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IndLacAsn433
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₂₅H₄₁N₇O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNCCCN)=O)C(O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C25H41N7O4/c26-9-5-11-29-13-6-12-28-10-3-4-14-30-24(35)21(16-23(27)34)32-25(36)22(33)15-18-17-31-20-8-2-1-7-19(18)20/h1-2,7-8,17,21-22,28-29,31,33H,3-6,9-16,26H2,(H2,27,34)(H,30,35)(H,32,36) |
| |
| Precursor 1 [M+H]⁺ | 504.32928 |
| Precursor 2 [M+2H]²⁺ | 252.66828 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 515.39832 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 258.70594 |
| Precursor HDX 3 | |
| |
| Rt | 8.64 |
| Rt HDX | 7.29 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 302.11353 | 284.10297 | 285.08698 | 319.14008 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 373.18703 | 355.17647 | 356.16048 | 390.21358 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 430.24488 | 412.23432 | 413.21833 | 447.27143 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 487.30273 | 469.29217 | 470.27618 | 504.32928 | 300.23940 | 283.21285 | 317.26595 |
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 | 504.32928 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 252.66828 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | Spider Pharm, USA | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |