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Ac3335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₉H₄₄N₅O⁺ |
| CAS | — |
| SMILES | CC(NCCCNCCCNCCCNCCCCC[N+](C)(C)C)=O |
| InChI | InChI=1S/C19H43N5O/c1-19(25)23-17-10-16-22-15-9-14-21-13-8-12-20-11-6-5-7-18-24(2,3)4/h20-22H,5-18H2,1-4H3/p+1 |
| |
| Precursor 1 M⁺ | 358.35404 |
| Precursor 2 [M+H]²⁺ | 179.68066 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 472.34690 |
| |
| HDX | 4 |
| Precursor HDX 1 M(D₄)⁺ | 362.37914 |
| Precursor HDX 2 [M(D₄)+D]²⁺ | 182.19635 |
| Precursor HDX 3 [(M(D₄)+D)+CF₃CO₂]⁺ | 477.37829 |
| |
| Rt | 1.25 |
| Rt HDX | 1.17 |
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 | 299.28054 | 281.26997 | 282.25399 | 358.35404 | 299.31692 | 279.26690 | 317.35130 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 99.09167 | ta1-H₂O |
| 126.12773 | z2-NMe₃ |
| 183.18558 | z3-NMe₃ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 358.35404 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 358.35404 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 179.68066 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 358.35404 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 358.35404 | | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |