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PA334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₁H₂₈N₆ |
| CAS | — |
| SMILES | NCCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C11H28N6/c12-5-3-7-16-9-4-8-15-6-1-2-10-17-11(13)14/h15-16H,1-10,12H2,(H4,13,14,17) |
| |
| Precursor 1 [M+H]⁺ | 245.24482 |
| Precursor 2 [M+2H]²⁺ | 123.12605 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 254.30131 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 128.15743 |
| Precursor HDX 3 | |
| |
| Rt | 1.08 |
| Rt HDX | 1.06 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 75.09167 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 115.12297 | 97.11241 | 98.09643 | 132.14952 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 186.19647 | 168.18591 | 169.16993 | 245.24482 | 228.21827 | 211.19172 | 245.24482 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 245.24482 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 245.24482 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | 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 |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |