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TrpAsn353
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 516B |
| Molecular formula | C₂₆H₄₄N₈O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCCCNCCCN)=O)C(N)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C26H44N8O3/c27-10-6-13-30-11-4-1-5-12-31-14-7-15-32-26(37)23(17-24(29)35)34-25(36)21(28)16-19-18-33-22-9-3-2-8-20(19)22/h2-3,8-9,18,21,23,30-31,33H,1,4-7,10-17,27-28H2,(H2,29,35)(H,32,37)(H,34,36) |
| |
| Precursor 1 [M+H]⁺ | 517.36091 |
| Precursor 2 [M+2H]²⁺ | 259.18410 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX 1 [M(D₁₁)+D]⁺ | 529.43623 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 265.72489 |
| Precursor HDX 3 | |
| |
| Rt | 4.71 |
| Rt HDX | 3.72 |
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 | 358.18737 | 340.17680 | 341.16082 | 375.21392 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 443.27652 | 425.26595 | 426.24997 | 460.30306 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 500.33436 | 482.32380 | 483.30782 | 517.36091 | 314.25505 | 297.22850 | 331.28160 |
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 | 517.36091 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 259.18410 | | 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 |
|---|
| Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins | S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156 | L. patagiatus | LF 516B | nLC-ESI-MS/MS, Amino acid analysis | 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 |
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |