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PhAcAsn53
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 391F |
| Molecular formula | C₂₀H₃₃N₅O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCN)=O)CC1=CC=CC=C1 |
| InChI | InChI=1S/C20H33N5O3/c21-10-7-12-23-11-5-2-6-13-24-20(28)17(15-18(22)26)25-19(27)14-16-8-3-1-4-9-16/h1,3-4,8-9,17,23H,2,5-7,10-15,21H2,(H2,22,26)(H,24,28)(H,25,27) |
| |
| Precursor 1 [M+H]⁺ | 392.26562 |
| Precursor 2 [M+2H]²⁺ | 196.63645 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 400.31583 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 201.16469 |
| 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 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 257.19720 | 240.17065 | 274.22375 |
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 391F | nLC-ESI-MS/MS, Amino acid analysis | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |