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4-OH-IndAc334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₇O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCCNC(N)=N)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C21H35N7O2/c22-21(23)27-12-2-1-8-24-9-4-10-25-11-5-13-26-19(30)14-16-15-28-17-6-3-7-18(29)20(16)17/h3,6-7,15,24-25,28-29H,1-2,4-5,8-14H2,(H,26,30)(H4,22,23,27) |
| |
| Precursor 1 [M+H]⁺ | 418.29250 |
| Precursor 2 [M+2H]²⁺ | 209.64989 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX [M(D₉)+D]⁺ | 428.35527 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 215.18441 |
| Precursor HDX 3 | |
| |
| Rt | 7.42 |
| Rt HDX | 5.92 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 418.29250 | 228.21827 | 211.19172 | 245.24482 |
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 | 418.29250 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 418.29250 | | 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 |