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IndLac34
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. robustus |
| Synonym | — |
| Molecular formula | C₁₈H₂₈N₄O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCN)C(CC1=CNC2=C1C=CC=C2)O |
| InChI | InChI=1S/C18H28N4O2/c19-8-3-4-9-20-10-5-11-21-18(24)17(23)12-14-13-22-16-7-2-1-6-15(14)16/h1-2,6-7,13,17,20,22-23H,3-5,8-12,19H2,(H,21,24) |
| |
| Precursor 1 [M+H]⁺ | 333.22850 |
| Precursor 2 [M+2H]²⁺ | 167.11789 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 340.27244 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 171.14300 |
| Precursor HDX 3 | |
| |
| Rt | 8.31 |
| Rt HDX | 7.04 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.12845 | 227.11789 | 228.10191 | 262.15500 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 129.13862 | 112.11208 | 146.16517 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | “indol” |
| 160.07569 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 333.22850 | | 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 |