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Bz3(OH)334Gu
334Gu.png)
334Gu_Ea.png?classes=border)
334Gu_Ea_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₂₁H₃₉N₇O₂ |
| CAS | — |
| SMILES | O=C(C1=CC=CC=C1)NCCCN(O)CCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C21H39N7O2/c22-21(23)27-15-5-4-11-24-12-6-13-25-14-7-17-28(30)18-8-16-26-20(29)19-9-2-1-3-10-19/h1-3,9-10,24-25,30H,4-8,11-18H2,(H,26,29)(H4,22,23,27) |
| |
| Precursor 1 [M+H]⁺ | 422.32380 |
| Precursor 2 [M+2H]²⁺ | 211.66554 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 431.38029 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 216.69692 |
| Precursor HDX 3 | |
| |
| Rt | 7.89 |
| Rt HDX | 6.32 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 162.09134 | 144.08078 | 145.06479 | 195.11280 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 292.20195 | 274.19139 | 275.17540 | 309.22850 | 228.21827 | 211.19172 | 261.23974 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 422.32380 | 301.27104 | 284.24449 | 318.29759 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 422.32380 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 211.66554 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | 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 |