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PA3335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₇H₄₂N₅⁺ |
| CAS | — |
| SMILES | NCCCNCCCNCCCNCCCCC[N+](C)(C)C |
| InChI | InChI=1S/C17H42N5/c1-22(2,3)17-6-4-5-11-19-13-8-15-21-16-9-14-20-12-7-10-18/h19-21H,4-18H2,1-3H3/q+1 |
| |
| Precursor 1 M⁺ | 316.34347 |
| Precursor 2 [M+H]²⁺ | 158.67537 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 430.33634 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 321.37486 |
| Precursor HDX 2 [M(D₅)+D]⁺²⁺ | 161.69420 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 436.37400 |
| |
| 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 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 115.12297 | 97.11241 | 98.09643 | 132.14952 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 172.18082 | 154.17026 | 155.15428 | 189.20737 | 242.25907 | 223.21688 | 260.29345 |
| 4 | 257.26997 | 239.25941 | 240.24342 | 316.34347 | 299.31692 | 279.26690 | 317.35130 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 316.34347 | | 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 |
|---|
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |