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4-OH-IndAc3(OH)4
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₇H₂₆N₄O₃ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C17H26N4O3/c18-7-1-2-9-21(24)10-4-8-19-16(23)11-13-12-20-14-5-3-6-15(22)17(13)14/h3,5-6,12,20,22,24H,1-2,4,7-11,18H2,(H,19,23) |
| |
| Precursor 1 [M+H]⁺ | 335.20777 |
| Precursor 2 [M+2H]²⁺ | 168.10752 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 342.25170 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 172.13263 |
| Precursor HDX 3 | |
| |
| Rt | 8.72 |
| Rt HDX | 7.09 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 72.08078 | 55.05423 | 105.10224 |
| 2 | 318.18122 | 300.17065 | 301.15467 | 335.20777 | 145.13354 | 128.10699 | 162.16009 |
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 | 335.20777 | 4-OH-IndAc4(OH)3 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc4(OH)3 | A. aperta | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / A. aperta |