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4-OH-IndAc533
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. & P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCCCNCCCNCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C21H35N5O2/c22-9-5-11-24-13-6-12-23-10-2-1-3-14-25-20(28)15-17-16-26-18-7-4-8-19(27)21(17)18/h4,7-8,16,23-24,26-27H,1-3,5-6,9-15,22H2,(H,25,28) |
| |
| Precursor 1 [M+H]⁺ | 390.28635 |
| Precursor 2 [M+2H]²⁺ | 195.64681 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 398.33657 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 200.17506 |
| Precursor HDX 3 | |
| |
| Rt | 8.64 |
| Rt HDX | 7.24 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 276.17065 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 390.28635 | 200.21212 | 183.18558 | 217.23867 |
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 | 390.28635 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 390.28635 | | 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 |