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4-OH-PhAcAsn533
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 464C |
| Molecular formula | C₂₃H₄₀N₆O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCN)=O)CC1=CC=C(O)C=C1 |
| InChI | InChI=1S/C23H40N6O4/c24-10-4-12-27-14-5-13-26-11-2-1-3-15-28-23(33)20(17-21(25)31)29-22(32)16-18-6-8-19(30)9-7-18/h6-9,20,26-27,30H,1-5,10-17,24H2,(H2,25,31)(H,28,33)(H,29,32) |
| |
| Precursor 1 [M+H]⁺ | 465.31838 |
| Precursor 2 [M+2H]²⁺ | 233.16283 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 475.38115 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 238.69735 |
| 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 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 391.23398 | 373.22342 | 374.20743 | 408.26053 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 448.29183 | 430.28127 | 431.26528 | 465.31838 | 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 464C | nLC-ESI-MS/MS, Amino acid analysis | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |