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PA3(OH)335(NMe₃)⁺
335(NMe3).png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₇H₄₂N₅O⁺ |
| CAS | — |
| SMILES | NCCCN(O)CCCNCCCNCCCCC[N+](C)(C)C |
| InChI | InChI=1S/C17H42N5O/c1-22(2,3)17-6-4-5-11-19-12-8-13-20-14-9-16-21(23)15-7-10-18/h19-20,23H,4-18H2,1-3H3/q+1 |
| |
| Precursor 1 M⁺ | 332.33839 |
| Precursor 2 [M+H]²⁺ | 166.67283 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 446.33125 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 337.36977 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 169.69166 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 452.36891 |
| |
| Rt | 1.10 |
| Rt HDX | 1.07 |
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 | 148.14444 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 188.17574 | 170.16517 | 171.14919 | 205.20229 | 242.25907 | 223.21688 | 276.28836 |
| 4 | 273.26489 | 255.25432 | 256.23834 | 332.33839 | 315.31184 | 295.26181 | 333.34621 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 332.33839 | | 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 |