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Ac33335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₂₂H₅₁N₆O⁺ |
| CAS | — |
| SMILES | C[N+](C)(C)CCCCCNCCCNCCCNCCCNCCCNC(C)=O |
| InChI | InChI=1S/C22H50N6O/c1-22(29)27-20-11-19-26-18-10-17-25-16-9-15-24-14-8-13-23-12-6-5-7-21-28(2,3)4/h23-26H,5-21H2,1-4H3/p+1 |
| |
| Precursor 1 M⁺ | 415.41189 |
| Precursor 2 [M+H]²⁺ | 208.20958 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 529.40475 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 420.44327 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 211.22841 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 535.44241 |
| |
| Rt | 1.29 |
| Rt HDX | 1.16 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 157.13354 | 139.12297 | 140.10699 | 174.16009 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 214.19139 | 196.18082 | 197.16484 | 231.21794 | 242.25907 | 223.21688 | 260.29345 |
| 4 | 271.24924 | 253.23867 | 254.22269 | 288.27579 | 299.31692 | 279.26690 | 317.35130 |
| 5 | 356.33839 | 338.32782 | 339.31184 | 415.41189 | 356.37477 | 335.31692 | 374.40915 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 415.41189 | | 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 |