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PhAcAsn353
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 448B |
| Molecular formula | C₂₃H₄₀N₆O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCCCNCCCN)=O)CC1=CC=CC=C1 |
| InChI | InChI=1S/C23H40N6O3/c24-11-7-14-26-12-5-2-6-13-27-15-8-16-28-23(32)20(18-21(25)30)29-22(31)17-19-9-3-1-4-10-19/h1,3-4,9-10,20,26-27H,2,5-8,11-18,24H2,(H2,25,30)(H,28,32)(H,29,31) |
| |
| Precursor 1 [M+H]⁺ | 449.32347 |
| Precursor 2 [M+2H]²⁺ | 225.16537 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 458.37996 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 230.19675 |
| Precursor HDX 3 | |
| |
| Rt | 5.48 |
| Rt HDX | 4.66 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 233.09207 | 215.08150 | 216.06552 | 250.11862 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 290.14992 | 272.13935 | 273.12337 | 307.17647 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 432.29692 | 414.28635 | 415.27037 | 449.32347 | 314.25505 | 297.22850 | 331.28160 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 449.32347 | | 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 448B | 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 |