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Phe3334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₃H₄₄N₈O |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCNCCCCNC(N)=N)C(CC1=CC=CC=C1)N |
| InChI | InChI=1S/C23H44N8O/c24-21(19-20-9-2-1-3-10-20)22(32)30-18-8-16-29-15-7-14-28-13-6-12-27-11-4-5-17-31-23(25)26/h1-3,9-10,21,27-29H,4-8,11-19,24H2,(H,30,32)(H4,25,26,31) |
| |
| Precursor 1 [M+H]⁺ | 449.37108 |
| Precursor 2 [M+2H]²⁺ | 225.18918 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 460.44013 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 231.22684 |
| Precursor HDX 3 | |
| |
| Rt | 4.63 |
| Rt HDX | 3.61 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 205.13354 | 187.12297 | 188.10699 | 222.16009 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 262.19139 | 244.18082 | 245.16484 | 279.21794 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 319.24924 | 301.23867 | 302.22269 | 336.27579 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 390.32274 | 372.31217 | 373.29619 | 449.37108 | 285.27612 | 268.24957 | 302.30267 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 449.37108 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 225.18918 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 449.37108 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 225.18918 | | 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 |