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Prop3334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₁₇H₃₉N₇O |
| CAS | — |
| SMILES | NC(NCCCCNCCCNCCCNCCCNC(CC)=O)=N |
| InChI | InChI=1S/C17H39N7O/c1-2-16(25)23-15-7-13-22-12-6-11-21-10-5-9-20-8-3-4-14-24-17(18)19/h20-22H,2-15H2,1H3,(H,23,25)(H4,18,19,24) |
| |
| Precursor 1 [M+H]⁺ | 358.32889 |
| Precursor 2 [M+2H]²⁺ | 179.66808 |
| precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 367.38538 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 184.69946 |
| Precursor HDX 3 | |
| |
| Rt | 1.75 |
| Rt HDX | 1.43 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 114.09134 | 96.08078 | 97.06479 | 131.11789 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 171.14919 | 153.13862 | 154.12264 | 188.17574 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 228.20704 | 210.19647 | 211.18049 | 245.23359 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 299.28054 | 281.26997 | 282.25399 | 358.32889 | 285.27612 | 268.24957 | 302.30267 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 358.32889 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 179.66808 | | 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 |