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4-OH-IndAc3(OH)34
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / div. |
| Synonym | — |
| Molecular formula | C₂₀H₃₃N₅O₃ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C20H33N5O3/c21-8-1-2-9-22-10-4-12-25(28)13-5-11-23-19(27)14-16-15-24-17-6-3-7-18(26)20(16)17/h3,6-7,15,22,24,26,28H,1-2,4-5,8-14,21H2,(H,23,27) |
| |
| Precursor 1 [M+H]⁺ | 392.26562 |
| Precursor 2 [M+2H]²⁺ | 196.63645 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 400.31583 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 201.16469 |
| Precursor HDX 3 | |
| |
| Rt | 7.12 |
| Rt HDX | 5.41 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 129.13862 | 112.11208 | 162.16009 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 202.19139 | 185.16484 | 219.21794 |
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 | 392.26562 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 392.26562 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 392.26562 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | 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 |
| Data | 392.26562 | | 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 |
|---|
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |