Navigation :
4-OH-IndAc5(NMe₃)⁺
.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. & P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₈H₂₈N₃O₂⁺ |
| CAS | — |
| SMILES | C[N+](C)(C)CCCCCNC(CC1=CNC2=C1C(O)=CC=C2)=O |
| InChI | InChI=1S/C18H27N3O2/c1-21(2,3)11-6-4-5-10-19-17(23)12-14-13-20-15-8-7-9-16(22)18(14)15/h7-9,13,20H,4-6,10-12H2,1-3H3,(H-,19,22,23)/p+1 |
| |
| Precursor 1 M⁺ | 318.21760 |
| Precursor 2 [M+H]²⁺ | 159.61244 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 432.21047 |
| |
| HDX | 3 |
| Precursor HDX M(D₃)⁺ | 321.23643 |
| Precursor HDX 2 [M(D₃)+D]²⁺ | 161.62499 |
| Precursor HDX 3 [(M(D₃)+D)+CF₃CO₂]⁺ | 436.23557 |
| |
| Rt | 12.06 |
| Rt HDX | 10.67 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 301.19160 | 128.14338 | 111.11683 | 146.17775 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 318.21760 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 318.21760 | | 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 |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |