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4-OH-IndAc4Gu
General Description
| Name | Value |
|---|
| level | S-3 / C-1 |
| first mention | 2020 / E. agrestis & P. luctuosa |
| alternative name(s) | — |
| molecular formula | C₁₅H₂₁N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCCNC(N)=N)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C15H21N5O2/c16-15(17)19-7-2-1-6-18-13(22)8-10-9-20-11-4-3-5-12(21)14(10)11/h3-5,9,20-21H,1-2,6-8H2,(H,18,22)(H4,16,17,19) |
| |
| precursor 1 [M+H]⁺ | 304.17680 |
| precursor 2 [M+2H]²⁺ | 152.59204 |
| precursor 3 | |
| |
| HDX | 7 |
| precursor HDX [M(D₇)+D]⁺ | 312.22702 |
| precursor HDX 2 [M(D₇)+2D]²⁺ | 157.12028 |
| precursor HDX 3 | |
| |
| Rt | 12.17 |
| Rt HDX | 10.54 |
MS/MS fragments calculated
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.12845 | 227.11789 | 228.10191 | 287.15080 | 114.10257 | 97.07602 | 131.12912 |
Additional characteristic MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 304.17680 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 304.17680 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Titel | 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 |