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Prop3(OH)334Gu
334Gu.png)
334Gu_Ea.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₁₇H₃₉N₇O₂ |
| CAS | — |
| SMILES | NC(NCCCCNCCCNCCCN(O)CCCNC(CC)=O)=N |
| InChI | InChI=1S/C17H39N7O2/c1-2-16(25)22-13-7-15-24(26)14-6-11-21-10-5-9-20-8-3-4-12-23-17(18)19/h20-21,26H,2-15H2,1H3,(H,22,25)(H4,18,19,23) |
| |
| Precursor 1 [M+H]⁺ | 374.32380 |
| Precursor 2 [M+2H]²⁺ | 187.66554 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 383.38029 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 192.69692 |
| Precursor HDX 3 | |
| |
| Rt | 2.38 |
| Rt HDX | 1.79 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 114.09134 | 96.08078 | 97.06479 | 147.11280 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 187.14410 | 169.13354 | 170.11756 | 204.17065 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 244.20195 | 226.19139 | 227.17540 | 261.22850 | 228.21827 | 211.19172 | 261.23974 |
| 4 | 315.27545 | 297.26489 | 298.24890 | 374.32380 | 301.27104 | 284.24449 | 318.29759 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 374.32380 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 187.66554 | | 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 |