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TrpAsn433
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₂₅H₄₂N₈O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNCCCN)=O)C(N)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C25H42N8O3/c26-9-5-11-30-13-6-12-29-10-3-4-14-31-25(36)22(16-23(28)34)33-24(35)20(27)15-18-17-32-21-8-2-1-7-19(18)21/h1-2,7-8,17,20,22,29-30,32H,3-6,9-16,26-27H2,(H2,28,34)(H,31,36)(H,33,35) |
| |
| Precursor 1 [M+H]⁺ | 503.34526 |
| Precursor 2 [M+2H]²⁺ | 252.17627 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX 1 [M(D₁₁)+D]⁺ | 515.42058 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 258.71707 |
| Precursor HDX 3 | |
| |
| Rt | 4.96 |
| Rt HDX | 3.93 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 301.12952 | 283.11895 | 284.10297 | 318.15607 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 372.20302 | 354.19245 | 355.17647 | 389.22957 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 429.26087 | 411.25030 | 412.23432 | 446.28741 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 486.31871 | 468.30815 | 469.29217 | 503.34526 | 300.23940 | 283.21285 | 317.26595 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | “indol” |
| 159.09167 | a’ |
| 170.06004 | c0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 503.34582 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 252.17682 | | 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 |