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OH-OMe-Bz3(OH)335(NMe₃)⁺
335(NMe3).png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₅H₄₈N₅O₄⁺ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCC[N+](C)(C)C)C1=CC=CC=C1.CO.COC |
| InChI | InChI=1S/C24H45N5O2.C2H6O.CH4O/c1-29(2,3)22-9-5-8-15-25-16-10-17-26-18-11-20-28(31)21-12-19-27-24(30)23-13-6-4-7-14-23;1-3-2;1-2/h4,6-7,13-14,25-26,31H,5,8-12,15-22H2,1-3H3;1-2H3;2H,1H3/p+1 |
| |
| Precursor 1 M⁺ | 482.37008 |
| Precursor 2 [M+H]²⁺ | 241.68868 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 596.36295 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 4487.40147 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 244.70751 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 602.40061 |
| |
| Rt | 6.70 |
| Rt HDX | 5.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 208.09682 | 190.08626 | 191.07027 | 241.11828 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 281.14958 | 263.13902 | 264.12303 | 298.17613 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 338.20743 | 320.19687 | 321.18088 | 355.23398 | 242.25907 | 223.21688 | 276.28836 |
| 4 | 423.29658 | 405.28602 | 406.27003 | 482.37008 | 315.31184 | 295.26181 | 333.34621 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 482.37008 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 241.68868 | | 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 |