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IndAc4(OH)3(OH)3
3(OH)3.png)
3(OH)3_Aa.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₀H₃₃N₅O₃ |
| CAS | — |
| SMILES | O=C(NCCCCN(O)CCCN(O)CCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C20H33N5O3/c21-9-5-12-25(28)14-6-13-24(27)11-4-3-10-22-20(26)15-17-16-23-19-8-2-1-7-18(17)19/h1-2,7-8,16,23,27-28H,3-6,9-15,21H2,(H,22,26) |
| |
| Precursor 1 [M+H]⁺ | 392.26562 |
| Precursor 2 [M+2H]²⁺ | 196.63645 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 399.30955 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 200.66155 |
| Precursor HDX 3 | |
| |
| Rt | 12.24 |
| Rt HDX | 10.30 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.13354 | 211.12297 | 212.10699 | 262.15500 | 58.06513 | 41.03858 | 91.08659 |
| 2 | 302.18630 | 284.17574 | 285.15975 | 335.20777 | 131.11789 | 114.09134 | 164.13935 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 218.18630 | 201.15975 | 235.21285 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 392.26562 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 392.26562 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | 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 |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |