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4-OH-IndAc3
General Description
| Name | Value |
|---|
| level | S-3 / C-1 |
| first mention | 2020 / E. agrestis & P. luctuosa |
| alternative name(s) | — |
| molecular formula | C₁₃H₁₇N₃O₂ |
| CAS | 1798547-88-2 |
| SMILES | O=C(NCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C13H17N3O2/c14-5-2-6-15-12(18)7-9-8-16-10-3-1-4-11(17)13(9)10/h1,3-4,8,16-17H,2,5-7,14H2,(H,15,18) |
| |
| precursor 1 [M+H]⁺ | 248.13935 |
| precursor 2 [M+2H]²⁺ | 124.57331 |
| precursor 3 | |
| |
| HDX | 5 |
| precursor HDX [M(D₅)+D]⁺ | 254.17701 |
| precursor HDX 2 [M(D₅)+2D]²⁺ | 128.09528 |
| precursor HDX 3 | |
| |
| Rt | 7.27 |
| Rt HDX | 6.13 |
MS/MS fragments calculated
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 231.11335 | 58.06513 | 41.03858 | 75.09167 |
Additional characteristic MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 248.13935 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 248.13935 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Titel | 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 |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |