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PA3(OH)3334Gu
3334Gu.png)
3334Gu_Ea.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₁₇H₄₂N₈O |
| CAS | — |
| SMILES | NCCCN(O)CCCNCCCNCCCNCCCCN |
| InChI | InChI=1S/C16H40N6O/c17-7-1-2-9-19-10-4-11-20-12-5-13-21-14-6-16-22(23)15-3-8-18/h19-21,23H,1-18H2 |
| |
| Precursor 1 [M+H]⁺ | 375.35543 |
| Precursor 2 [M+2H]²⁺ | 188.18136 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 386.42448 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 194.21902 |
| Precursor HDX 3 | |
| |
| Rt | 1.18 |
| Rt HDX | 1.08 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 91.08659 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 131.11789 | 113.10732 | 114.09134 | 148.14444 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 188.17574 | 170.16517 | 171.14919 | 205.20229 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 245.23359 | 227.22302 | 228.20704 | 262.26014 | 285.27612 | 268.24957 | 318.29759 |
| 5 | 316.30709 | 298.29652 | 299.28054 | 375.35543 | 358.32889 | 341.30234 | 375.35543 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 375.35543 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | 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 |