Navigation :
4-OH-IndAc334
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₀H₃₃N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C20H33N5O2/c21-8-1-2-9-22-10-4-11-23-12-5-13-24-19(27)14-16-15-25-17-6-3-7-18(26)20(16)17/h3,6-7,15,22-23,25-26H,1-2,4-5,8-14,21H2,(H,24,27) |
| |
| Precursor 1 [M+H]⁺ | 376.27070 |
| Precursor 2 [M+2H]²⁺ | 188.63899 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 384.32092 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 193.16723 |
| Precursor HDX 3 | |
| |
| Rt | 5.69 |
| Rt HDX | 4.52 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 376.27070 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
| 358.26014 | bw |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 376.27070 | 4-OH-IndAc343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 376.27070 | 4-OH-IndAc343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 376.27070 | 4-OH-IndAc343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | 4-OH-IndAc343 | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |