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Ac33343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / div. |
| Synonym | — |
| Molecular formula | C₁₈H₄₂N₆O |
| CAS | — |
| SMILES | CC(NCCCNCCCNCCCNCCCCNCCCN)=O |
| InChI | InChI=1S/C18H42N6O/c1-18(25)24-17-7-16-23-15-6-14-22-13-5-12-21-10-3-2-9-20-11-4-8-19/h20-23H,2-17,19H2,1H3,(H,24,25) |
| |
| Precursor 1 [M+H]⁺ | 359.34929 |
| Precursor 2 [M+2H]²⁺ | 180.17828 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 367.39950 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 184.70653 |
| Precursor HDX 3 | |
| |
| Rt | 1.14 |
| Rt HDX | 1.09 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 157.13354 | 139.12297 | 140.10699 | 174.16009 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 214.19139 | 196.18082 | 197.16484 | 231.21794 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 285.26489 | 267.25432 | 268.23834 | 302.29144 | 243.25432 | 226.22777 | 260.28087 |
| 5 | 342.32274 | 324.31217 | 325.29619 | 359.34929 | 300.31217 | 283.28562 | 317.33872 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 359.34929 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 359.34929 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 359.34929 | | 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 potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |