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4-OH-PhAcAsn53
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 407F |
| Molecular formula | C₂₀H₃₃N₅O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCN)=O)CC1=CC=C(O)C=C1 |
| InChI | InChI=1S/C20H33N5O4/c21-9-4-11-23-10-2-1-3-12-24-20(29)17(14-18(22)27)25-19(28)13-15-5-7-16(26)8-6-15/h5-8,17,23,26H,1-4,9-14,21H2,(H2,22,27)(H,24,29)(H,25,28) |
| |
| Precursor 1 [M+H]⁺ | 408.26053 |
| Precursor 2 [M+2H]²⁺ | 204.63390 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 417.31702 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 209.66529 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 249.08698 | 231.07642 | 232.06043 | 266.11353 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 334.17613 | 316.16557 | 317.14958 | 351.20268 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 391.23398 | 373.22342 | 374.20743 | 408.26053 | 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 407F | nLC-ESI-MS/MS, Amino acid analysis | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |