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4-OH-IndAc3(OH)3
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₆H₂₄N₄O₃ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCN |
| InChI | InChI=1S/C16H24N4O3/c17-6-2-8-20(23)9-3-7-18-15(22)10-12-11-19-13-4-1-5-14(21)16(12)13/h1,4-5,11,19,21,23H,2-3,6-10,17H2,(H,18,22) |
| |
| precursor 1 [M+H]⁺ | 321.19212 |
| precursor 2 [M+2H]²⁺ | 161.09970 |
| precursor 3 | |
| |
| HDX | 6 |
| precursor HDX [M(D₆)+D]⁺ | 328.23605 |
| precursor HDX 2 [M(D₆)+2D]²⁺ | 165.12480 |
| precursor HDX 3 | |
| |
| Rt | 7.22 |
| Rt HDX | 5.69 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 58.06513 | 41.03858 | 91.08659 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 131.11789 | 114.09134 | 148.14444 |
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 | 321.19212 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 321.19212 | | 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 |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |