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PA3(OH)3(OH)35(NMe₃)⁺
3(OH)35(NMe3).png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. potteri & Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₇H₄₂N₅O₂⁺ |
| CAS | — |
| SMILES | NCCCN(O)CCCN(O)CCCNCCCCC[N+](C)(C)C |
| InChI | InChI=1S/C17H42N5O2/c1-22(2,3)17-6-4-5-11-19-12-8-14-21(24)16-9-15-20(23)13-7-10-18/h19,23-24H,4-18H2,1-3H3/q+1 |
| |
| Precursor 1 M⁺ | 348.33330 |
| Precursor 2 [M+H]²⁺ | 174.67029 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 462.32617 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 353.36469 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 177.68912 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 468.36383 |
| |
| Rt | 1.23 |
| Rt HDX | 1.14 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 91.08659 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 131.11789 | 113.10732 | 114.09134 | 164.13935 | 185.20123 | 167.16685 | 219.23051 |
| 3 | 204.17065 | 186.16009 | 187.14410 | 221.19720 | 258.25399 | 239.21179 | 292.28328 |
| 4 | 289.25980 | 271.24924 | 272.23325 | 348.33330 | 331.30675 | 311.25673 | 349.34113 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 348.33330 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 348.33330 | | 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 sp. | Agelenidae | 2020 / Y. M. Forster |