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PhLac343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. robustus |
| Synonym | — |
| Molecular formula | C₁₉H₃₄N₄O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCNCCCN)C(O)CC1=CC=CC=C1 |
| InChI | InChI=1S/C19H34N4O2/c20-10-6-13-21-11-4-5-12-22-14-7-15-23-19(25)18(24)16-17-8-2-1-3-9-17/h1-3,8-9,18,21-22,24H,4-7,10-16,20H2,(H,23,25) |
| |
| Precursor 1 [M+H]⁺ | 351.27545 |
| Precursor 2 [M+2H]²⁺ | 176.14136 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 358.31939 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 180.16647 |
| Precursor HDX 3 | |
| |
| Rt | 6.19 |
| Rt HDX | 5.18 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 206.11756 | 188.10699 | 189.09101 | 223.14410 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 277.19105 | 259.18049 | 260.16451 | 294.21760 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 334.24890 | 316.23834 | 317.22235 | 351.27545 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 351.27545 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | HDX | | A. robustus | Alpha Biotoxin, BEL | 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 |
|---|
| Atrax robustus | Atracidae | 2020 / Y. M. Forster |