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4-OH-Bz335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₁H₃₉N₄O₂⁺ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCNCCCNCCCCC[N+](C)(C)C |
| InChI | InChI=1S/C21H38N4O2/c1-25(2,3)18-6-4-5-13-22-14-7-15-23-16-8-17-24-21(27)19-9-11-20(26)12-10-19/h9-12,22-23H,4-8,13-18H2,1-3H3,(H-,24,26,27)/p+1 |
| |
| Precursor 1 M⁺ | 379.30675 |
| Precursor 2 [M+H]²⁺ | 190.15701 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 493.29962 |
| |
| HDX | 4 |
| Precursor HDX M(D₄)⁺ | 383.33186 |
| Precursor HDX 2 [M(D₄)+D]²⁺ | 192.67271 |
| Precursor HDX 3 [(M(D₄)+D)+CF₃CO₂]⁺ | 498.33100 |
| |
| Rt | 3.87 |
| Rt HDX | 2.94 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 320.23325 | 302.22269 | 303.20670 | 379.30675 | 242.25907 | 223.21688 | 260.29345 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 379.30675 | | 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 |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |