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IndLac333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. robustus |
| Synonym | — |
| Molecular formula | C₂₀H₃₃N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCN)C(CC1=CNC2=C1C=CC=C2)O |
| InChI | InChI=1S/C20H33N5O2/c21-8-3-9-22-10-4-11-23-12-5-13-24-20(27)19(26)14-16-15-25-18-7-2-1-6-17(16)18/h1-2,6-7,15,19,22-23,25-26H,3-5,8-14,21H2,(H,24,27) |
| |
| Precursor 1 [M+H]⁺ | 376.27070 |
| Precursor 2 [M+2H]²⁺ | 188.63899 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 384.32092 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 193.16723 |
| Precursor HDX 3 | |
| |
| Rt | 7.42 |
| Rt HDX | 6.11 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.12845 | 227.11789 | 228.10191 | 262.15500 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 302.18630 | 284.17574 | 285.15975 | 319.21285 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 376.27070 | 172.18082 | 155.15428 | 189.20737 |
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 | 376.27070 | | 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 |