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Ac3(OH)3343
3343.png)
3343_Aa.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₈H₄₂N₆O₂ |
| CAS | — |
| SMILES | CC(NCCCN(O)CCCNCCCNCCCCNCCCN)=O |
| InChI | InChI=1S/C18H42N6O2/c1-18(25)23-15-7-17-24(26)16-6-14-22-13-5-12-21-10-3-2-9-20-11-4-8-19/h20-22,26H,2-17,19H2,1H3,(H,23,25) |
| |
| Precursor 1 [M+H]⁺ | 375.34420 |
| Precursor 2 [M+2H]²⁺ | 188.17574 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 383.39442 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 192.70398 |
| Precursor HDX 3 | |
| |
| Rt | 1.28 |
| Rt HDX | 1.15 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 133.09715 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 173.12845 | 155.11789 | 156.10191 | 190.15500 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 230.18630 | 212.17574 | 213.15975 | 247.21285 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 301.25980 | 283.24924 | 284.23325 | 318.28635 | 243.25432 | 226.22777 | 276.27579 |
| 5 | 358.31765 | 340.30709 | 341.29110 | 375.34420 | 316.30709 | 299.28054 | 333.33364 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 375.34420 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 375.34420 | | 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 |