274.19139 | 275.17540 | 309.22850 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 380.30200 | 243.25432 | 226.22777 | 276.27579 |
| 5 | 420.33330 | 402.32274 | 403.30675 | 437.35985 | 316.30709 | 299.28054 | 333.33364 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 105.03349 | a0 |
| 115.12297 | z2’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 437.35985 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 219.18356 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 437.35985 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 437.35985 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 437.35985 | | 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 aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |