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PhAcAsn533
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 448C |
| Molecular formula | C₂₃H₄₀N₆O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCN)=O)CC1=CC=CC=C1 |
| InChI | InChI=1S/C23H40N6O3/c24-11-7-13-27-15-8-14-26-12-5-2-6-16-28-23(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 | |
| Rt HDX | |
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 | 318.18122 | 300.17065 | 301.15467 | 335.20777 | 115.12297 | 98.09643 | 132.14952 |
| 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 |
|---|
| | | | | |
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 448C | nLC-ESI-MS/MS, Amino acid analysis | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |